#DEFINITION	Reference Metabolome for Nymphaea tetragona
#IDENTTFIER	RefMeta-Nymphaea tetragona.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Nymphaea tetragona
#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 Nymphaea tetragona was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.27119	0.7
55.01870	0.9
55.05497	1.6
56.96566	0.7
57.07053	0.9
67.05484	2.6
69.03418	7.4
69.07069	3.8
70.06586	0.9
70.28151	3.4
71.04973	2.4
79.01853	3.6
79.05481	2.4
81.03419	6.1
81.07066	5.9
83.04962	5.3
83.08591	1.8
85.02897	3.7
91.05459	2.8
93.07038	4.3
95.04945	1.6
95.08601	11.6
97.02883	5.5
97.06519	1.8
99.08074	3.1
100.59367	0.7
105.07040	2.9
107.01297	1.8
107.04945	1.2
107.08587	18.2
109.02868	4.2
109.06503	3.5
109.10152	7.6
111.08078	2.2
119.08587	3.1
121.06489	1.7
121.10139	17.6
123.08052	2.3
123.11697	1.9
125.02304	4.1
125.09655	5.4
127.03935	6.5
131.08516	2.1
133.10124	5.9
135.08052	6.6
135.11684	3.0
137.09590	4.9
139.11168	1.5
143.03384	6.0
145.04950	1.1
145.10106	1.1
147.11690	5.3
149.09610	6.2
149.13261	8.6
151.11177	39.0
152.11531	0.8
153.01822	100.0
153.09019	1.2
154.02156	1.4
158.10930	1.4
159.11743	0.9
162.67783	0.7
163.14816	7.1
165.12766	3.9
171.02878	11.1
173.13237	7.2
183.26508	0.9
191.14301	41.6
192.14597	0.9
209.15359	32.3
209.17358	1.6
247.82318	0.8
297.05975	6.5
303.01346	1.0
307.26398	0.9
315.07047	6.8
323.00552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.108
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.90790	0.4
53.03929	1.0
55.01860	0.7
57.03413	1.3
59.55669	0.4
61.02917	1.8
67.05479	0.4
68.99781	1.1
69.03421	6.0
70.20654	0.4
71.01351	0.5
71.04987	1.0
71.59760	0.7
73.02906	2.8
81.03404	4.9
81.07033	1.0
85.02415	0.7
85.02896	8.8
86.09707	0.5
91.05453	0.4
93.06981	0.4
95.08604	0.6
97.02884	2.8
99.04429	2.0
109.02872	4.8
109.10172	0.5
111.00795	1.8
111.04451	0.4
114.64862	0.3
115.03904	1.1
116.45431	0.4
117.26092	0.4
121.10189	0.4
126.03203	0.4
127.03902	7.6
133.04942	0.4
133.06422	0.4
135.11674	0.4
135.91093	0.4
137.02344	2.1
145.04938	2.7
147.04404	0.5
151.03864	0.6
153.01822	11.4
161.05818	0.5
165.01819	3.4
167.07031	0.5
177.05461	0.5
179.03416	1.9
183.02838	1.2
187.06024	4.6
187.07524	0.7
189.05452	0.9
195.02913	0.8
203.03375	0.6
205.06935	1.1
207.02930	0.4
217.04924	3.5
221.04370	0.6
227.03326	0.8
231.02777	0.6
232.03577	0.6
235.02307	0.4
235.06152	0.4
245.04404	4.8
255.02901	0.7
263.05493	0.8
273.03909	5.5
290.04269	1.2
301.03412	1.5
319.04456	100.0
320.04828	2.0
329.03018	0.6
343.04709	0.5
361.05643	0.5
385.05640	0.7
406.57657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2166
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
52.03178	1.7
53.03917	1.4
55.92902	1.5
63.55453	1.6
67.05495	2.2
69.03419	7.6
69.07052	3.7
70.06582	10.7
71.51662	3.1
76.22608	1.5
79.01859	2.3
79.05492	6.0
80.28297	1.4
81.03409	5.8
81.07047	9.2
83.04967	2.2
85.02894	5.6
85.03365	1.5
91.05470	5.7
93.07061	4.4
97.02879	4.8
105.07046	8.0
107.01288	1.8
107.04937	3.8
107.08585	21.0
109.02868	5.0
109.06519	5.1
109.10125	7.2
119.08536	4.0
120.08104	3.2
121.10123	10.2
122.07269	6.4
125.02293	3.2
127.03931	8.6
131.08575	1.9
133.10118	90.9
134.10445	2.0
135.08038	8.1
137.09601	53.0
143.03372	3.9
149.13242	8.3
153.01813	100.0
160.32155	1.5
163.14798	3.6
171.02859	14.3
173.13231	6.4
191.14284	52.6
209.12791	1.8
209.15344	2.7
229.15546	2.7
232.25673	1.8
244.15019	1.6
297.05930	5.2
315.07086	11.6
319.04486	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	522.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.6
53.51343	5.1
55.05492	15.9
57.03423	4.2
57.07065	10.6
62.74984	4.6
67.05498	21.6
69.03414	5.7
69.07057	48.9
69.42762	34.3
71.04979	5.6
79.05478	6.9
80.44427	3.7
81.07043	54.3
83.08598	28.2
85.02895	11.3
85.10158	4.3
87.04445	5.2
91.05460	16.0
93.07037	100.0
95.04959	34.1
95.08591	45.8
97.06543	6.9
97.10153	6.5
98.20714	4.9
105.06995	19.0
107.08579	20.7
109.10155	27.5
111.08073	17.0
113.38647	4.2
119.08565	10.8
120.08041	6.0
121.10133	25.7
123.11700	27.4
125.09595	7.0
128.96805	3.9
133.10078	7.7
135.11652	5.3
137.13217	5.8
145.10118	5.2
146.72615	4.1
147.11620	10.0
149.13219	18.6
155.03540	4.0
159.11685	8.3
161.13190	5.4
167.14322	8.8
170.49480	4.0
175.14886	5.8
185.15416	8.3
209.77943	5.0
271.24197	11.0
272.14603	6.8
289.25156	23.9
295.26196	28.4
307.26273	97.5
325.27380	28.5
523.27991	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	522.3549
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.78059	0.4
55.05499	1.6
56.05024	1.4
57.07071	0.6
58.06604	1.4
59.07358	0.5
60.08158	17.5
67.05506	2.1
69.07056	1.6
69.33309	1.8
69.33736	2.4
71.07369	8.1
76.75168	0.4
79.05489	0.6
81.07040	1.8
83.08614	1.5
84.21635	0.4
86.09698	55.6
93.07024	0.6
95.08595	1.2
98.19590	0.5
98.48341	0.4
98.98458	4.5
104.10736	100.0
112.64375	0.4
124.99998	29.7
163.01482	0.9
172.95180	0.5
184.07329	99.3
232.70421	0.4
258.11053	1.3
269.08002	0.4
339.28864	1.1
373.78244	0.5
470.48090	0.5
504.34488	8.4
509.24197	0.5
522.35510	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.05504	15.2
57.07077	4.0
67.05504	15.1
69.03404	4.6
69.07059	41.6
69.42078	24.5
71.04976	3.2
79.05466	8.3
81.07050	43.7
83.08618	19.3
85.06528	6.3
91.05455	14.0
91.89723	2.5
93.07040	100.0
93.07623	6.5
94.07385	3.9
95.04968	23.5
95.08594	37.7
97.06535	6.9
97.10179	4.6
105.07021	13.5
107.08589	24.0
109.06507	3.9
109.10172	19.9
111.08071	11.4
111.11692	2.8
119.08562	7.4
121.10129	30.3
123.08063	6.3
123.11669	16.5
125.09616	4.3
131.08524	3.9
133.10106	4.5
135.11646	8.0
139.11166	5.8
145.10083	3.4
147.11674	7.9
149.09613	5.1
149.13245	10.4
151.11179	3.2
153.01752	2.5
159.11664	6.5
161.13197	6.2
163.11124	4.1
163.14864	4.2
167.14180	4.3
173.13179	2.6
185.15326	7.1
188.44164	2.7
191.17970	3.0
194.22150	2.9
209.19115	3.9
215.17911	2.9
267.60880	2.7
271.24252	13.3
279.40607	3.1
289.25314	23.3
295.26135	12.7
307.23007	4.8
307.26315	76.4
307.29898	3.6
325.27396	40.3
398.13998	3.2
405.13538	4.2
466.18579	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	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24066	0.1
51.15946	0.1
55.05501	0.4
56.05022	0.5
57.03422	0.2
57.07063	0.2
58.06625	0.4
59.07388	0.1
60.08155	6.5
63.04695	0.1
67.05496	0.3
68.65138	0.1
69.07042	0.4
70.06591	0.2
70.11022	0.2
70.11436	0.3
71.07364	2.8
79.05471	0.2
79.69693	0.1
81.07044	0.3
83.08605	0.3
86.09694	31.3
87.06589	0.1
87.09995	0.1
92.18363	0.1
92.97867	0.1
93.07020	0.2
95.08598	0.2
97.00839	0.1
97.30176	0.1
98.97901	0.1
98.98445	2.9
104.10728	3.2
104.12151	0.1
107.08572	0.1
109.45596	0.1
112.35013	0.1
121.10099	0.2
124.99988	22.2
143.01054	0.3
154.94109	0.2
166.02551	0.1
172.95238	0.5
174.79657	0.1
177.86981	0.1
184.07315	100.0
185.07602	0.4
190.96259	0.2
193.14621	0.1
195.96713	0.1
227.23483	0.1
228.97803	0.2
252.84384	0.1
258.11078	0.2
280.06732	0.1
329.64395	0.1
339.28790	0.2
374.48331	0.1
447.86365	0.1
466.19464	0.2
504.34656	0.9
522.22498	0.2
522.35437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
56.05022	0.7
57.03429	1.9
57.07057	0.4
58.06351	0.3
58.06606	0.7
60.08159	8.5
61.08499	1.7
67.05499	7.4
67.05866	0.5
69.07058	4.3
71.07359	4.4
71.17448	0.6
72.07056	0.3
72.07696	1.0
79.05482	2.1
81.07050	5.7
82.07394	0.3
83.08614	2.3
86.09695	39.3
87.09409	1.1
87.10021	11.1
88.03986	1.8
88.10342	0.8
91.05457	1.7
93.07034	1.7
95.08599	4.6
97.06538	0.4
97.10152	1.2
98.98456	6.1
100.98911	0.7
104.10725	3.5
105.07019	1.1
105.11075	1.3
106.05047	0.4
107.08583	1.3
109.10139	1.8
112.39079	0.3
119.08556	0.8
121.10133	0.8
123.11658	1.0
124.93745	2.0
124.99989	27.7
126.00327	4.3
127.00410	5.7
133.10091	0.7
135.11716	0.3
142.94786	0.3
143.01035	0.5
147.11761	0.3
163.14940	0.3
167.97952	1.4
184.07317	100.0
185.07677	39.0
185.99078	0.4
186.07764	26.5
204.33745	0.3
262.58813	0.3
263.23587	0.5
266.45154	0.3
287.99194	0.3
337.27322	25.8
338.27652	1.0
350.26828	0.5
461.20422	0.5
504.33249	1.2
522.25336	4.0
522.34302	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	522.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.9
69.03403	1.3
69.51089	3.9
69.51495	1.1
72.90730	0.6
79.05474	0.7
81.03417	1.1
81.07024	0.9
84.70088	0.5
85.02863	2.3
91.05459	1.7
97.02874	0.8
98.20747	1.3
99.26482	0.6
105.07014	1.7
107.04928	1.1
109.02887	0.8
117.03352	1.7
119.08604	0.7
121.06490	1.3
123.04427	0.7
127.53575	0.5
129.06972	0.7
131.04916	1.6
131.08495	0.8
133.06451	2.4
134.06737	1.1
137.05946	7.9
138.06750	1.8
147.04362	1.0
148.05203	0.8
149.05945	1.4
150.06726	1.3
151.03900	0.6
151.07547	0.7
153.01811	1.3
161.05978	10.5
161.09593	2.3
162.06778	3.6
163.07455	0.9
163.11128	0.6
164.08267	1.3
165.06996	2.6
166.07756	0.7
167.08511	1.7
174.06763	1.9
175.07594	1.2
177.05438	0.7
177.09038	0.9
178.07748	1.8
179.08525	0.7
181.06290	0.6
182.07213	0.8
189.09058	4.5
191.08578	1.0
193.06410	1.1
193.10107	1.2
194.07285	1.6
195.08028	4.5
202.07678	0.6
203.08575	1.4
205.06509	1.9
206.07204	1.9
207.08032	2.2
207.10152	8.4
210.06755	1.3
210.10216	0.7
211.07477	1.6
212.08330	0.7
219.08003	1.5
220.08765	2.8
221.05980	2.2
221.09521	3.1
222.06645	1.0
223.07529	4.7
224.08234	1.2
225.09079	3.4
231.07991	1.3
234.06592	1.5
235.07549	1.7
237.05432	1.0
237.08943	3.0
238.06267	1.4
238.09804	3.3
239.07040	1.8
240.07895	3.0
241.08649	1.0
248.08281	3.8
249.05771	0.6
249.09026	2.5
250.06352	0.8
250.09926	1.0
251.06940	2.5
251.11037	0.6
252.07640	1.0
253.08563	6.0
255.10126	1.7
263.10638	0.9
264.07703	0.7
265.08572	6.7
266.09314	8.4
267.06674	0.8
267.10123	1.9
268.07248	2.6
277.08575	1.6
280.11038	0.7
281.08090	4.4
281.11630	2.6
282.08685	0.9
282.12436	1.3
283.09692	6.1
283.12784	1.1
285.11093	1.4
286.11911	2.4
292.10675	0.8
294.08868	1.8
297.11182	3.7
298.11847	3.2
299.12717	2.6
309.11081	5.3
310.11942	11.8
311.12729	8.0
327.12231	44.1
328.12390	0.7
329.13766	4.2
330.14548	12.5
341.13867	2.4
342.14569	100.0
343.15167	0.8
344.16113	0.8
522.25031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17034	1.4
51.77663	1.4
55.05497	2.1
56.96562	9.5
67.05500	3.0
68.15578	1.5
69.07052	2.8
71.59541	1.3
71.59983	1.2
75.70743	1.3
76.47713	1.2
79.05485	1.7
81.07042	2.4
83.08589	1.8
93.07021	2.2
95.08622	2.0
97.10127	1.8
102.92583	2.2
136.93135	5.9
154.94138	27.2
172.95216	100.0
184.07356	3.3
190.96263	67.9
195.96812	12.9
210.97484	6.9
212.98282	1.5
213.97751	7.0
228.97821	33.7
230.99359	4.1
246.98856	27.1
251.99487	3.3
264.09595	1.6
270.00616	3.0
285.00516	7.6
291.60599	1.7
303.01489	8.0
311.18927	4.6
311.25806	1.9
326.03131	2.3
329.19977	4.1
391.15543	3.9
429.17261	1.5
447.18149	16.7
465.19238	34.4
483.20441	1.6
521.21838	50.5
537.95923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60331	1.2
55.01868	2.7
55.05512	10.5
56.25153	1.3
56.46184	1.1
57.03443	1.9
57.06814	2.1
57.07074	24.8
62.55291	1.3
66.12411	1.1
67.05502	19.2
69.07065	7.1
69.30241	12.1
71.04996	2.3
71.08630	15.2
79.05489	15.6
81.03448	1.8
81.07054	20.0
83.04971	2.4
83.08621	12.5
85.10171	7.5
91.05491	5.2
93.07040	25.4
95.04976	4.1
95.08607	35.5
97.02892	1.6
97.06526	2.4
97.10193	3.8
99.04482	2.3
105.07032	7.1
107.04965	5.8
107.08594	21.5
109.06476	1.4
109.10178	7.6
117.06969	6.3
119.08567	5.9
121.06512	3.6
121.10151	9.9
123.11707	2.1
130.07854	1.6
133.10098	1.8
135.08110	1.6
135.11690	34.3
145.10123	18.6
163.11172	46.9
181.12193	10.9
204.84137	1.3
209.11775	2.0
227.12775	100.0
239.23755	3.0
386.62469	1.4
426.56543	1.4
465.12961	1.4
521.38403	51.7
522.38733	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	521.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35609	0.5
62.98259	6.3
70.40833	1.0
70.41232	1.0
84.36172	0.4
88.99802	3.6
104.99241	1.2
116.99246	0.6
118.97182	7.4
128.95145	0.5
132.98737	5.3
153.00063	0.7
154.97893	0.5
160.98198	2.0
163.66687	0.5
165.00050	0.7
178.00838	1.2
178.99260	75.9
185.04208	12.7
196.99062	1.8
203.05249	28.8
215.00098	1.2
224.90732	0.5
239.00108	9.3
251.00099	3.0
257.01205	0.6
269.01151	1.3
299.02246	0.8
301.22650	0.4
338.81097	0.5
365.10519	100.0
366.10834	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	521.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
55.05499	1.5
62.97313	0.7
69.03426	7.2
69.07033	0.9
69.41376	6.6
72.87943	0.7
76.02210	1.5
76.72682	0.8
79.01828	1.1
79.05488	12.0
81.03417	2.6
81.07060	1.8
83.04977	2.9
83.08582	1.0
85.02887	2.6
91.05474	4.2
93.07027	1.6
95.04962	4.6
95.08585	1.1
97.02896	2.4
103.05444	4.1
105.07018	8.1
107.04955	0.9
107.08581	3.9
109.02869	1.1
109.06483	1.1
109.10209	1.0
117.07014	1.2
118.39799	0.9
119.04948	1.4
119.08570	3.7
121.06507	5.6
121.10139	1.6
123.08085	1.2
125.02346	1.4
127.03903	2.2
131.04846	0.9
131.08536	1.6
133.06482	100.0
133.10091	2.0
135.08043	2.1
137.05975	5.0
138.48926	0.8
143.03375	2.1
145.06465	0.9
147.08041	3.2
147.11655	1.5
149.09602	1.1
151.07523	2.5
153.01822	38.0
153.02817	1.3
158.10840	1.0
159.08058	1.3
161.09573	1.3
163.11166	7.1
167.07043	2.9
171.02913	1.9
171.11658	0.8
173.13216	2.1
177.05409	0.9
189.12730	26.2
191.14287	14.9
207.13788	15.1
238.94638	0.9
297.06052	2.7
307.09802	0.9
315.07001	2.8
329.37927	0.9
373.18167	1.1
374.18240	3.1
396.42609	0.9
521.24817	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	520.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27466	3.6
55.05501	6.1
57.07061	4.9
58.06334	3.7
67.05511	19.6
69.03423	8.2
69.07062	19.2
71.04990	11.9
71.21312	9.0
79.05488	10.0
81.07057	100.0
83.08629	7.3
85.02910	6.1
91.05489	8.6
93.07044	61.2
95.04968	76.2
95.08604	82.2
95.75817	3.6
97.02911	5.9
97.06536	5.0
105.07021	25.4
107.08595	19.8
109.06507	9.4
109.10141	23.2
111.08047	6.2
116.71420	3.9
119.08591	18.9
121.10109	19.7
123.11728	29.3
127.11125	5.5
129.97426	4.4
131.08575	7.7
133.10158	11.4
135.11682	8.2
137.13254	80.1
141.12776	13.3
145.10143	8.6
147.11679	32.6
149.13213	7.0
153.12729	4.2
154.21584	4.1
157.10175	11.5
159.11694	24.8
161.13293	11.8
165.12750	23.2
167.10739	5.3
171.11713	9.7
173.13287	10.1
175.14891	5.8
183.13818	7.0
192.44023	4.5
199.14780	8.1
201.14815	9.0
201.16457	13.4
213.16418	11.5
234.02116	4.1
269.22760	10.5
277.25183	6.2
287.23737	60.6
293.24799	12.6
303.80103	3.7
305.24817	53.3
311.25867	7.2
323.25839	12.0
446.32745	5.3
479.17154	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	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.05509	1.0
55.11916	0.2
56.05022	1.0
57.03431	0.6
58.06564	1.0
59.07365	0.4
60.08157	15.8
67.05501	2.5
68.00202	0.2
69.07064	1.0
69.37378	1.8
71.07366	5.9
76.10896	0.2
79.05476	0.7
81.07043	3.0
83.08609	0.5
86.09696	47.8
87.10027	0.2
91.05462	0.6
93.07035	0.6
93.98025	0.2
95.08591	1.5
98.21583	0.3
98.98458	3.8
104.10732	86.4
105.07008	0.3
105.11065	0.3
107.08569	0.3
109.10137	0.5
115.63859	0.2
119.08588	0.2
121.10128	0.2
123.11712	0.2
124.99991	26.9
128.52556	0.2
133.10110	0.2
143.01015	0.3
163.01511	0.5
171.22755	0.2
179.37439	0.2
181.02592	0.2
184.07318	100.0
185.07774	0.3
200.81219	0.2
223.90872	0.2
258.10992	0.9
285.46848	0.2
337.27448	1.1
443.25464	0.6
447.29565	0.2
502.32922	7.8
505.66675	0.2
520.33929	22.7
521.34259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.05493	11.7
56.96549	7.6
57.03408	5.0
61.02912	5.4
67.05486	19.7
69.03407	12.7
69.07058	21.4
71.04978	17.7
71.60040	4.9
79.05482	17.7
81.07047	100.0
83.04995	4.9
83.08601	14.0
85.02903	18.5
87.04482	5.4
91.05472	15.1
93.07034	63.5
94.15241	4.6
95.04958	77.1
95.08041	6.4
95.08606	82.5
97.02858	11.4
99.08094	4.9
105.07027	28.5
107.08582	36.4
109.06556	10.7
109.10123	29.3
111.08047	8.3
116.98571	7.6
119.08585	21.2
121.10137	22.9
123.11676	34.7
127.03899	4.5
127.11145	9.5
131.08548	12.3
133.10075	12.1
135.11656	10.5
137.13239	88.0
141.12714	11.7
143.08507	5.7
144.88266	4.9
145.10088	14.5
147.11670	34.4
149.13246	9.0
157.10153	15.3
159.11731	24.8
161.13271	10.1
163.11099	5.1
165.12781	17.3
167.10571	6.0
171.11681	6.7
173.13248	19.0
183.13770	6.0
199.14845	9.4
201.14803	14.9
201.16431	17.7
213.16339	16.7
257.10199	4.0
269.22653	12.5
277.25247	11.5
280.86365	4.5
287.23700	72.5
293.24683	15.1
305.24664	68.1
311.25537	10.8
323.25638	27.8
340.27203	6.1
348.18881	14.4
357.19470	10.4
512.46515	5.3
520.25848	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05509	6.6
56.96551	0.9
57.03429	7.2
57.07339	0.9
65.03941	0.9
67.05495	31.6
69.07049	7.4
69.71730	3.0
69.72145	2.8
79.05487	15.4
81.03419	1.1
81.07043	26.9
83.04954	1.3
83.08614	1.7
86.09685	1.2
88.03975	6.8
91.05451	7.1
93.07033	14.9
95.04950	2.7
95.08045	1.6
95.08595	18.8
95.79793	0.9
97.06555	1.1
97.10140	1.0
98.20802	1.7
98.98476	5.6
104.90916	0.9
105.07012	5.1
106.04998	1.4
107.08588	6.7
109.10139	8.0
111.08022	0.8
115.03736	0.9
119.08569	2.3
121.10133	4.8
123.11682	2.1
131.08531	1.6
133.10063	2.0
135.11679	2.8
137.13206	1.0
145.10095	1.4
146.20982	0.9
147.11752	1.3
149.13206	1.5
155.01027	1.0
161.13194	1.2
173.02133	1.6
173.13226	1.5
184.07333	2.6
192.08879	0.9
227.09750	0.9
261.22147	2.1
317.49911	0.9
317.92792	1.0
335.25754	100.0
348.25571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.05029	0.6
57.03423	0.2
57.36960	0.1
58.06619	0.5
59.07393	0.1
60.08154	6.6
67.05492	0.6
69.07052	0.3
69.86655	0.1
69.87069	0.3
70.06586	0.1
71.07362	3.4
79.05483	0.1
80.97429	0.1
81.07040	0.5
83.08611	0.2
86.09691	31.2
87.10004	0.1
89.20772	0.1
93.07041	0.1
95.08595	0.3
98.21371	0.1
98.98452	3.2
104.10725	3.0
109.10136	0.2
116.99480	0.1
119.08521	0.1
121.10143	0.1
124.99982	22.0
143.01025	0.5
152.36922	0.1
184.07307	100.0
185.07620	0.3
229.44319	0.1
236.14989	0.2
258.11011	0.2
258.21942	0.1
336.33990	0.1
337.27393	0.1
376.31528	0.1
485.60645	0.1
502.32935	0.7
520.33929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04146	0.8
52.38872	0.9
55.01868	2.6
55.05511	3.5
56.05034	5.9
57.03420	1.3
58.99583	13.4
61.01137	1.1
67.05505	12.3
68.04999	1.6
69.03413	2.0
69.07056	4.4
70.02967	1.6
70.06598	2.0
71.04984	1.9
71.49374	1.2
73.01132	1.3
74.00669	1.8
76.02225	30.9
76.03999	1.5
79.01881	1.7
79.05499	7.8
80.05009	1.6
81.03415	2.2
81.07056	17.4
82.06596	1.2
83.04968	2.3
83.06104	3.2
83.08609	3.2
84.04502	7.2
85.01172	1.7
85.02905	3.1
86.00652	6.3
86.73399	1.0
86.99039	7.3
87.02695	1.4
88.02202	3.0
91.05477	10.7
93.07031	10.6
94.06565	2.6
95.04993	2.3
95.08600	6.8
97.01124	7.4
97.06536	2.6
99.02663	1.1
100.02201	0.9
102.05527	4.4
105.07030	5.9
107.04935	1.9
107.08585	7.3
109.06504	1.9
109.10162	2.9
111.02674	6.9
111.08084	2.7
113.04234	1.5
114.03743	2.3
116.01677	25.6
116.02489	1.8
117.07014	2.7
119.04916	4.0
119.08595	2.4
119.39333	1.0
121.10141	3.5
123.02614	1.3
123.11729	1.2
127.03877	1.1
129.06633	4.3
130.04994	3.6
131.08528	4.1
133.10133	5.2
135.11696	3.6
137.04227	1.8
137.06003	1.3
142.03194	3.7
143.02673	1.7
144.01114	9.4
145.06165	1.3
147.04388	4.2
147.11684	2.4
149.09618	1.8
149.13251	8.7
151.05820	1.3
151.11183	2.9
153.01817	17.0
159.11685	5.2
162.02203	23.3
162.03439	1.9
170.02748	1.7
173.13222	2.0
175.03932	7.7
177.05463	1.6
177.12778	3.9
179.04845	16.2
183.08290	1.6
189.03282	1.7
190.04008	1.2
194.15373	1.4
195.13815	8.5
198.14928	1.2
206.15308	1.3
207.06506	14.7
212.16431	3.6
213.14787	2.8
217.10478	1.4
218.15442	1.8
219.17448	1.3
224.16486	1.6
226.12582	2.8
231.13895	1.0
233.06003	2.2
235.11435	1.6
236.16440	1.4
244.13660	1.9
245.05910	1.4
252.14113	8.3
253.12605	2.3
270.14981	21.4
280.13773	1.7
288.16296	14.2
298.14734	1.6
308.09164	2.1
312.12613	2.4
314.93317	0.9
335.98312	1.1
355.16925	3.7
356.15305	1.2
373.17911	100.0
374.18402	2.2
391.18890	3.9
424.07553	1.1
427.19080	1.4
445.20255	7.6
502.21948	1.3
520.23511	6.6
520.30328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59322	0.7
56.96541	0.8
66.54876	0.7
67.05495	1.3
69.07069	1.0
81.07047	2.1
81.97695	0.7
83.08614	0.8
84.04478	0.8
85.02876	1.2
91.05418	1.0
93.07031	1.2
95.05000	0.9
95.08588	1.3
105.07030	1.4
107.39754	0.7
109.10152	1.3
128.06184	0.8
129.99800	0.7
131.08568	1.1
135.11707	0.8
142.67314	0.7
146.06984	2.1
155.79121	0.8
167.78674	0.8
184.76726	0.7
185.04286	1.0
189.08823	3.9
218.34787	0.9
229.06686	4.4
337.12546	4.9
352.14841	13.0
353.15268	0.9
354.15479	1.1
357.20337	8.9
501.20627	0.9
519.25519	100.0
520.26257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	31.2
57.07071	15.6
67.05486	42.5
69.07056	79.9
71.02273	32.8
71.02609	13.4
71.30817	12.7
79.05472	20.3
81.07062	97.2
82.97236	14.1
83.08591	64.0
93.07033	37.3
95.08597	100.0
97.10167	26.1
105.06991	36.3
107.08547	32.5
109.10170	67.1
111.11723	35.2
113.73132	13.2
119.08591	22.6
121.10157	32.8
123.11671	49.7
133.10141	17.5
137.13176	23.0
147.11690	29.3
149.13205	18.1
151.14772	18.8
159.11699	16.2
165.12721	21.8
234.72937	15.4
303.26715	25.7
321.27826	55.4
339.28967	66.6
339.32828	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	519.241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59795	1.4
69.60223	0.9
73.02894	0.3
79.05461	0.5
81.03391	0.3
85.02893	0.5
91.05485	0.4
93.72784	0.3
95.10875	0.3
97.02866	0.4
98.21521	0.5
137.05974	0.8
145.02834	0.7
153.01804	1.3
177.05492	0.6
178.94911	0.3
185.04266	0.5
203.05251	0.8
219.10141	0.7
259.07962	1.0
283.06265	1.0
283.15012	0.4
299.05972	0.4
357.18845	3.0
454.42029	0.4
459.21933	0.9
487.21484	1.7
519.24121	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	519.241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.8
70.06606	0.6
71.15017	0.8
71.15362	0.5
73.76967	0.4
76.02216	0.5
77.94726	0.4
81.03372	0.4
81.07056	0.4
84.58266	0.4
85.02901	1.1
86.09262	0.4
91.05461	0.5
93.07024	0.4
97.02920	0.4
108.72482	0.4
111.99690	0.4
117.03403	0.4
137.05945	2.9
138.36487	0.4
146.49084	0.4
147.04419	0.5
153.01811	0.7
283.06314	1.0
357.14337	0.7
357.18658	3.2
373.17810	0.4
394.98615	0.5
458.28552	0.5
459.21915	0.7
474.88333	0.4
487.21729	0.9
513.49933	0.4
519.24133	100.0
520.24457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2561
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
52.59322	0.7
56.96541	0.8
66.54876	0.7
67.05495	1.3
69.07069	1.0
81.07047	2.1
81.97695	0.7
83.08614	0.8
84.04478	0.8
85.02876	1.2
91.05418	1.0
93.07031	1.2
95.05000	0.9
95.08588	1.3
105.07030	1.4
107.39754	0.7
109.10152	1.3
128.06184	0.8
129.99800	0.7
131.08568	1.1
135.11707	0.8
142.67314	0.7
146.06984	2.1
155.79121	0.8
167.78674	0.8
184.76726	0.7
185.04286	1.0
189.08823	3.9
218.34787	0.9
229.06686	4.4
337.12546	4.9
352.14841	13.0
353.15268	0.9
354.15479	1.1
357.20337	8.9
501.20627	0.9
519.25519	100.0
520.26257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44666	1.6
51.93898	1.3
53.03929	3.9
55.01859	2.6
55.05476	2.4
57.03429	22.0
59.04979	5.4
61.02903	6.1
67.05461	1.9
68.14091	1.4
69.03419	68.2
70.06627	5.7
70.07046	3.5
71.04955	2.4
73.02888	3.4
75.04456	4.5
76.35480	1.6
79.05480	24.4
81.03417	7.4
81.07017	4.1
83.04978	1.8
85.02894	80.5
85.06059	2.4
85.06532	30.9
85.40675	1.4
87.04453	40.4
91.03929	2.4
93.07066	1.9
95.04950	6.0
95.08575	1.6
97.02877	55.6
99.04428	3.8
105.03384	36.2
107.08572	2.1
109.02858	4.1
109.06511	1.8
111.04405	2.3
115.03914	69.3
115.04739	3.3
121.06403	1.5
123.04409	100.0
123.07986	3.1
127.03906	15.7
133.04948	68.5
135.08075	2.9
139.58704	2.1
145.04938	32.0
150.07626	7.3
151.07494	2.1
153.01797	2.8
153.09033	3.0
163.06029	12.4
181.08595	2.4
189.09087	9.5
192.47339	1.5
199.09554	9.1
211.09743	1.5
217.10704	1.7
229.10699	5.2
259.08109	1.9
285.09586	6.2
362.04089	4.2
373.13846	1.7
380.05206	2.8
381.00992	4.5
404.05112	1.9
518.30011	3.3
519.19110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05033	0.5
57.03431	0.1
58.06631	0.4
59.07391	0.2
60.08158	6.4
65.03930	0.1
67.05492	0.5
69.07072	0.1
70.06583	0.1
71.07368	3.6
79.05484	0.3
80.97443	0.1
81.07066	0.4
86.09697	33.0
87.10043	0.1
91.05484	0.2
93.07056	0.4
95.04939	0.1
95.08611	0.4
98.98454	3.6
104.10735	3.2
107.08602	0.2
124.92690	0.1
124.99994	23.8
143.01012	0.4
153.56883	0.1
155.21561	0.1
166.02750	0.1
184.07323	100.0
185.07697	0.5
191.37907	0.1
219.77716	0.1
222.02754	0.1
258.10974	0.2
335.25784	0.2
500.31137	0.9
518.32440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79095	0.2
55.05494	0.6
56.05025	1.3
57.03424	0.5
58.06567	1.2
59.07373	0.5
60.08158	17.8
67.05496	3.2
69.07042	0.7
70.03681	0.9
70.04084	0.3
71.07366	6.4
79.05478	2.0
81.07043	2.0
83.08614	0.3
86.09697	53.6
91.05463	1.0
93.07019	1.9
95.04964	0.3
95.08599	1.4
98.21399	0.2
98.97837	0.1
98.98453	4.8
104.10732	100.0
105.07029	0.7
105.11068	0.6
107.08580	0.9
109.10155	0.6
119.08566	0.3
121.10123	0.5
124.99992	30.0
133.10109	0.3
143.01062	0.6
144.91469	0.2
150.49095	0.2
153.20824	0.2
163.01535	0.7
180.05821	0.2
184.07320	99.3
185.07629	0.4
222.58649	0.2
258.11044	1.1
335.25723	0.7
415.45737	0.2
435.23776	0.3
441.23740	0.5
500.31329	9.0
518.32379	22.1
519.32751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.18135	1.7
53.03937	3.3
55.05502	12.7
57.03425	6.7
57.07076	3.4
61.63745	1.9
67.05496	29.9
68.53085	1.6
69.07063	11.6
71.04970	1.6
79.05474	21.3
81.07046	33.2
83.08602	7.4
85.06538	3.6
91.05469	19.6
93.07034	27.6
95.08591	26.6
97.06538	4.1
97.10173	2.9
105.07007	22.6
107.08581	23.0
109.10156	13.8
117.07003	5.7
119.08579	21.1
121.10109	15.4
122.30356	1.8
123.11723	3.8
129.07047	2.5
131.08562	16.2
133.10135	16.4
135.11678	6.5
137.09634	2.6
143.08574	4.9
145.10110	16.4
147.11699	12.2
149.09534	1.8
149.13271	6.4
155.08650	1.9
157.10167	4.3
159.11659	13.3
161.13248	8.1
163.14850	3.1
171.11734	6.7
173.13229	8.8
175.14836	5.5
183.11633	2.9
185.13228	3.8
187.14803	4.3
197.13304	2.7
199.14807	3.9
213.16504	2.9
214.65182	1.9
215.17876	2.4
241.17960	2.4
259.20459	2.5
274.11816	2.1
299.23718	3.1
313.25388	2.4
407.33023	6.0
425.34259	13.3
443.35352	7.8
499.37979	19.7
517.38849	100.0
518.39288	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	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03953	2.0
55.05503	12.3
57.03438	3.8
59.42589	1.8
67.05499	29.0
69.07041	13.6
71.05003	2.7
71.59304	3.0
72.02119	2.4
77.48956	2.0
79.05489	23.9
81.07054	34.8
83.08624	7.2
85.06584	2.4
91.05477	19.3
93.07036	24.0
95.04928	2.4
95.08591	23.8
97.06512	4.5
97.10255	2.8
103.11497	2.0
105.07024	24.4
107.08588	16.0
109.06549	3.6
109.10162	8.8
117.07008	6.0
119.08566	18.8
121.10126	14.6
123.11747	5.9
124.68477	2.1
126.02532	2.1
126.85853	2.3
129.06953	2.8
131.08559	16.8
133.10112	15.3
135.11717	9.9
143.08553	3.9
145.10126	15.1
147.11649	11.1
149.13251	4.3
157.10141	8.2
159.11659	15.0
161.13301	6.5
163.14862	3.8
164.40367	2.1
171.11694	5.2
173.13307	7.4
175.14822	3.7
185.13345	3.6
187.14845	5.3
207.57689	2.0
231.17516	2.8
238.95976	2.5
259.20612	4.0
310.31631	2.2
407.33072	4.0
425.34058	11.3
443.35168	6.4
499.37885	18.6
517.38751	100.0
518.39197	5.2
544.49084	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3882
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03925	2.3
54.38462	0.8
55.01859	1.3
55.05260	1.3
55.05507	13.3
56.94032	0.9
57.03417	3.8
57.07066	1.8
65.03925	1.1
67.05499	28.4
69.07068	13.3
70.54877	1.7
70.55269	1.9
71.04980	1.7
79.05487	20.9
81.07046	33.3
83.04985	1.4
83.08618	8.7
85.06546	1.6
91.05469	19.3
93.07031	23.3
95.04953	3.4
95.08597	27.6
97.06506	4.0
97.10155	3.5
105.07012	25.5
105.07671	1.7
107.08589	19.1
109.06503	1.0
109.10132	14.5
111.08106	2.3
117.06988	7.7
119.08565	24.5
121.10132	13.6
123.11691	4.0
125.09610	1.6
129.06985	3.9
131.08560	16.1
133.10120	18.8
135.11659	8.8
142.95897	1.0
143.08557	3.4
145.10100	15.8
147.11659	12.0
149.09631	1.3
149.13239	5.9
155.08543	2.3
157.10129	6.5
159.11673	11.2
161.09625	1.1
161.13226	7.7
163.14771	2.4
169.10107	2.6
171.11693	4.3
173.13228	8.0
175.14827	5.0
177.12704	1.1
177.16356	2.0
183.11711	3.1
185.13283	6.0
187.14839	4.2
189.16376	1.7
197.13303	2.4
199.14819	2.9
201.16451	3.0
209.13423	1.0
211.14864	1.4
213.14757	1.3
215.18010	1.4
217.15887	1.1
219.17468	1.4
225.16455	1.6
231.17419	1.3
235.20735	1.0
241.17848	2.5
245.19034	1.2
257.19003	1.4
259.20630	3.3
287.23633	1.8
299.23682	2.0
313.25354	1.9
315.23169	1.1
317.24948	2.0
333.24228	1.2
405.29977	1.6
407.28195	1.5
407.33072	3.5
419.31894	1.6
425.34116	15.0
443.35257	7.5
499.37750	20.7
517.38806	100.0
518.39453	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.96570	0.8
57.03426	2.3
57.07066	3.1
59.04990	2.4
65.03934	1.5
67.05497	19.2
69.03426	11.2
69.07063	1.0
71.04984	13.8
79.05491	2.7
81.03399	1.3
81.07050	5.1
83.04969	1.7
85.02889	2.3
85.06534	21.9
87.04449	2.7
91.05490	2.7
92.13493	0.7
92.40332	0.7
93.07038	2.8
94.53394	0.6
95.04964	24.6
95.08598	2.9
97.02886	1.4
104.78841	0.6
105.07030	3.9
107.08557	3.2
109.06561	1.0
109.10145	1.2
113.05997	100.0
116.98595	0.8
117.06969	0.8
119.04940	0.7
119.08561	2.0
121.06448	0.9
121.10121	2.3
125.05962	4.4
131.08560	1.5
133.10103	1.9
145.08583	19.7
145.10118	1.9
147.04381	2.0
147.11649	2.2
149.05975	1.0
149.13318	0.7
153.01805	2.7
153.05478	6.8
154.02170	0.8
155.07034	5.3
157.10133	1.2
159.11696	2.2
173.13353	0.8
175.14816	1.3
183.11676	1.1
185.13359	0.9
189.16412	0.9
195.11600	0.7
197.13321	1.1
201.16370	4.9
203.17863	0.8
215.17870	1.2
218.41360	0.8
229.06787	0.8
309.22534	0.8
319.20667	1.4
337.12854	1.3
337.21552	6.9
352.14899	2.7
353.15741	0.7
355.22623	14.7
373.23587	2.6
517.24036	8.9
517.29877	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	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42765	0.9
53.03936	1.1
55.05513	7.7
57.03413	3.1
65.03923	1.1
67.05502	16.6
69.07070	8.3
71.59523	1.4
79.05492	15.7
81.07062	22.2
83.08604	4.1
91.05486	10.9
93.07047	15.9
95.04977	2.3
95.08613	17.1
97.06519	1.9
97.10169	2.8
105.07030	16.8
107.08604	8.9
109.10174	7.6
111.08080	1.4
117.06995	6.0
119.08585	14.9
121.10145	10.0
123.11722	2.7
125.09654	1.9
129.07002	2.4
129.12645	1.0
130.07739	1.1
131.08589	9.4
133.10112	12.0
135.11679	5.6
136.13834	0.9
143.08580	3.6
145.10126	9.5
147.11684	6.4
149.13284	2.9
155.08566	1.6
157.10185	2.4
158.82509	1.0
159.11719	7.9
161.13310	4.8
163.14894	1.4
169.10103	1.9
171.11708	3.0
173.13240	5.7
175.14790	3.2
183.11671	1.4
185.13193	2.6
187.14828	3.9
195.11678	1.0
199.14859	2.0
211.14807	1.6
241.17973	3.1
259.20688	2.6
277.21619	1.0
287.23849	1.1
333.24484	1.2
407.32919	2.6
425.34100	8.2
443.35187	3.9
499.37878	12.6
517.37836	100.0
518.38336	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	517.241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15871	0.4
55.05497	0.6
56.96568	0.7
67.05511	0.7
69.03416	0.7
69.07059	0.7
69.69509	0.4
71.60048	0.6
79.05512	0.6
81.03405	0.8
81.07056	1.5
83.08683	0.5
85.02899	0.8
91.05484	0.8
93.07049	0.6
95.08585	1.4
96.01897	0.4
105.07007	0.6
106.37716	0.5
107.08556	1.1
109.10178	0.8
119.08564	0.8
121.10111	0.7
135.11578	0.5
137.05933	0.8
138.13477	0.5
146.07022	3.5
147.04408	0.6
153.01814	2.4
157.10104	0.7
162.99727	0.5
189.08858	7.0
201.03722	0.6
229.06812	4.7
235.24559	0.5
250.47006	0.5
303.01413	1.1
317.62064	0.5
337.12570	8.3
352.14920	20.8
355.18842	1.8
517.24060	100.0
518.24628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.264
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
55.05481	1.8
57.03441	2.1
65.03946	1.8
69.03429	3.3
70.02618	6.3
71.04971	4.6
79.05486	3.8
81.07058	7.0
85.02898	6.2
91.05450	5.0
94.15425	2.0
95.08588	2.5
98.21474	3.5
105.07037	4.6
107.08582	13.7
109.06516	7.2
109.10151	3.1
119.08549	4.5
121.10123	6.6
122.07289	3.7
129.91504	1.9
131.08583	2.2
133.10127	100.0
135.07999	10.4
137.05965	2.6
137.09610	66.5
149.09436	2.0
149.13261	9.1
173.13283	7.4
186.56877	1.9
191.14294	65.1
209.15363	14.7
383.20865	2.1
420.41489	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	515.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01839	2.6
55.05503	14.9
57.03415	6.6
57.07053	2.2
67.05498	45.8
69.07059	13.0
70.11514	2.6
70.11909	3.7
71.04992	2.5
76.18602	1.5
79.05484	44.2
81.03409	2.0
81.07047	38.5
83.04988	7.3
83.08612	5.8
84.36858	1.4
85.06519	3.0
91.05465	24.6
93.07034	53.2
95.04964	5.8
95.08591	21.3
97.06528	4.8
97.10155	6.4
99.14241	1.8
105.07024	15.8
107.04851	1.6
107.08579	27.2
109.06555	3.3
109.10162	10.4
111.08035	2.0
115.05415	2.1
117.07033	8.3
119.08569	15.3
121.10119	19.3
123.11681	1.6
125.09628	2.6
129.07025	3.9
130.07703	2.1
131.08546	13.9
133.10130	11.0
135.11673	35.8
143.08528	4.7
145.10089	14.7
147.11623	9.0
149.13226	5.4
153.12813	1.8
157.10144	5.1
159.11711	9.7
161.13272	3.9
163.11172	5.0
169.10121	3.4
171.11662	5.4
173.13206	7.3
181.12271	4.4
183.11752	2.4
183.17888	1.6
185.13278	3.1
187.14844	3.3
195.11682	1.5
197.13283	2.5
223.14954	2.1
248.21973	1.6
261.22159	3.7
270.09134	1.6
317.24710	1.7
374.10312	1.9
405.31458	3.0
423.32346	9.2
441.33542	2.7
479.35040	1.7
497.36267	3.7
515.37274	100.0
516.37854	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	517.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69806	0.3
70.11185	1.4
81.05192	0.3
95.01048	0.4
98.21442	0.3
141.05212	0.4
146.07025	4.3
153.01804	0.5
159.07790	0.6
168.61023	0.3
169.04736	0.5
185.04225	0.6
189.08841	7.3
189.10484	0.6
229.06783	6.2
229.08952	0.4
289.05179	0.3
337.12521	11.0
351.14056	0.7
352.14877	26.4
355.18805	1.3
431.60120	0.3
517.24030	100.0
518.24402	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	517.2405
Annotation	13(S),14(S)-epoxy Fluprostenol isopropyl ester
Peak:m/z	Relative Intensity
56.96557	1.3
60.68427	0.5
67.05491	0.9
69.62800	3.6
71.08104	0.6
81.03414	1.4
81.07040	1.1
85.02892	0.9
91.05472	0.9
93.07050	0.8
98.20794	1.1
100.19769	0.5
104.05018	0.6
105.07024	0.8
107.08549	0.9
112.24059	0.6
119.08572	0.7
121.10140	0.7
137.70940	0.5
145.10165	0.6
147.04352	0.7
149.02298	0.9
153.01836	1.5
163.11214	0.7
247.99338	0.6
303.01340	1.9
353.17691	2.4
355.19238	2.6
371.19073	0.6
517.24017	100.0
518.23993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.2
55.05513	23.9
57.03429	13.8
57.07063	5.9
57.98532	4.4
61.02915	5.1
67.05163	7.2
67.05498	85.1
69.03420	19.8
69.07070	24.2
71.04975	10.3
71.59673	8.8
73.02916	5.8
79.05486	69.2
81.03396	19.0
81.07049	100.0
83.04996	6.3
83.08598	17.1
85.02882	11.5
85.06550	6.2
86.01382	4.6
88.61701	4.4
91.03931	6.3
91.05466	49.6
93.07041	61.1
95.04948	9.5
95.08592	74.1
97.02868	13.0
97.06505	7.6
97.10195	6.2
97.57158	5.0
99.04460	6.2
99.08072	6.2
103.03983	5.1
105.07024	39.9
107.08583	43.1
109.02876	5.5
109.06464	12.4
109.10119	31.7
111.08071	5.6
114.19639	5.4
117.06996	18.4
118.09805	4.4
119.08546	36.5
121.10128	42.9
123.11707	13.3
129.06967	11.7
131.08562	36.1
133.06506	5.9
133.10103	24.8
135.08066	11.2
135.11682	29.2
143.08540	7.3
145.10117	23.4
147.11723	16.1
149.13257	17.8
157.10094	8.8
159.11626	28.5
161.09579	8.8
161.13243	12.4
163.14828	15.8
166.23796	4.8
169.10168	6.7
171.11656	9.3
172.34142	4.3
173.13235	23.6
175.14850	6.7
179.14331	6.1
183.11743	6.7
185.13199	4.6
186.08867	5.1
187.14731	12.6
191.14211	5.3
199.14653	6.9
243.21078	24.2
261.22067	51.9
303.23218	7.1
304.47055	4.7
335.25818	10.6
345.24222	12.8
353.26837	16.6
369.24139	13.4
443.27765	6.7
461.28674	5.6
484.31668	5.1
497.30774	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.2
55.01859	7.2
55.05503	22.3
57.03008	3.8
57.03418	13.3
57.07065	4.0
61.02921	8.6
67.05495	96.6
69.03403	13.3
69.07062	17.0
71.04992	9.5
71.59371	6.7
73.02908	7.8
78.84164	3.9
79.05480	61.7
79.45992	4.3
81.03394	11.2
81.07051	97.8
83.04947	6.3
83.08609	10.5
85.02881	16.3
87.68851	4.0
91.05480	38.5
93.07034	75.7
95.04960	12.3
95.08600	78.7
97.02898	9.0
97.06502	6.5
99.08087	5.8
105.07024	27.7
107.08588	42.6
109.06510	10.3
109.10155	42.3
117.06995	17.1
119.08589	30.8
121.06523	4.0
121.10137	36.5
123.11694	13.8
124.39890	3.8
125.85754	3.8
129.07014	8.3
131.08546	36.7
133.10155	21.8
135.08069	6.0
135.11693	26.7
137.13164	8.1
145.10103	15.8
147.11656	20.0
149.13240	18.9
157.10085	8.3
158.68816	4.1
159.11653	21.8
161.13260	9.3
163.11230	4.7
163.14757	10.4
171.11557	5.2
173.13248	14.5
175.14850	6.2
177.16359	4.5
187.14772	12.5
199.14799	5.0
201.16208	4.2
243.21101	17.1
261.22131	65.0
279.23160	7.1
301.21552	9.7
303.23209	6.3
313.45496	4.1
335.25589	20.3
345.24118	8.9
353.26721	17.6
358.66782	5.3
369.24051	5.7
402.13519	5.1
405.26462	5.6
419.27853	9.2
497.30933	11.5
515.26221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.05505	23.3
57.03418	6.2
57.07045	3.4
60.37301	2.3
61.02898	4.1
65.03948	3.8
67.05499	95.4
69.03423	12.3
69.07064	17.8
70.49855	5.5
70.50240	6.6
71.04987	5.9
79.05051	5.2
79.05482	61.2
81.03410	5.2
81.07047	100.0
81.47899	2.3
83.08606	11.3
85.02898	8.1
85.06503	4.9
91.05471	32.1
93.06465	4.6
93.07034	79.8
95.04958	12.7
95.08591	66.1
95.09166	5.2
97.02876	5.9
97.06514	6.1
99.08081	7.0
103.33521	2.8
105.07022	31.4
107.08584	44.1
109.06519	4.7
109.10149	33.0
113.09627	3.4
117.06997	19.4
119.08568	20.4
121.10131	37.8
123.08027	4.0
123.11703	20.4
127.03950	3.0
129.07030	3.8
131.08556	31.8
133.10127	19.0
135.08055	4.9
135.11690	31.6
137.09575	3.9
137.13290	5.9
143.08517	5.3
143.68666	2.7
145.06415	3.4
145.10106	20.6
147.11676	15.8
149.13261	22.2
151.11191	3.2
153.12662	2.8
155.08531	5.0
157.10141	6.1
159.11710	24.3
161.13274	13.4
163.14824	12.8
171.11617	3.6
173.13228	22.7
175.14856	5.3
177.16275	3.8
185.13127	3.0
187.14743	9.5
233.22556	3.1
243.21111	25.3
253.76225	2.6
261.22110	86.6
277.13901	3.0
303.23349	3.4
317.24500	4.1
319.22565	3.9
327.23071	4.3
335.25845	11.2
345.24295	6.0
353.26880	18.6
369.24066	5.3
412.74741	2.9
420.21640	3.3
461.28644	3.7
497.30975	3.6
515.37115	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2253
Annotation	Gomisin E
Peak:m/z	Relative Intensity
57.42952	1.0
61.48482	0.9
71.60109	1.2
81.03421	1.1
81.07072	1.3
85.02879	2.5
85.46970	0.8
87.52988	0.8
91.05466	1.3
93.07073	1.5
95.08577	1.0
105.07016	1.2
105.67380	0.9
121.10137	1.2
146.07036	5.2
151.05557	1.0
169.04764	1.4
177.05377	1.2
189.08917	6.9
212.20879	1.0
229.06885	7.5
281.48105	0.8
337.12598	13.5
352.14880	19.4
370.26251	0.9
389.82428	1.0
411.14273	1.0
427.09253	1.0
515.22455	100.0
516.22595	1.8
534.68695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01861	3.5
55.05505	20.0
57.03437	9.2
57.07067	4.9
61.02916	6.9
65.03930	5.1
65.08762	1.6
67.05498	98.7
69.03418	10.3
69.07055	21.1
69.26885	19.2
71.04984	3.0
73.02901	3.2
74.04675	1.7
74.70982	2.0
79.05130	1.3
79.05482	59.8
81.03403	5.2
81.07047	100.0
83.04966	5.6
83.08615	12.6
85.02885	10.1
85.06538	6.1
91.03949	3.4
91.05470	36.4
93.07034	65.8
95.04945	10.7
95.08598	76.5
97.02880	8.4
97.06521	4.6
97.10149	3.8
98.20708	4.2
99.08073	3.2
105.07019	27.5
107.08586	46.9
109.06515	9.7
109.10143	40.7
111.08086	2.0
113.09620	2.0
117.07015	12.2
119.08570	25.4
121.10129	41.2
123.08030	3.9
123.11701	16.4
127.03954	2.6
129.06993	3.8
131.08548	28.3
133.06482	2.5
133.10098	19.7
135.08083	2.5
135.11674	26.3
137.09607	4.3
137.13235	8.4
139.11180	3.9
143.08554	2.6
145.04996	2.9
145.10118	18.5
147.11673	16.7
149.09523	3.0
149.13243	20.1
151.08963	1.8
151.11159	4.2
153.09106	2.2
153.12743	2.0
157.10130	6.3
159.11662	20.3
161.09529	2.3
161.13226	13.3
163.11055	2.5
163.14818	14.8
165.12735	2.6
171.11671	4.6
173.13213	17.1
175.11235	2.6
175.14880	3.9
177.12685	2.0
177.16339	3.2
179.14317	2.5
185.13283	3.5
187.14786	11.3
191.14372	3.0
201.16367	4.9
215.17886	2.2
233.22638	2.5
243.21007	19.1
261.22107	73.6
279.23032	4.0
285.22003	2.7
299.16055	1.8
301.21747	3.1
303.23257	5.0
317.24875	2.6
335.25858	20.3
345.24142	5.3
351.23154	2.9
353.26834	17.1
369.24194	4.7
377.27106	2.2
387.24939	2.6
405.26361	2.3
419.27853	6.3
461.28894	2.3
497.31274	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65375	2.6
53.03939	3.7
53.75470	2.6
55.05516	6.9
56.96563	7.1
57.03423	3.8
61.02931	3.5
67.05490	13.4
69.03413	7.6
69.07063	4.2
70.06575	4.2
71.59641	3.1
79.01864	5.2
79.05486	14.6
81.03409	100.0
81.07054	15.3
83.04970	5.3
83.08608	24.9
84.08109	5.4
85.02883	9.3
86.09684	5.5
91.05476	15.1
93.07026	9.1
95.04964	30.4
97.02887	22.1
97.10123	3.2
98.97592	9.9
99.04421	4.1
105.07023	15.8
107.04933	8.6
107.08579	5.2
109.02875	6.1
109.06509	4.3
111.04454	3.1
111.08054	11.5
115.05464	3.7
116.98600	9.8
119.08584	11.7
121.06495	4.0
121.10141	6.7
125.02314	4.4
125.27988	2.9
127.03899	3.1
128.98589	6.4
129.06989	8.2
131.00218	4.2
131.04907	7.3
131.08545	10.5
133.06471	4.0
133.10083	7.1
134.99634	7.2
137.05980	3.6
143.03416	2.8
146.99596	4.1
147.04419	4.7
147.08080	4.0
147.11693	7.2
149.01222	8.6
149.09679	5.1
153.01830	83.3
153.02914	3.1
154.02199	16.4
157.10103	14.5
158.99631	3.9
159.04457	4.6
167.06961	4.0
175.11192	14.9
177.00682	6.1
177.05467	8.6
189.12625	5.3
193.12228	69.9
205.04926	7.2
207.02888	8.5
207.13808	4.0
211.13338	8.3
219.01793	5.2
219.10068	5.5
221.04463	3.5
233.04396	5.3
234.04758	4.8
235.13208	3.1
237.02844	12.6
237.08035	6.4
243.08891	12.6
243.59024	3.5
252.09178	3.2
255.09135	14.2
259.10141	12.8
261.04068	3.2
267.15900	65.3
268.10669	13.6
268.60837	3.9
279.04947	3.8
280.05240	3.0
281.10617	4.8
285.16916	93.4
309.16940	12.4
312.13135	5.5
315.06934	4.1
339.01389	4.6
351.12271	6.5
352.12695	12.5
361.02203	5.2
425.14728	6.9
426.15027	6.1
429.20956	4.2
443.15811	5.0
444.16214	3.6
514.17609	56.7
515.18842	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01857	3.6
55.05494	8.9
57.03411	6.2
61.02911	4.7
66.91366	2.5
67.05484	8.4
69.03417	5.9
69.39806	3.5
69.40202	24.3
73.06534	6.0
79.05480	8.8
81.03407	93.9
81.07034	10.7
83.04961	5.1
83.08620	22.9
85.02889	16.4
86.09679	3.1
91.05469	10.9
92.96917	2.4
93.07037	3.6
95.04942	29.4
95.08610	4.2
97.02897	7.4
98.21456	4.5
98.97589	3.9
105.07021	8.3
107.04924	9.0
107.08601	6.6
111.08059	10.2
119.08560	10.7
121.10123	4.8
128.64664	2.4
129.06972	8.6
131.08525	7.8
133.06503	5.6
133.10040	3.0
137.09636	4.3
137.13232	9.1
145.04916	8.8
147.08090	4.0
147.11673	6.2
149.09605	7.0
153.01810	5.2
155.14284	13.9
157.10086	16.6
163.05975	3.3
167.06937	3.5
173.15361	7.5
175.11134	15.1
193.12221	77.6
196.78639	2.4
207.06548	4.1
211.13312	7.9
235.13153	4.2
267.15906	37.9
285.16910	100.0
303.05005	3.4
309.16946	8.8
393.18817	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87859	3.1
53.03940	4.8
55.05497	11.3
56.96538	3.1
57.03416	8.3
61.02925	20.8
67.05499	25.8
69.03414	5.7
69.07061	12.6
69.94832	5.5
69.95242	10.3
71.04986	3.9
73.02904	5.6
79.05486	28.0
81.03415	5.0
81.07043	33.1
83.08611	6.2
85.02870	16.3
91.03944	10.7
91.05464	35.1
93.07028	39.1
95.04972	3.6
95.08592	23.3
97.02869	12.9
97.06500	3.3
97.10218	4.2
98.21432	3.3
105.07028	29.2
107.08588	26.9
109.06524	4.3
109.10133	12.2
115.05421	3.7
117.07007	14.1
119.08569	32.9
120.43488	3.2
121.10092	16.9
123.08054	4.7
123.11668	3.5
129.06999	9.0
131.08531	20.5
133.10091	30.6
135.11707	23.3
137.09636	4.7
143.08537	6.4
143.72896	3.4
145.10085	23.0
147.11673	29.3
149.13246	10.0
157.10114	5.3
159.11685	18.6
161.13199	19.4
163.14786	3.3
171.11678	11.6
173.13248	10.0
175.11124	4.7
175.14806	8.3
185.13275	11.0
199.14856	3.9
213.16386	3.5
229.14224	3.1
231.21042	4.2
232.97882	3.3
239.59570	3.2
241.19386	22.6
259.20547	51.1
351.25256	100.0
352.25342	3.5
363.25241	3.9
367.22836	5.3
441.25635	3.9
459.27545	4.2
471.94324	3.0
477.28436	4.0
487.98483	3.2
513.31329	3.7
513.33923	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	30.9
57.03442	41.1
61.02918	20.7
61.47290	6.8
65.03939	7.4
67.05499	88.1
69.03442	33.3
69.07066	30.9
71.04992	26.8
71.59803	9.6
73.02915	13.4
79.05492	84.4
81.03428	31.6
81.07063	85.2
83.04974	13.8
83.08600	16.4
85.02901	32.3
91.03937	6.0
91.05468	66.5
93.07037	100.0
95.04979	12.1
95.08603	66.6
97.02899	29.7
97.10133	9.3
99.04444	10.7
101.02383	8.7
105.07037	47.6
106.79015	5.8
107.04923	7.8
107.08604	49.8
109.06518	8.7
109.10183	30.6
109.10831	5.7
111.08095	7.2
117.07017	21.9
119.08568	39.3
121.10146	38.4
123.08097	7.3
123.11722	11.9
125.09637	5.7
125.61703	6.0
127.03946	16.1
129.05527	8.1
129.06995	11.2
131.08557	25.1
133.10139	45.2
135.11707	29.4
137.09615	7.2
143.08530	11.5
145.10132	23.3
147.11652	33.4
149.13219	12.9
151.11220	8.4
157.10117	10.5
159.11729	23.7
161.09399	5.8
161.13293	17.1
169.10130	9.6
171.11653	11.3
173.13264	12.1
175.14813	13.3
185.13263	9.9
187.14752	16.0
191.14383	9.3
211.07716	7.1
231.21213	7.5
241.19466	8.5
257.09418	7.3
259.20627	40.7
277.21625	38.3
333.19141	8.4
333.24274	6.7
351.20850	10.4
351.25177	58.9
423.27161	7.8
513.35065	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99234	1.2
59.45520	1.1
59.74001	1.2
71.58480	1.2
79.01862	8.3
79.05488	4.1
80.41396	1.1
81.03410	2.7
81.07039	1.3
83.43903	1.1
85.02936	1.5
91.05483	5.9
94.82219	1.2
95.04927	2.3
97.02905	1.7
103.05463	7.8
105.07021	4.7
107.01304	1.6
107.04947	8.3
107.30506	1.4
115.05456	7.2
117.07029	1.7
119.04887	2.0
119.08594	1.6
121.06451	2.4
122.03642	2.0
122.07284	4.2
125.02328	3.6
129.06992	1.6
131.04932	6.6
131.08598	1.5
133.06483	2.2
135.08070	3.1
137.05956	17.6
143.03360	11.7
146.03630	1.6
147.04391	2.2
147.08032	1.9
149.05943	1.9
150.37218	1.1
151.07509	2.7
151.81961	1.3
153.01811	100.0
153.02769	4.1
160.05135	2.2
161.05951	16.1
162.06740	3.6
162.32819	1.3
163.07533	9.3
163.70998	1.3
165.06990	1.6
169.06517	2.3
174.06668	1.9
175.07529	31.9
178.07819	1.5
181.08569	2.3
189.09099	3.1
190.07755	1.4
194.07263	2.0
201.09090	1.8
203.08563	1.9
205.10057	2.7
207.08147	1.3
218.07300	1.9
219.10130	39.8
221.05861	2.8
222.06761	2.4
222.10162	1.5
233.09584	6.0
234.06584	1.4
235.07535	2.6
237.09120	3.2
249.08978	1.2
250.06142	2.1
251.07016	1.5
261.09048	6.0
264.07816	2.2
265.08606	10.7
265.12192	2.7
267.10175	3.7
269.07977	1.8
278.09268	1.9
282.08777	1.9
284.10309	2.6
293.11606	8.0
297.11172	15.9
297.14362	2.1
299.12839	5.3
310.11829	2.3
311.12735	53.4
312.13339	2.6
313.14276	1.8
325.14273	10.2
343.15359	19.3
404.20032	1.3
529.36200	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05500	6.6
57.03418	8.3
61.02924	13.8
65.91690	2.3
67.05495	22.0
69.03413	5.1
69.07049	8.8
69.23134	2.4
69.45133	21.9
71.04989	3.2
73.02893	4.8
79.05488	24.4
81.03374	2.7
81.07056	24.4
83.04992	2.8
83.08591	4.3
85.02879	10.1
91.03929	6.0
91.05469	24.1
93.07034	40.5
95.04917	4.2
95.08604	17.7
97.02873	6.0
97.06506	2.6
99.08047	3.9
105.07018	25.6
107.08575	22.0
109.10117	8.3
117.06981	5.0
117.33389	2.5
119.08562	23.5
121.10122	21.7
129.07001	6.0
131.08540	10.7
133.10109	17.4
135.11676	23.1
137.40898	2.6
143.08582	5.2
145.10112	11.5
147.11673	20.7
149.13248	14.0
157.10069	6.9
159.11667	10.3
161.13228	19.1
163.11171	3.5
163.14777	3.9
171.11688	7.6
173.13260	9.6
175.14824	10.3
177.12679	2.5
178.46486	2.5
185.13220	8.9
189.12726	3.2
199.14851	4.0
241.19460	16.4
259.20538	48.2
273.22092	2.5
277.21545	8.9
333.24182	9.4
349.19650	2.6
349.23679	5.4
351.25275	100.0
352.25381	2.4
441.26657	5.3
459.26984	3.5
495.29633	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	513.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
56.96572	4.4
57.03429	3.0
69.03428	2.9
69.28136	1.9
69.28539	16.9
70.06593	2.5
71.04971	1.9
73.02910	5.6
79.01849	6.9
79.05482	3.9
81.03413	4.2
81.07043	2.5
83.08585	2.1
85.02891	4.7
86.09663	1.7
90.32879	1.4
91.05494	5.9
93.07000	2.1
94.37541	1.5
97.02915	5.4
98.97592	2.9
99.04489	2.1
99.08077	2.1
103.05430	3.9
105.07025	3.3
107.04962	4.7
109.02881	3.5
114.09160	6.5
115.05502	2.0
116.98619	2.7
117.03374	2.5
117.07009	1.6
119.04947	2.6
119.08584	2.5
120.92241	1.5
122.03629	2.7
123.96696	1.6
125.02345	5.4
127.07571	3.9
128.98584	1.9
129.07001	4.3
131.04913	3.8
131.08575	2.7
134.99667	2.3
137.05978	27.1
138.06322	3.4
141.07019	2.6
143.03406	8.4
145.02759	2.2
146.99623	2.2
147.04434	2.0
147.08041	1.7
151.07578	5.3
153.01823	100.0
153.02766	5.1
154.02252	2.2
157.61299	1.4
161.05954	14.3
163.07553	5.8
164.07027	1.6
166.08676	2.6
169.06520	3.3
174.06729	3.8
175.07532	22.3
177.00671	2.2
177.05484	2.8
177.09067	2.7
182.15535	2.6
184.00464	4.9
189.09111	11.9
190.09352	2.1
193.08502	1.7
201.09195	4.4
203.68977	1.9
207.08188	2.2
210.06586	2.0
210.14874	2.4
218.82565	1.6
219.08057	3.6
219.10162	43.9
220.10506	6.6
223.07602	1.9
224.08440	1.6
226.04916	2.2
233.09712	3.3
237.09059	2.6
250.06293	2.3
261.09128	3.0
265.05768	1.5
265.08661	5.5
265.12198	2.7
268.10791	3.1
269.08044	1.7
293.11777	6.9
296.63440	1.6
297.11270	15.0
299.12857	4.3
304.11459	2.0
305.11777	4.5
310.11783	2.1
311.12799	27.4
313.14386	1.7
319.04520	3.6
325.14529	7.7
341.81009	1.6
343.15396	12.8
345.61652	2.1
351.12390	19.8
379.13034	1.7
380.13885	3.4
380.64087	6.4
389.64655	4.9
390.14771	2.6
399.53250	1.8
401.15289	2.4
409.92813	1.6
410.46460	1.7
433.12085	1.6
435.13431	2.1
436.39258	1.9
446.66092	6.0
472.14029	1.9
513.17664	56.5
513.25330	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	512.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
55.01859	0.8
67.05485	0.7
69.03435	1.1
69.99405	0.6
69.99706	2.9
70.06575	1.1
79.05494	4.1
84.08121	0.5
85.02885	1.3
91.05476	5.6
93.07055	0.5
95.04962	1.0
98.20679	0.6
103.05460	4.2
105.07029	15.6
107.04928	1.6
108.05726	0.6
109.06503	1.5
115.05457	1.2
117.07001	0.7
118.04164	5.2
119.04947	5.7
120.05743	1.2
121.06497	2.1
122.07270	1.6
123.08073	2.2
124.05193	1.5
131.04926	1.2
132.05696	0.8
133.02824	0.7
133.06483	15.8
134.07141	0.6
135.04399	1.3
135.08034	3.0
137.05971	7.5
146.03600	0.9
147.04401	5.1
148.05254	0.7
149.00510	0.9
149.05957	3.0
150.06731	8.8
151.07542	4.5
152.08270	0.8
153.01816	1.5
154.02080	0.6
161.05981	2.7
163.03839	0.6
163.07582	1.6
165.07758	1.0
165.09093	11.6
167.07036	6.7
177.05518	1.1
178.00687	0.6
178.06221	1.0
179.07004	4.3
181.08685	0.8
193.03214	6.8
193.08594	50.1
194.08965	0.5
205.04739	0.6
209.08020	0.6
211.09645	100.0
261.03873	0.8
282.07867	0.8
294.64456	0.5
306.03122	0.6
318.03146	1.2
334.03305	1.2
335.03397	1.4
341.13815	2.1
349.05518	2.7
350.05917	7.6
373.16486	0.7
512.10840	1.7
512.18842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60660	3.7
55.01892	3.4
62.08182	3.0
64.81962	3.0
67.05516	10.3
69.03410	4.3
69.86429	8.7
69.86845	13.7
79.05495	11.9
81.07059	16.0
83.08601	5.1
85.02892	5.9
89.49841	3.5
91.05502	13.4
93.07026	21.7
95.08595	8.2
97.02897	9.2
98.20812	6.0
105.07014	17.4
107.04979	3.6
107.08601	18.9
109.06513	11.5
109.10133	32.7
119.08608	12.5
121.06488	4.1
121.10135	64.3
123.08054	4.1
131.08597	7.8
133.10103	19.6
135.08122	6.4
135.11713	7.7
137.09642	16.0
147.11723	6.4
149.09589	44.8
151.11192	6.3
153.01843	4.9
157.10208	4.0
159.11617	4.1
185.13199	3.7
195.11800	4.8
218.52945	4.0
229.61992	3.6
255.17357	3.6
256.00159	4.1
259.11780	17.6
259.61932	26.5
260.11853	5.3
272.14627	5.7
287.19971	23.6
297.18533	10.3
315.19504	100.0
315.22968	6.6
316.97232	3.6
333.20499	30.8
383.96844	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01870	6.4
55.05494	10.5
56.96556	2.9
57.03419	9.8
61.02921	27.5
67.05498	24.1
69.03419	13.6
69.07051	12.5
70.32318	5.8
70.32704	6.4
71.04973	8.5
72.68559	2.9
73.02905	7.0
79.05494	18.3
81.03417	15.0
81.07063	34.3
83.04962	7.1
83.08611	6.2
85.02891	26.4
89.38612	2.5
91.03957	16.2
91.05468	20.5
93.07047	24.1
95.08617	13.3
97.02907	20.7
97.06541	4.2
99.04482	4.4
101.02370	5.7
105.07021	23.9
107.04946	4.8
107.08598	20.3
109.02857	9.7
109.06512	8.4
109.10153	8.0
117.06993	6.9
119.08581	17.5
121.06499	10.9
121.10143	8.8
123.11710	4.5
126.08063	3.5
127.03938	18.9
129.06987	3.8
131.08557	15.2
133.06483	5.0
133.10104	13.7
135.08090	6.3
135.11655	10.2
143.08542	5.2
145.10110	14.1
147.11664	12.0
149.09612	7.9
149.13254	5.9
151.11159	4.8
157.10158	4.1
159.11577	6.4
161.09674	3.8
163.11234	6.1
169.96353	2.9
171.11638	3.4
173.09628	4.8
173.13310	4.4
183.11732	3.9
187.11203	4.7
201.12759	4.1
203.10757	3.5
207.13847	3.9
211.13181	3.8
239.18057	3.1
247.20656	3.1
257.19067	10.9
271.13016	2.9
275.20041	100.0
280.19513	2.8
293.21143	13.0
340.15338	4.6
349.23697	32.4
377.23032	3.7
391.24759	7.0
394.13474	3.0
493.28256	2.8
505.48416	3.7
511.31824	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	511.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77271	2.9
51.45230	3.0
53.03936	4.2
55.01869	3.4
55.05505	22.1
56.96550	8.5
57.03425	4.1
57.07065	10.6
61.02935	3.9
63.62250	2.6
65.03941	3.9
67.05495	44.3
69.03426	9.9
69.07061	59.1
69.38442	26.5
71.04969	11.5
79.01899	3.1
79.05482	30.3
81.03409	8.3
81.07045	100.0
83.04959	10.1
83.08619	22.6
85.02885	12.6
85.06522	11.6
90.43077	2.8
91.05474	31.6
93.07035	57.6
95.04942	12.3
95.08595	69.2
97.02867	6.8
97.06518	7.8
97.10150	6.3
99.08060	8.8
105.07025	27.9
107.04948	5.1
107.08583	53.6
109.02827	5.4
109.06525	15.4
109.10137	45.3
111.08067	12.1
111.11685	6.1
116.98613	4.4
117.07013	6.8
119.04884	4.0
119.08575	22.4
121.06484	8.4
121.10129	34.7
123.08054	13.1
123.11710	30.6
125.05978	7.8
125.09660	3.8
126.15266	3.1
127.03931	5.0
127.07589	3.7
129.06973	3.2
131.08525	14.1
133.10101	20.3
135.08037	6.5
135.11679	23.0
137.05966	34.3
137.09595	4.5
137.13225	7.5
139.07529	51.7
139.11208	4.5
142.07816	3.6
143.08524	3.8
145.06453	3.4
145.10115	14.8
147.08008	5.5
147.11667	19.1
149.05984	17.3
149.09619	14.8
149.13257	20.1
151.07541	42.4
151.11116	5.7
153.01834	6.8
153.12743	3.4
155.06877	3.6
155.08467	3.0
157.10112	7.2
159.08008	3.5
159.11661	13.3
161.09552	3.4
161.13280	6.9
163.11154	8.9
163.14833	6.5
165.05479	20.6
165.09077	11.8
165.12685	5.7
167.07042	44.3
169.10077	4.6
171.11697	4.7
173.09535	7.4
173.13258	4.9
175.07466	4.5
175.11142	7.8
177.00667	5.3
177.09091	68.0
177.12775	6.5
179.07042	13.9
179.10631	7.8
181.08592	7.4
185.09624	3.2
185.13275	5.7
187.11145	4.0
189.09003	5.2
189.60919	2.9
191.10626	9.3
193.08592	12.8
193.12219	8.2
195.10144	13.2
195.11725	3.7
199.11284	4.6
201.12671	6.5
203.10638	7.9
205.12254	14.3
213.12582	4.0
219.10115	7.9
219.13759	5.2
221.11687	5.6
235.13347	6.2
237.11147	21.8
237.16191	3.3
247.16832	4.6
255.17348	3.6
257.18893	3.3
258.13068	5.5
273.18597	3.8
285.18503	3.9
287.20004	3.9
297.18475	6.4
301.25153	5.0
303.19406	9.3
305.20935	3.8
315.19589	9.0
319.26257	5.0
331.26129	7.1
333.20612	8.8
358.13239	3.2
388.36053	3.4
415.32007	7.7
421.30835	7.7
429.33221	5.0
439.32022	25.7
447.35028	3.3
457.33072	38.0
475.18835	3.4
475.34204	48.9
493.28180	3.6
493.35126	10.7
511.28342	11.4
511.35522	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	14.8
53.84594	9.1
55.05497	27.0
56.96566	13.5
57.03435	49.4
61.02905	22.6
63.80340	9.3
67.05508	70.8
69.03411	39.5
69.07055	52.9
69.71547	9.6
70.78839	21.8
70.79178	17.0
71.04958	10.5
73.02892	19.4
78.78445	9.7
79.05479	50.8
81.03403	40.4
81.07049	100.0
82.12322	10.1
83.04952	20.1
83.08616	25.1
85.02879	48.7
90.94762	10.3
91.03926	12.8
91.05464	73.4
93.07033	66.8
94.75769	11.4
95.04979	19.2
95.08597	75.0
97.02874	30.7
97.10177	11.6
99.04436	14.7
99.26984	11.6
105.07027	78.5
107.04930	19.2
107.08563	38.8
109.02873	17.4
109.06529	10.1
109.10126	35.8
117.07008	32.6
119.08549	64.7
121.10106	27.7
123.08055	16.0
127.03894	22.6
129.06999	20.0
131.08548	43.6
133.10112	32.8
135.07962	10.3
135.11636	22.6
143.08556	23.8
145.10103	52.8
147.11670	29.5
153.01814	12.5
157.10107	20.3
159.11652	38.5
161.13210	15.0
163.11151	17.3
165.12788	10.8
169.10121	17.9
171.11653	17.7
173.09576	13.2
173.13223	13.8
181.12196	16.0
185.13155	15.1
203.14359	12.8
239.17931	15.9
257.18939	30.9
257.62820	11.0
267.16089	10.6
275.20032	43.4
331.18954	14.9
349.20001	17.2
349.23746	78.2
511.18845	11.9
511.28589	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57065	1.8
53.03954	2.4
55.01857	2.7
55.05498	4.5
57.03405	3.5
65.03929	2.5
65.43999	2.0
67.05497	11.1
69.03416	7.0
69.07046	7.7
71.59239	2.5
79.05482	18.2
81.03395	4.3
81.07040	14.2
83.04954	2.3
83.08589	2.3
83.13466	2.1
85.02897	13.8
89.07143	5.8
91.05464	22.5
93.07024	31.5
95.04936	6.4
95.08587	9.2
97.02866	8.0
97.06540	2.1
105.07015	28.4
107.04923	3.4
107.08575	22.2
109.02819	2.2
109.06496	8.3
109.09450	3.6
109.10145	42.9
111.04422	3.5
111.07979	3.3
117.06988	9.3
119.04916	2.0
119.08579	19.6
120.08112	2.7
121.06461	4.8
121.10132	99.5
123.08071	4.9
123.11668	5.9
127.03858	3.3
128.06161	2.3
129.06949	2.4
131.08549	18.2
133.06424	3.9
133.10146	13.5
135.08014	14.8
135.11673	5.2
137.05919	3.6
137.09581	25.8
142.07703	2.1
143.08481	5.3
145.02832	2.1
145.06471	4.3
145.10103	8.9
147.04378	2.4
147.08000	4.2
147.11664	7.4
149.06004	2.5
149.09599	70.0
151.07466	3.7
151.11166	3.9
153.01823	5.0
155.08488	2.7
157.10117	8.2
159.08000	4.9
159.11688	6.2
161.05948	2.6
161.09561	4.2
161.13248	5.6
163.07480	8.6
165.09070	2.6
167.07063	2.7
169.10086	3.1
171.11642	4.1
173.13297	3.9
175.11180	2.6
175.14801	8.2
177.09044	9.1
177.16351	10.7
179.08525	2.5
180.09184	2.1
183.11656	5.3
185.13257	4.3
187.14857	4.1
189.12759	5.5
191.10771	2.4
201.12683	2.4
203.14343	2.3
215.10695	2.0
221.13298	2.7
225.16295	2.6
239.17867	3.0
267.17459	4.9
285.18466	4.9
295.16788	3.5
303.19559	22.1
313.17896	23.5
318.13345	2.2
331.19012	100.0
349.19940	11.7
457.79218	2.1
488.88644	2.6
511.24533	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	510.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
55.05512	4.5
56.84949	1.6
63.16369	1.7
65.59603	1.6
67.05495	9.5
69.03418	3.4
69.07055	7.1
70.06583	1.8
71.59773	4.2
71.60148	1.6
77.03886	1.8
79.05484	7.3
81.03413	3.4
81.07048	25.2
83.08634	3.1
85.02881	4.2
91.05463	6.0
93.07037	7.9
95.04974	2.8
95.08591	10.0
97.02903	3.4
105.07039	5.9
107.04944	2.3
107.08635	8.0
109.06496	10.7
109.10155	5.6
111.04422	13.4
119.08593	5.0
121.10126	6.2
121.57682	1.8
123.08029	2.8
123.11654	3.6
125.06007	6.4
125.09608	1.8
131.08545	2.9
133.10106	4.8
135.08055	3.5
135.11674	4.0
137.05960	100.0
145.10095	3.5
147.08051	1.8
147.11682	5.4
149.09616	5.0
149.13188	2.8
151.07555	4.8
151.11169	2.2
153.01863	3.6
157.10048	2.0
161.09619	6.2
161.13321	2.8
161.67366	1.6
163.11148	2.3
165.09077	4.0
167.07062	2.9
170.04056	2.0
175.11185	3.6
179.10716	2.3
181.10129	3.8
186.80353	1.8
189.12839	1.9
203.17889	8.5
231.17427	5.5
249.18568	5.6
277.17950	52.3
295.19104	26.1
320.22180	3.3
349.20044	2.3
351.21597	63.5
369.22708	29.9
431.18521	3.2
510.26575	10.2
511.25073	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.5
58.06623	1.3
61.41817	1.7
67.05499	2.2
69.03414	4.2
70.06572	1.9
71.04978	2.5
71.59428	2.2
73.02922	14.9
77.70185	1.6
81.07040	3.4
84.08109	2.1
85.02891	7.5
90.52440	1.4
91.05494	9.8
95.04945	2.7
97.02866	3.1
98.97601	2.0
103.05399	1.9
105.07008	3.9
106.68740	1.4
107.04932	3.1
109.06518	1.7
110.07117	1.6
110.94830	1.6
112.11228	2.8
115.03883	1.9
116.98565	1.8
119.04912	8.9
121.06519	3.1
129.07002	5.8
129.26021	1.6
131.04903	3.9
137.05000	2.7
137.05975	37.3
145.02901	3.2
145.06458	2.2
147.04396	1.8
149.05940	6.3
151.07529	51.0
151.11099	1.5
153.01836	4.0
157.06456	5.2
161.05963	9.8
161.09628	2.2
163.07544	14.9
165.07027	2.3
167.08534	4.9
175.07553	3.9
177.05467	4.5
177.09074	13.8
178.05853	1.5
189.09067	14.8
193.06563	2.2
193.10071	3.1
195.07986	12.4
197.05991	2.0
207.10048	3.6
221.05937	4.2
221.09558	5.3
223.07504	6.0
225.09096	4.8
227.10649	16.2
237.03015	2.1
237.09293	1.8
249.08984	3.8
249.11240	2.4
253.08578	6.4
253.12244	4.6
255.10141	17.1
267.10080	3.5
281.11749	2.3
285.11230	12.1
287.05527	2.6
287.12756	25.6
297.11166	3.1
311.13043	3.4
313.14243	25.5
331.15381	100.0
343.15454	8.5
450.17157	1.7
471.82837	1.8
501.55820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15099	5.7
50.48741	6.7
53.03938	6.4
53.61509	5.4
54.86902	5.4
55.01854	10.4
55.05512	36.8
56.96549	6.9
57.03407	14.8
57.07066	15.4
67.05505	52.2
69.03414	16.4
69.07059	52.8
69.79983	31.2
70.52008	5.3
79.05493	37.4
81.03427	32.0
81.07052	100.0
83.04937	11.2
83.08603	35.4
83.84982	5.7
85.02905	39.1
85.06538	12.9
91.05466	40.9
93.07036	59.9
95.04961	15.8
95.08597	93.8
97.02872	15.7
97.06509	6.8
97.10152	23.0
98.97565	6.9
99.08055	8.1
99.75614	6.2
105.07021	46.0
107.08592	55.6
109.02866	9.8
109.06524	12.2
109.10152	45.5
111.04459	10.5
111.08064	9.7
111.11719	7.8
116.98598	6.3
117.06971	10.1
119.08555	29.3
121.06435	9.7
121.10115	19.4
123.11710	38.0
125.06007	7.6
131.08524	19.0
133.06418	7.7
133.10114	49.5
135.08034	9.4
135.11664	25.8
137.05951	12.6
137.09587	7.3
137.13248	16.0
139.07568	10.3
142.10216	6.2
143.08578	8.6
145.10075	13.7
147.11714	11.5
149.09636	9.5
149.13200	18.9
151.07530	21.6
151.11124	8.3
151.14812	17.6
153.01791	14.4
153.12695	7.7
161.09621	16.2
161.13264	7.7
163.11122	15.0
163.14781	10.1
165.09064	20.4
165.16330	11.1
167.07011	5.6
169.98430	7.0
175.11122	7.9
177.09070	20.6
179.10670	63.7
191.10635	10.2
193.12248	24.6
209.11649	8.2
211.13277	20.3
225.11124	9.0
227.12883	9.7
273.61575	6.0
293.28284	22.6
311.29367	6.5
324.66602	6.2
329.17416	22.7
329.46793	6.5
347.18408	15.2
473.32516	11.2
491.26337	7.3
509.27539	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.3
56.96550	9.3
57.07058	10.6
67.05502	50.1
69.03421	19.6
69.07071	49.5
69.84840	56.5
71.04960	10.8
79.05492	53.6
81.03442	16.8
81.07059	100.0
83.08619	24.5
85.02892	21.3
85.06533	26.8
91.05475	42.5
93.07035	41.9
95.04958	21.7
95.08598	79.5
97.02855	16.3
97.06522	9.2
97.10167	20.5
104.28955	10.9
105.07024	36.0
107.04965	15.3
107.08604	27.2
109.06523	13.4
109.10150	66.1
111.04462	8.9
111.11714	12.7
112.47726	8.6
119.08568	21.8
121.10132	28.7
123.11681	25.9
127.03890	17.1
131.08566	10.4
133.10139	13.0
135.08043	15.1
135.11624	15.2
137.05948	23.5
137.13232	13.3
142.59538	8.7
143.08540	10.6
145.10153	19.0
149.09666	12.4
149.13194	19.9
151.07603	12.4
153.01805	31.0
161.04610	8.6
161.09636	9.8
163.11218	11.2
205.19295	11.0
223.71930	11.2
227.12877	14.0
275.27173	11.1
446.23651	13.2
491.25894	14.8
509.27496	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15099	5.7
50.48741	6.7
53.03938	6.4
53.61509	5.4
54.86902	5.4
55.01854	10.4
55.05512	36.8
56.96549	6.9
57.03407	14.8
57.07066	15.4
67.05505	52.2
69.03414	16.4
69.07059	52.8
69.79983	31.2
70.52008	5.3
79.05493	37.4
81.03427	32.0
81.07052	100.0
83.04937	11.2
83.08603	35.4
83.84982	5.7
85.02905	39.1
85.06538	12.9
91.05466	40.9
93.07036	59.9
95.04961	15.8
95.08597	93.8
97.02872	15.7
97.06509	6.8
97.10152	23.0
98.97565	6.9
99.08055	8.1
99.75614	6.2
105.07021	46.0
107.08592	55.6
109.02866	9.8
109.06524	12.2
109.10152	45.5
111.04459	10.5
111.08064	9.7
111.11719	7.8
116.98598	6.3
117.06971	10.1
119.08555	29.3
121.06435	9.7
121.10115	19.4
123.11710	38.0
125.06007	7.6
131.08524	19.0
133.06418	7.7
133.10114	49.5
135.08034	9.4
135.11664	25.8
137.05951	12.6
137.09587	7.3
137.13248	16.0
139.07568	10.3
142.10216	6.2
143.08578	8.6
145.10075	13.7
147.11714	11.5
149.09636	9.5
149.13200	18.9
151.07530	21.6
151.11124	8.3
151.14812	17.6
153.01791	14.4
153.12695	7.7
161.09621	16.2
161.13264	7.7
163.11122	15.0
163.14781	10.1
165.09064	20.4
165.16330	11.1
167.07011	5.6
169.98430	7.0
175.11122	7.9
177.09070	20.6
179.10670	63.7
191.10635	10.2
193.12248	24.6
209.11649	8.2
211.13277	20.3
225.11124	9.0
227.12883	9.7
273.61575	6.0
293.28284	22.6
311.29367	6.5
324.66602	6.2
329.17416	22.7
329.46793	6.5
347.18408	15.2
473.32516	11.2
491.26337	7.3
509.27539	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79611	1.2
50.85425	1.2
53.03949	2.8
55.01867	3.0
55.05503	8.1
57.03426	3.7
57.07069	3.5
58.78270	1.1
59.57718	1.3
60.04736	1.3
61.02907	2.0
65.03917	1.7
66.12767	1.1
66.13534	1.1
67.05496	13.8
69.03426	8.6
69.06713	2.2
69.07061	26.1
71.04994	3.2
71.59738	1.4
71.60168	1.6
79.05489	32.0
81.03402	5.7
81.07053	18.0
83.04970	5.2
83.08615	3.7
85.02898	14.1
85.06537	2.1
86.55119	1.2
88.98919	1.2
89.63512	1.3
91.05470	29.9
93.07034	36.9
95.04961	11.0
95.08601	10.9
97.02867	7.6
97.06567	2.4
97.10186	3.5
99.04436	1.6
103.05422	1.7
105.03362	2.0
105.07022	29.3
107.04930	2.9
107.08585	32.0
109.02885	2.1
109.06512	6.1
109.10154	9.8
111.04443	13.2
111.08107	2.0
111.80016	1.5
117.07021	2.2
119.04951	2.0
119.08559	17.6
121.06522	7.9
121.10135	4.4
123.04420	13.2
123.08080	4.1
123.11698	3.9
125.02338	1.4
125.05990	4.9
125.09628	3.1
127.03944	3.6
129.06931	1.7
131.08562	8.7
133.06520	1.5
133.10115	40.3
133.11075	2.5
135.04535	1.2
135.08054	5.7
135.11676	11.9
137.05980	11.1
137.09634	4.2
137.13220	2.2
139.07516	3.2
143.08539	1.5
145.04979	1.5
145.10089	3.2
147.08041	4.5
147.11670	1.8
149.09627	3.5
151.07533	30.3
151.08514	1.1
151.11140	3.9
153.01822	2.6
153.09100	9.1
157.10150	2.2
159.08060	6.0
161.09612	11.2
163.07559	4.8
165.09102	25.7
167.10674	1.6
169.08597	13.3
171.08051	1.5
171.11710	2.3
177.09129	16.0
177.12791	2.1
179.10660	100.0
179.61485	1.3
185.09464	1.8
185.13264	2.1
189.09056	1.4
191.10680	5.1
195.11797	1.5
199.11165	2.9
200.11969	3.6
200.77840	1.3
201.12759	1.9
213.12646	2.2
214.13681	1.8
269.15289	2.6
283.16919	3.1
287.16403	1.9
293.28522	1.9
296.14026	1.5
311.16409	15.1
329.17441	47.2
347.14557	2.8
347.18515	32.8
349.64914	1.3
435.68613	1.4
473.32700	2.9
509.24014	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
67.05491	2.5
67.81357	1.2
69.03405	3.0
69.07057	1.9
69.91479	1.5
70.06586	1.6
79.05472	5.9
81.03367	1.5
81.07044	2.7
84.96019	1.5
85.02898	2.5
85.06530	1.8
86.09735	1.5
91.05467	16.5
93.07027	4.1
94.04167	3.6
95.04975	3.3
95.08604	2.4
97.02872	1.4
98.21524	2.4
98.97571	3.5
103.05454	3.8
105.07014	9.7
107.04947	6.6
109.02847	1.8
109.06493	2.0
110.05939	1.3
115.05441	4.1
116.98648	1.3
117.06987	4.0
119.04916	8.9
119.08566	2.6
121.06524	6.2
122.03627	7.0
123.08041	3.4
128.06226	2.8
128.98578	1.7
129.06999	7.5
131.04892	6.0
131.08585	2.0
133.06497	3.8
133.10120	1.9
135.04390	3.3
135.08028	5.7
136.05162	2.1
137.05960	100.0
143.03360	1.7
143.04906	2.0
145.06448	3.5
146.03659	1.7
146.07240	4.0
147.04381	5.0
147.08023	3.3
148.05191	2.2
149.05945	5.6
149.09630	2.3
151.03874	3.1
151.07526	42.6
153.01820	13.6
157.06474	5.9
159.07915	1.5
160.05141	2.1
161.05962	70.6
161.09593	13.9
162.06522	1.3
163.07529	7.9
165.06976	3.4
165.09157	6.4
167.06995	6.4
167.08432	1.8
171.08066	1.8
174.06747	4.9
175.07513	25.9
177.00749	1.7
177.05524	1.5
177.07050	1.2
177.09120	5.8
179.06999	1.5
179.08456	2.2
187.07550	2.4
189.09084	40.0
191.10646	1.6
194.07121	1.5
195.08099	3.9
195.10133	21.2
201.09052	1.4
205.06432	2.9
206.07301	1.4
207.10126	39.6
209.09654	2.3
210.06670	2.7
211.07555	1.6
213.09044	1.7
219.08026	2.7
221.06003	1.9
222.06877	1.4
223.07523	2.0
224.08286	1.5
225.08977	4.1
233.05875	2.1
234.06740	2.7
235.07567	3.4
237.02875	1.5
237.09024	7.8
239.06975	2.0
239.10637	3.2
241.08545	1.8
247.76802	1.4
248.08197	1.9
249.09077	7.1
250.06297	2.9
251.06940	2.4
251.10760	1.7
253.08556	4.5
255.06448	1.9
255.10245	1.7
261.09198	1.9
263.10645	2.4
263.14819	1.4
264.07733	1.5
265.08578	9.5
265.81204	1.4
266.09137	1.6
267.10117	3.1
269.08002	2.0
270.08893	2.6
272.57129	1.3
277.08652	8.2
277.11554	1.6
279.10123	4.7
283.09644	6.7
285.11160	7.8
291.10095	3.4
293.08170	1.9
293.11514	1.8
295.09644	3.2
296.10440	1.6
297.11203	16.0
298.11691	1.3
299.12769	5.2
305.11517	2.9
308.10226	2.1
309.11169	5.0
310.12036	1.4
311.12766	18.7
317.13882	3.0
323.12711	6.8
329.14005	2.7
335.13104	2.9
337.14236	14.9
343.15469	2.2
347.07367	2.2
355.15332	13.1
367.15396	7.0
433.16132	1.4
447.18112	1.5
449.16766	8.2
459.18399	1.4
465.18747	1.6
479.20477	3.5
491.20599	3.1
509.20944	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	509.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15209	1.1
53.03923	2.0
55.01852	3.1
55.05493	3.9
56.96541	1.5
61.00324	1.2
62.33564	1.4
63.34148	1.3
67.05489	3.7
69.03419	2.0
69.07054	9.7
71.48613	2.2
73.02892	1.8
79.05482	4.8
81.03396	2.1
81.07023	5.8
83.04948	1.2
83.08576	1.5
85.02877	3.2
85.06534	1.7
87.05578	4.4
87.70180	1.4
91.05466	17.8
92.08317	1.2
93.07017	5.6
94.04165	2.6
95.04961	4.7
95.08588	4.1
97.02896	1.5
98.97541	3.0
101.11008	1.4
103.05434	4.7
105.07024	10.3
107.04951	9.6
107.08582	3.9
109.06503	3.7
109.10089	1.9
113.84082	1.2
115.05469	7.8
116.98638	2.2
117.06990	5.8
119.04941	7.9
119.08556	3.0
121.06490	9.0
122.03651	8.5
123.08046	4.3
127.03855	1.9
128.06195	4.1
128.98564	1.9
129.06982	9.7
131.04889	7.9
131.08543	5.3
133.02817	1.8
133.06476	3.0
133.10107	2.8
135.04367	1.7
135.08047	5.0
136.05151	2.8
137.05960	97.9
141.07034	1.3
143.03351	1.5
143.04918	2.9
144.05705	1.8
145.06465	3.4
146.07248	3.4
147.04378	4.5
147.07983	3.1
147.11815	1.3
148.05170	4.2
149.05943	5.1
149.09584	1.6
151.03880	2.5
151.07526	43.3
153.01814	15.0
157.06483	7.0
159.08046	2.3
160.05185	2.3
161.05963	100.0
161.09595	24.6
163.07558	10.1
165.05545	1.6
165.06981	3.5
165.09113	5.5
167.07024	4.7
170.99635	1.4
173.05878	1.5
174.06731	6.4
175.07526	22.6
177.05508	2.8
177.09084	6.4
178.07747	2.0
179.06973	2.2
179.08430	2.1
181.06435	2.5
187.07466	2.6
189.00670	1.4
189.09079	53.1
191.06955	2.2
191.10535	1.6
193.06297	2.3
194.07318	2.7
195.10121	23.6
197.06015	2.2
199.07518	1.6
205.06458	4.1
206.07150	2.9
207.08234	2.2
207.10124	60.5
210.06573	2.5
211.07483	3.2
213.09061	2.0
218.07285	1.8
219.08040	4.0
219.10162	4.8
221.05981	3.2
221.09636	1.9
223.07468	2.9
224.08408	1.6
225.09004	4.5
233.09550	1.9
234.06682	2.5
235.07486	3.3
236.08292	1.6
237.02679	2.1
237.09090	4.6
239.06738	1.8
239.10750	1.9
247.07535	2.5
248.08295	2.6
249.02901	2.4
249.09055	6.6
251.07051	2.9
251.10625	3.5
252.07758	1.8
253.08525	4.5
255.06412	2.0
255.10193	2.1
261.09039	3.0
262.06052	1.8
263.07053	1.8
264.07849	3.3
265.08588	11.1
267.10196	6.8
268.07266	1.8
269.07889	2.8
270.08862	2.6
271.09637	1.7
277.08691	6.6
277.11725	1.8
278.09091	1.3
279.10172	5.5
281.08124	2.2
283.09534	5.2
284.10269	2.0
285.11295	7.8
291.03644	3.3
293.07861	1.7
293.11560	2.0
295.09512	2.9
297.11203	17.1
299.12653	4.0
305.11725	3.8
309.11151	5.4
311.12805	17.6
317.13727	4.2
323.12711	5.8
337.14267	13.7
341.13922	3.3
343.15146	3.6
347.07391	3.7
349.14215	2.8
355.15381	11.2
367.15320	7.8
377.01645	3.4
461.16974	2.3
479.20398	6.0
491.20557	2.5
509.21423	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	509.1288
Annotation	Myricetin 3',4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01860	0.7
55.05493	1.4
56.96556	0.8
57.03415	1.3
59.18288	0.4
61.02907	1.7
61.03191	0.4
63.19313	0.4
65.56868	0.4
67.05489	1.2
67.40012	0.4
69.03070	0.4
69.03419	4.8
69.07052	1.2
70.06557	0.6
71.04963	0.7
71.58663	0.7
72.65038	0.3
73.02898	1.2
74.18829	0.4
79.01829	0.4
79.05486	2.3
81.03397	1.6
81.07037	1.8
83.04958	1.0
83.08601	0.7
85.02897	8.2
85.06516	1.1
86.09701	0.5
87.04440	0.8
91.05467	2.7
93.07024	1.2
95.04953	0.6
95.08587	1.3
96.11648	0.4
97.02883	3.0
97.06501	1.2
99.04382	0.8
100.11263	0.8
103.03900	0.8
103.05437	0.7
105.07008	2.1
107.04925	1.3
107.08563	0.9
109.02853	1.3
109.10137	1.3
111.04388	0.7
111.08028	0.5
119.04944	1.5
119.08585	0.8
120.08082	0.4
121.02865	2.7
121.03654	0.4
121.06470	1.2
121.10107	0.6
123.08035	0.6
127.03869	2.2
129.07002	1.7
131.04887	1.0
131.08589	0.4
133.02812	0.5
133.06491	0.7
133.10098	0.9
135.08009	0.5
137.05959	5.4
137.09613	0.9
141.06943	0.4
145.02791	0.7
145.04927	0.7
146.07228	1.1
147.04433	0.6
147.72382	0.4
148.05112	0.7
149.09572	1.1
149.13295	0.6
150.03110	1.4
151.03911	1.0
151.07491	2.9
153.01793	7.7
157.06526	0.5
157.08504	0.7
161.05966	26.9
161.09602	6.5
163.03928	0.6
165.06947	0.7
165.09097	3.4
167.06963	0.7
174.06737	0.6
175.03877	0.6
175.07596	2.1
177.05472	1.0
177.09082	0.5
179.07054	0.6
182.15401	1.1
183.10117	0.9
184.10463	0.8
189.01759	0.6
189.09099	12.4
191.06982	0.6
193.06618	0.5
195.10097	2.2
205.04932	0.6
207.10139	19.1
207.13519	0.9
208.14160	1.1
209.05888	0.4
210.14900	1.8
221.05992	0.7
226.98524	1.1
229.04973	1.1
233.04462	1.3
233.50533	0.5
237.05443	0.8
238.14339	0.9
243.03049	0.5
244.03645	0.9
257.04388	0.9
258.05170	2.8
259.06030	0.9
261.00308	3.2
261.03943	4.3
265.08682	0.7
267.10114	0.7
269.04349	0.8
272.03262	0.5
273.03885	0.6
283.09448	0.6
285.03979	0.7
285.11154	0.9
286.04605	2.0
287.05453	1.1
289.00165	0.8
289.03320	4.4
292.27258	0.5
293.04559	0.7
297.11182	1.2
299.01874	0.4
300.02710	0.6
301.03375	1.5
302.04034	0.5
303.01572	0.8
303.04929	2.1
304.05692	1.2
311.12677	1.5
311.16229	0.4
313.03510	1.0
315.05096	2.2
317.02878	7.5
321.03439	0.8
323.05530	0.7
329.17493	1.0
331.04453	5.5
332.05225	41.3
333.05807	0.7
339.05017	1.8
345.05923	0.6
347.07565	100.0
348.07935	1.7
349.03326	1.2
351.05096	1.0
367.04532	2.3
389.08694	1.2
395.04013	2.2
427.06570	0.6
465.86179	0.5
479.20612	0.7
509.12790	5.6
509.33371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3676
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03934	2.3
55.01852	1.3
55.05504	26.3
57.03427	7.9
57.07071	8.1
59.04982	2.5
65.03920	4.9
67.05497	100.0
68.28706	1.2
69.03423	2.5
69.07056	15.2
70.72836	3.6
71.04973	4.6
71.08609	4.2
79.05057	1.6
79.05485	26.0
81.07047	66.6
83.04945	3.5
83.08608	16.4
85.06536	2.5
85.10178	1.6
91.05467	20.3
93.07031	36.7
95.04958	2.4
95.08596	44.3
97.06504	3.5
97.10154	16.2
99.08073	1.9
105.07020	16.8
107.08575	25.0
109.06485	1.5
109.10142	56.4
110.01431	1.0
111.08061	4.6
111.11724	1.6
117.07009	6.9
119.07792	1.5
119.08578	18.8
121.09323	1.1
121.10136	16.8
123.08062	1.9
123.11712	9.8
125.09596	11.9
129.06975	2.7
131.08568	10.4
133.10121	13.0
133.73083	1.2
135.07994	1.9
135.11684	11.7
137.09590	1.9
137.13213	4.1
139.11133	2.9
143.08565	2.3
145.10078	9.5
146.87160	1.2
147.11656	8.2
149.09608	1.2
149.13257	9.7
150.63470	1.2
151.14778	1.9
153.09126	2.1
155.10620	1.7
157.10091	2.1
159.11667	8.9
161.13257	7.3
163.11192	1.2
163.14766	3.5
171.11670	2.2
173.11705	14.3
173.13239	5.9
175.14824	1.7
177.12627	1.4
183.11697	1.9
185.13239	2.6
187.14766	3.8
189.11205	9.4
199.14838	2.5
201.16452	2.1
223.16798	1.7
225.16360	1.3
227.12712	12.6
227.17969	1.5
229.14328	28.8
231.15811	1.4
243.21091	4.1
245.22643	1.3
259.20557	3.0
261.22070	21.8
263.23642	1.9
279.23050	1.7
289.21637	2.1
303.23077	1.6
317.24652	3.2
333.24103	2.3
335.25702	16.1
379.29803	2.7
397.30841	9.3
406.18484	1.2
415.32059	10.3
433.33084	6.4
435.30673	1.2
471.34756	6.0
489.35645	39.9
490.36340	1.5
507.36905	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.1
55.05510	23.9
57.03425	12.6
57.07068	16.2
59.04978	3.0
65.03925	2.8
67.05495	77.7
69.07063	13.1
69.81776	18.6
71.08622	8.2
79.05481	17.7
81.03393	3.6
81.07050	47.1
83.04991	3.8
83.08614	18.6
85.10155	5.9
89.62376	2.5
91.05457	17.4
93.07026	28.4
95.08599	39.7
97.10147	13.7
98.20821	3.5
105.07007	12.9
107.08610	18.6
109.10144	47.1
111.11729	4.5
117.07001	7.5
119.08553	13.5
121.10111	13.3
123.11691	6.4
125.09626	9.8
131.08595	13.0
133.10121	10.1
135.11665	8.3
137.13249	3.4
145.10048	5.5
147.11693	7.4
149.13217	7.9
159.11736	9.4
159.52184	3.0
161.13223	3.6
163.14830	3.1
173.11713	8.8
173.13165	6.4
174.98553	4.9
175.14925	3.4
185.13223	4.1
187.14838	3.8
189.11224	8.8
195.00281	100.0
195.02025	5.9
211.03313	3.0
213.00095	9.2
222.51395	2.8
227.12674	3.2
229.14304	19.1
260.68835	3.2
261.22165	19.2
263.23880	3.5
313.27313	28.4
335.25854	15.2
335.96973	3.0
397.31113	7.9
415.32111	6.9
433.33322	5.3
471.34573	3.4
489.35736	34.1
507.27496	16.7
507.36551	29.9
517.62756	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	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.05025	0.4
58.04246	0.4
58.06610	0.4
60.07876	0.4
60.08159	6.5
64.46175	0.3
67.05485	0.8
69.07068	0.7
69.43751	0.7
69.44155	2.4
71.07361	3.5
81.07031	0.6
83.08603	0.6
86.09698	29.0
87.22633	0.3
95.08622	0.4
97.10144	0.6
98.21562	0.6
98.98435	2.5
104.10746	3.1
105.07009	0.4
111.98913	0.3
124.99993	20.4
125.84135	0.3
143.01033	0.5
184.07323	100.0
436.07806	0.4
490.32950	1.1
508.34320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1289
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.02982	0.3
57.03416	0.6
61.02642	0.4
61.02924	6.2
62.17052	0.3
65.03922	0.4
69.03413	1.2
69.87453	2.0
73.02919	2.0
85.02899	5.4
91.03939	2.8
95.01238	0.4
97.02879	2.7
105.03370	0.4
107.04942	0.5
109.02828	0.3
111.00837	0.5
121.02858	1.0
126.03058	0.4
127.03896	0.6
137.02312	1.1
137.05966	0.8
139.03896	3.8
145.04901	0.6
149.02330	0.3
150.03094	0.8
151.03879	0.5
153.01822	7.0
153.05476	3.7
154.06236	0.6
161.05911	0.4
165.01819	2.1
165.62158	0.3
181.04970	1.3
183.02855	1.2
201.05351	0.3
205.04997	0.5
207.06493	1.2
212.04662	0.3
213.05472	0.8
216.04402	0.4
227.03358	0.4
229.04974	1.5
230.05699	0.9
231.06580	0.7
233.04407	0.4
241.04955	0.8
242.19591	0.3
243.02731	0.5
244.03691	1.7
255.03043	0.7
257.04404	1.3
258.05255	6.0
259.05954	2.5
261.03833	0.6
269.04404	1.6
271.05524	0.3
272.03162	0.9
273.03720	0.3
283.02335	0.8
285.03870	2.0
286.04672	4.7
287.05466	9.1
289.03320	1.0
291.08731	1.8
300.02670	0.5
301.03442	0.6
303.04956	2.9
313.03387	0.8
314.04163	1.3
315.04990	3.2
317.02914	3.1
318.03650	0.4
318.07080	0.6
331.04471	5.7
332.05234	4.4
347.07574	100.0
348.07925	2.1
465.87036	0.4
527.93011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3675
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.02375	1.4
53.03931	4.0
55.01851	1.7
55.05257	2.0
55.05506	29.7
57.03431	8.6
57.07085	8.8
59.04982	1.9
67.05495	100.0
69.03391	1.7
69.06721	2.0
69.07062	23.9
70.72765	4.5
71.04976	4.4
71.08616	5.4
73.60639	1.6
79.05057	2.3
79.05483	36.0
81.03402	4.3
81.07046	77.8
83.04973	4.0
83.08618	18.1
85.06520	5.3
85.10155	3.1
91.05466	23.1
93.06472	2.7
93.07034	44.9
95.04960	6.2
95.08595	52.9
97.06495	4.0
97.10160	17.3
99.08069	2.0
105.07022	16.9
107.08586	28.2
109.06528	1.8
109.10144	62.4
111.08045	4.4
112.12453	1.9
117.06969	8.7
119.07800	1.6
119.08575	18.5
121.10141	15.4
123.11687	12.4
125.09581	12.5
128.45697	1.5
129.07018	2.0
131.08548	16.9
133.10112	15.8
135.08018	1.8
135.11641	12.5
137.09576	2.5
137.13217	4.8
143.08551	2.8
145.10121	11.7
145.11089	2.0
147.11667	11.3
148.67178	1.5
149.09586	2.0
149.13243	13.9
155.10602	3.4
157.10083	4.0
159.11671	10.8
161.13316	7.6
169.10077	2.1
171.11650	2.9
173.11710	13.0
173.13248	10.1
175.14780	5.0
177.16364	1.9
185.13181	3.9
187.14729	4.4
189.11212	11.8
225.16203	2.0
227.12720	9.6
229.14313	26.7
231.15721	2.1
243.21049	4.6
259.20547	4.8
261.22128	24.4
279.23346	1.8
299.23560	2.0
317.24686	4.7
333.24078	2.0
335.25763	19.6
379.29922	2.8
380.58627	1.8
386.81738	1.4
397.30869	8.6
415.31793	7.0
433.33109	6.1
471.34549	5.5
489.35721	41.9
490.35922	2.5
505.89496	1.8
507.36279	34.5
528.44678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.5
54.82314	2.8
55.05510	16.9
57.07064	10.3
57.21616	3.2
59.04964	3.0
67.05495	24.5
67.27225	2.7
69.03421	3.9
69.07063	41.6
69.35442	6.3
69.35841	21.0
71.04964	5.0
78.34137	2.4
79.05473	9.9
81.06573	5.9
81.07048	100.0
83.08596	17.4
85.02884	7.6
85.06517	10.4
91.05458	4.4
93.07029	27.9
95.08597	68.6
97.06499	6.8
97.10174	6.1
98.14932	3.2
99.08081	4.1
105.07008	5.5
107.08583	29.8
109.06451	3.2
109.10137	28.6
111.08059	15.0
111.11707	16.9
113.14995	2.8
119.08495	2.7
121.10111	12.4
123.11691	28.9
127.11189	4.5
133.10147	5.6
135.11659	15.8
137.13226	29.8
147.11661	4.0
149.13251	25.5
149.69164	3.0
153.12708	22.5
155.14249	7.7
161.13223	4.6
163.14827	6.3
167.14302	8.6
171.13676	4.0
173.15392	5.2
217.19458	3.0
279.26755	5.2
291.26825	14.9
297.27780	5.6
309.27872	28.9
327.28790	7.6
345.29950	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	507.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01865	2.3
55.05293	1.9
55.05507	21.5
56.96546	2.0
57.03419	3.1
57.07064	8.0
59.04983	3.0
59.40784	1.7
61.02925	2.5
67.05499	26.1
67.76154	1.5
69.03417	5.5
69.07058	68.4
69.47821	14.9
70.06585	4.5
71.01335	1.6
71.04981	3.4
71.08623	3.9
72.08147	3.5
73.02907	1.9
79.05484	13.1
81.03388	4.1
81.07048	100.0
83.08598	19.0
84.04469	2.1
84.08147	3.8
85.02896	16.3
85.06538	22.6
86.09712	4.4
91.05476	10.4
93.07034	34.6
95.04961	2.5
95.08596	68.6
97.02871	4.9
97.06521	8.6
97.10163	7.7
98.21587	2.1
99.04445	1.8
99.08083	16.7
102.44523	1.6
105.07023	13.4
107.08588	35.5
109.02873	3.1
109.06537	2.7
109.10142	36.7
111.08066	10.6
111.11698	22.6
113.09634	2.8
119.04893	3.0
119.08595	8.9
120.08056	2.6
121.10139	23.3
123.08070	1.7
123.11684	36.7
123.53813	2.0
125.09611	5.3
127.03906	5.0
127.11185	4.4
133.10092	5.8
135.11673	19.4
136.43820	1.6
137.05971	8.5
137.06961	1.9
137.13234	22.9
139.11166	15.7
143.08556	1.8
145.02841	2.9
147.04416	4.4
147.11646	4.0
149.13243	32.0
151.14824	4.0
153.01837	5.3
153.12697	14.7
155.14314	5.1
157.12250	2.7
161.13237	2.9
163.14873	13.1
163.16013	2.5
165.09053	2.3
165.16280	2.5
167.07066	2.0
167.14249	4.5
171.13817	3.8
173.15359	2.9
175.03969	2.2
177.05492	5.6
177.16353	7.1
191.17912	3.7
195.17514	2.8
200.66167	1.6
207.06520	4.6
213.18456	3.6
217.19525	3.7
230.64426	1.9
273.25757	5.1
279.26843	5.0
291.26791	18.6
296.88107	2.1
297.27798	13.2
303.04956	16.7
309.27869	34.7
315.29288	2.5
323.12903	2.2
327.28909	4.7
329.72415	2.5
345.29871	2.2
369.95804	2.2
375.19730	3.2
387.11020	2.2
445.22061	3.0
480.38824	2.0
507.24011	31.4
507.30951	3.4
508.25034	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	507.222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	5.1
57.03415	9.0
62.15044	4.3
69.03416	15.4
69.71229	19.3
69.71644	13.0
70.06600	5.9
72.67154	4.3
79.05500	5.1
81.03379	6.4
85.02879	19.3
87.98756	4.5
91.05470	11.6
92.53894	4.1
95.04944	16.9
103.05448	45.4
105.07042	5.7
107.04943	17.9
111.04427	4.6
119.04912	8.5
131.04910	54.1
133.06464	12.8
135.04373	7.5
137.05963	89.8
138.77385	5.1
143.04846	4.9
147.04378	12.4
149.05957	7.4
151.07520	75.6
153.01791	15.3
157.06433	5.1
161.06000	31.1
161.09596	8.8
163.07513	100.0
167.07042	13.1
175.07463	23.1
177.05447	6.2
177.09059	38.5
179.06955	6.5
181.08537	7.5
183.08054	5.2
187.07651	5.6
189.09140	35.2
191.06903	6.3
195.10118	7.2
201.09117	11.7
203.10680	9.3
207.10130	27.7
219.10114	9.7
221.11743	9.3
286.91418	4.8
303.04947	10.9
307.11835	8.3
313.14218	6.6
330.14001	6.1
331.15323	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	507.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99511	7.0
53.00702	6.7
55.05506	46.7
55.16816	7.7
57.07056	15.1
67.05491	41.4
69.07057	67.6
69.79677	55.1
70.06578	20.2
71.01368	7.8
71.05827	7.1
79.05479	34.2
81.07048	100.0
83.04970	14.6
83.08607	36.1
85.02898	16.5
85.06522	16.3
86.09688	25.9
91.05467	16.9
93.07018	38.8
93.64530	7.0
95.08599	96.9
97.10147	11.4
98.21532	8.0
100.07581	11.5
100.11240	43.5
105.07011	23.0
107.08577	42.1
107.09212	7.1
109.10152	53.3
111.04406	21.1
111.08091	12.9
112.07587	14.4
119.08551	21.0
121.10114	35.2
123.11691	29.7
128.07042	18.7
133.10130	19.5
135.11639	14.8
137.05927	11.3
137.09578	14.2
137.13193	18.2
147.11664	19.5
149.13200	26.1
153.01804	14.3
159.11760	8.6
161.13252	12.6
168.13824	74.0
181.93253	7.6
182.15372	36.5
196.13295	62.5
209.16444	16.3
210.14909	30.7
227.17516	7.9
291.26794	25.8
295.23819	23.5
303.05032	17.2
309.27853	19.1
312.26474	54.0
337.21301	9.7
407.92404	8.6
422.29926	29.4
507.28159	25.3
507.31757	10.5
507.38971	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1129
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.02384	0.2
53.03933	0.9
55.01871	0.4
55.05470	0.3
57.03426	1.2
61.02915	1.5
63.50154	0.2
64.76718	0.2
65.03938	0.3
67.01833	0.2
67.05486	0.4
67.17574	0.2
68.99770	0.5
69.03074	0.3
69.03422	4.5
71.01347	0.3
71.04983	0.6
71.11427	0.4
72.47049	0.2
73.02907	2.8
74.02437	0.2
79.05511	0.3
79.67773	0.2
81.03407	3.8
81.07024	0.5
85.02890	7.9
85.79511	0.2
88.03975	0.3
91.05460	0.5
93.03404	0.3
95.04958	0.6
95.08569	0.3
97.02879	2.6
98.97568	0.4
99.00771	0.2
99.04448	1.4
102.79276	0.2
103.03915	0.4
105.07029	0.3
107.04990	0.2
107.08607	0.4
109.02867	3.0
109.10133	0.3
111.00802	0.8
111.04381	0.2
115.03901	0.5
116.03416	0.2
117.06998	0.5
121.02874	0.9
122.07275	0.2
123.04400	0.5
127.03897	6.0
127.44401	0.2
133.04936	1.1
133.06458	0.2
133.10103	1.2
134.04477	0.7
134.10439	0.4
135.08026	0.3
136.46851	0.2
137.02321	3.5
137.03369	0.3
137.05984	0.5
137.09627	1.0
140.31561	0.2
145.02911	0.2
145.04927	2.3
145.06470	0.5
149.02330	0.5
149.05940	0.2
149.13266	0.2
149.56473	0.2
151.07491	0.4
153.01802	4.8
154.02106	0.2
155.04926	0.3
161.05933	0.7
163.03841	0.6
165.01820	2.1
165.09235	0.2
166.02603	0.4
167.07033	2.3
173.05981	1.0
175.07513	0.5
181.08354	0.2
183.02846	0.8
183.04317	0.4
187.04086	0.3
187.05965	3.7
189.09096	0.4
191.03357	0.3
191.06996	0.3
191.14232	0.3
195.02914	0.3
195.10109	0.2
201.05446	2.0
205.07040	1.5
205.08623	0.3
207.02936	0.2
207.06401	0.4
211.07637	0.2
213.05464	0.2
217.05002	0.2
219.06407	0.3
219.10057	0.3
229.04939	4.7
247.06004	0.9
257.04440	3.1
257.07092	0.4
260.05994	0.2
274.04797	0.5
283.08881	0.4
285.03864	0.9
299.05597	0.2
303.04947	100.0
304.05310	1.8
315.05127	0.2
343.14923	0.2
345.05890	0.4
359.14645	0.3
361.16623	0.3
369.06036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.2
65.03924	0.9
66.86609	0.6
69.03420	2.0
71.55998	1.0
71.56344	0.7
81.03383	1.7
85.02898	11.3
91.05465	6.1
96.63264	0.6
97.02871	3.0
101.54266	0.7
104.83418	0.6
105.07045	0.7
109.02885	1.0
119.04933	19.0
123.04441	1.5
127.03889	2.5
127.51637	0.7
131.36307	0.6
145.04935	3.7
146.97427	0.7
147.04391	100.0
148.04749	0.8
153.01794	3.0
154.02101	0.8
161.05965	0.8
163.05991	1.0
165.05455	57.4
167.07024	2.3
187.14468	0.7
192.07907	0.9
192.84865	0.7
197.03235	0.6
214.78325	0.7
221.08076	2.3
231.06454	3.6
277.03751	0.9
300.22705	0.7
303.01434	1.6
303.04962	3.2
309.09521	1.0
344.13431	1.0
385.11084	5.2
434.98193	0.7
507.07220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64339	0.8
51.02351	0.8
53.03946	4.5
55.01853	1.5
55.05500	11.9
57.03430	1.5
57.07072	41.0
59.71371	0.9
65.03922	2.1
67.05496	27.9
67.18767	0.8
69.03414	1.9
69.07066	12.2
70.84733	1.2
70.85077	2.1
71.04966	1.1
71.08628	33.8
74.85615	0.9
79.05485	12.2
81.03410	86.6
81.07047	29.8
82.03705	0.8
83.04971	4.1
83.08607	30.0
85.10176	15.3
91.05468	18.4
93.07025	8.3
93.35306	0.9
95.04961	24.1
95.08596	29.3
95.18404	0.9
97.02874	2.8
97.10157	8.6
105.07022	13.7
105.15057	0.9
107.04940	5.2
107.08595	4.7
109.06493	2.5
109.09439	1.6
109.10149	15.0
109.26647	0.8
111.04462	0.9
111.08083	7.8
111.11762	1.9
115.05397	1.5
118.07848	0.8
119.08565	12.3
121.06501	2.4
121.10127	3.9
123.04420	1.7
123.07989	1.0
123.11662	6.1
125.09624	1.1
125.13215	0.9
129.06987	8.5
131.08551	8.1
133.06505	2.3
133.10132	3.8
135.11682	1.1
137.09653	1.8
137.13225	2.2
142.07765	2.5
147.08084	2.6
147.11699	6.3
149.09613	4.0
151.14798	1.2
157.10123	10.8
165.12851	1.6
175.11169	10.2
193.12224	53.5
195.45625	1.0
221.22595	1.3
239.23674	9.9
249.14845	7.1
261.48074	1.0
275.22061	1.0
297.60699	1.0
505.38867	100.0
506.39108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35890	9.7
55.05502	18.1
67.05483	16.9
69.03410	11.8
69.07057	23.0
70.01508	16.9
70.01894	21.8
79.05490	13.8
81.07058	41.5
83.08607	13.9
85.02895	10.1
91.05465	22.0
93.07031	54.6
95.04959	24.4
95.08589	26.2
98.20775	8.5
104.65977	8.5
105.07033	25.9
107.08597	27.6
109.10127	24.9
118.77875	6.8
119.08568	12.7
121.06500	7.3
123.11671	15.1
123.89259	7.3
129.06973	8.2
133.10129	15.4
135.11662	9.4
137.09625	10.9
145.10117	11.8
147.11676	11.0
159.11613	10.6
160.41420	7.9
185.15468	8.9
206.52577	7.5
231.85442	7.4
281.75949	7.9
289.25311	15.7
295.26428	11.0
307.26340	21.5
401.11801	7.9
505.20135	11.9
505.27411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.2
55.96613	4.5
56.96556	8.3
57.07075	9.3
57.26859	4.2
67.05502	22.5
69.03430	13.4
69.07063	57.2
70.74247	15.1
71.04984	6.6
79.05495	27.6
81.03393	8.5
81.07049	100.0
83.04987	5.3
83.08604	12.9
85.02902	24.8
85.06523	12.9
86.09700	14.5
89.82458	3.9
91.05487	21.4
93.07029	36.7
95.04942	12.3
95.08604	65.5
96.21307	4.3
97.02875	9.2
97.06488	9.8
97.10171	9.9
99.04462	5.9
99.08084	7.9
105.07022	22.0
107.08601	34.2
109.06489	9.9
109.10149	37.0
111.08089	15.0
111.11722	8.4
119.08579	20.4
121.10149	14.1
123.11709	42.4
125.09583	5.8
127.03893	5.8
127.31123	5.6
131.08588	7.7
133.10132	16.5
135.11693	19.8
137.05981	7.2
137.09583	6.2
137.13237	14.1
139.11206	7.2
143.08557	7.3
145.02907	5.9
145.10081	10.9
147.04440	5.6
147.11691	8.5
149.13239	13.8
151.14812	5.1
153.01793	9.7
153.12761	10.8
159.11693	13.4
163.11174	4.6
163.14919	6.2
167.07016	10.6
173.13199	6.0
175.14902	5.9
177.05464	5.6
193.08466	5.2
207.06616	5.6
215.18042	6.7
222.07463	4.4
222.47412	5.0
237.18521	5.9
277.25500	6.2
281.15305	6.9
295.26144	10.9
307.26334	32.9
307.29382	5.3
325.27145	11.4
343.19186	5.0
424.20752	5.5
428.11444	4.7
449.25433	5.0
505.07214	9.2
505.25024	60.8
505.32092	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	505.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74508	8.6
57.07060	8.1
64.55379	8.6
67.05489	12.5
69.03410	13.9
69.07062	16.5
71.17178	18.1
79.05497	12.9
81.07044	32.2
83.08572	9.4
85.02864	19.2
91.05499	11.8
93.07021	42.4
95.04968	14.7
95.08613	26.1
105.07040	15.7
107.08600	20.3
109.10133	16.8
116.63422	8.0
119.08556	9.3
121.10121	19.4
123.11770	9.1
133.10121	12.7
145.10123	9.6
147.11714	9.5
181.22299	7.8
297.62125	9.4
307.26392	13.0
325.27441	12.2
370.84183	10.2
377.44235	9.2
505.27710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.7
55.01858	3.0
55.05502	14.8
56.96562	4.2
57.03415	2.9
57.07072	5.2
67.05506	15.9
69.03417	4.8
69.07055	39.4
69.88813	7.5
69.89226	9.1
71.04987	3.5
71.08607	2.6
79.05471	9.6
81.07050	39.6
83.04952	3.9
83.08606	14.5
85.02885	6.1
91.05473	15.6
93.07033	100.0
95.04963	17.2
95.08595	35.7
97.02905	4.9
97.06539	8.2
97.10155	6.5
100.30931	2.7
105.07007	14.8
107.08579	21.4
109.06482	6.2
109.10142	24.7
111.08069	12.0
117.07042	2.7
119.08563	10.3
121.06567	3.2
121.10123	24.2
123.08022	5.7
123.11728	16.6
125.09608	5.4
131.08539	2.6
133.10107	8.1
135.11685	7.6
145.10083	5.6
145.62358	2.9
147.11650	9.0
149.09560	3.5
149.13232	12.6
151.11092	3.3
153.01735	3.5
159.11700	6.2
161.13213	6.5
167.10616	5.0
167.14340	5.1
175.14954	4.2
189.16394	2.9
191.17888	3.8
201.16212	3.0
271.24283	13.7
272.14426	3.1
289.25262	20.9
295.26205	8.5
307.26270	54.6
325.27304	22.5
505.26907	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	505.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.6
57.07060	8.6
60.47363	3.5
60.81088	3.4
64.44070	3.2
67.05504	19.8
67.62263	3.1
69.03429	5.7
69.07054	47.4
71.17374	9.1
79.05482	15.2
81.07039	49.7
83.08590	20.0
85.02863	4.5
85.06529	4.4
89.06789	4.1
91.05465	16.3
93.07033	100.0
94.13428	3.5
95.04957	40.4
95.08589	45.2
96.70135	3.4
97.06507	7.5
97.10154	7.6
105.06985	18.1
107.08584	28.0
109.06535	5.2
109.10127	24.9
111.08046	20.2
111.11700	5.0
119.08575	11.7
121.06474	5.4
121.10127	26.2
121.37753	3.6
123.08083	6.2
123.11696	21.4
125.09622	3.5
131.08585	5.1
133.10135	8.3
135.11644	8.1
137.09610	6.1
145.10110	6.0
147.11646	8.0
149.13243	15.0
159.11670	9.7
163.14668	4.2
167.14305	9.8
175.14896	5.3
185.15379	7.7
191.17931	4.2
209.18904	7.1
221.97528	4.1
239.69041	4.2
271.24161	9.5
283.21292	3.7
286.14468	5.7
289.22128	5.1
289.25031	20.1
295.26215	17.6
301.07068	8.5
307.26263	54.3
325.27371	8.9
505.27304	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	503.3724
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03927	2.6
55.01860	0.9
55.05259	1.0
55.05506	16.8
57.03421	2.7
57.07071	4.1
59.04982	2.0
64.55516	0.7
65.03925	2.8
67.05497	68.1
69.06709	1.1
69.07062	12.4
70.83929	1.6
70.84304	1.3
71.04982	8.0
71.08617	0.9
79.05486	32.8
79.05958	1.6
81.03388	2.0
81.07047	100.0
83.04990	1.5
83.08607	7.3
85.06535	12.4
89.06036	0.9
91.05465	23.1
93.07034	30.7
95.04948	5.5
95.08594	22.9
97.06519	2.4
97.10165	3.2
105.04488	1.0
105.06301	0.9
105.07014	17.2
107.04885	0.7
107.08582	16.5
107.41213	0.7
107.46416	0.8
109.06504	1.3
109.10146	11.1
109.10818	1.0
111.08079	1.3
115.05444	0.8
117.06988	4.0
119.08569	12.1
121.10127	16.1
123.08092	1.5
123.11700	12.8
125.09714	0.9
129.06976	1.2
131.08563	8.7
133.08614	1.1
133.10126	16.9
134.07318	0.7
135.08046	2.1
135.11674	9.7
136.08444	1.0
139.11147	0.9
143.08528	1.3
145.10104	7.6
147.11671	5.4
149.13269	3.9
151.11157	5.6
157.10121	2.0
159.11685	5.8
161.13254	3.6
163.14874	1.0
169.10060	0.8
169.12271	2.4
171.11729	2.3
173.13251	3.7
173.78200	0.6
175.14893	1.4
183.64415	0.7
185.13271	1.2
187.13304	10.6
187.14813	1.6
199.14888	0.8
201.16312	1.3
243.15881	0.9
243.21176	0.8
261.22070	5.3
271.20691	0.8
295.17215	3.9
296.17633	4.6
333.24341	0.9
391.28949	1.2
393.31741	2.3
411.32617	4.7
429.33801	2.6
461.67685	0.8
485.36462	5.5
503.37457	87.8
504.37677	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73775	0.4
53.48591	0.5
55.05503	0.9
57.07037	0.5
67.05492	1.1
68.44716	0.4
69.03400	0.6
69.07066	1.4
70.62762	1.7
71.60604	0.4
77.61941	0.5
79.05495	0.5
81.03404	1.0
81.07036	2.1
83.08598	0.7
93.07035	3.2
95.04964	0.9
95.08607	2.2
99.04472	0.4
105.07024	0.7
107.04966	0.5
107.08575	0.9
109.10183	1.1
119.08547	0.7
121.10181	0.9
123.11688	0.7
128.13179	0.4
129.06943	0.5
133.10132	0.9
135.11815	0.5
137.05981	0.5
143.08633	0.6
149.13327	0.5
153.01810	0.7
185.04219	0.7
203.05241	8.1
214.92468	0.6
271.24158	0.6
283.49844	0.5
286.14334	0.7
307.26331	1.7
382.77573	0.6
505.27661	100.0
506.27890	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	505.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.5
56.22891	1.3
57.03439	3.6
57.07062	5.4
67.05501	8.3
69.07058	13.3
69.92036	8.5
71.08624	3.7
79.05512	3.8
79.18246	1.6
81.03403	2.2
81.07052	8.6
83.08621	9.7
91.05492	3.9
91.59140	1.4
93.07043	4.0
95.08618	4.8
97.06534	2.5
97.10163	5.8
105.07015	4.0
107.08590	3.8
109.10184	3.7
111.08093	1.6
120.27361	1.6
121.10172	2.2
123.11671	1.6
156.97522	2.2
165.67827	1.3
174.98506	7.8
176.99254	2.0
180.86220	1.3
195.00298	100.0
202.15851	1.5
213.00157	9.2
229.21848	1.3
231.01118	3.1
241.70024	1.7
269.02783	3.0
311.25861	14.1
313.22440	1.4
449.21698	3.5
505.24902	12.0
505.31393	93.9
506.31772	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	503.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.05505	19.1
57.03426	3.3
57.07066	3.8
65.03930	3.2
67.05499	63.6
69.07058	12.8
71.04979	8.1
71.08645	1.4
73.06554	1.0
79.05485	38.1
81.03404	1.9
81.07049	100.0
82.07380	1.7
83.04967	1.4
83.08611	8.5
85.06531	9.8
91.05470	26.4
93.07032	34.5
95.04973	5.5
95.08042	1.9
95.08601	24.5
97.06527	3.6
97.10150	5.2
99.30945	0.9
105.07024	17.1
106.05998	0.9
107.08585	18.2
109.06525	1.7
109.10139	14.5
111.08090	1.3
111.11729	1.1
117.07008	4.3
119.08572	14.2
121.10126	17.0
123.08064	1.9
123.11692	13.2
127.07510	1.1
129.06984	2.2
131.08554	10.5
133.10109	18.8
135.11674	9.0
143.08557	1.6
145.10126	8.3
147.10689	1.3
147.11656	7.4
148.54271	0.9
149.13261	3.1
151.11197	5.9
153.12726	2.7
155.08534	1.2
157.10126	3.0
159.11659	8.7
161.13220	5.0
163.14854	1.3
169.12259	2.2
171.11694	1.7
173.13245	5.4
175.14806	3.1
183.11771	1.4
185.13252	2.0
187.13293	8.8
187.14832	2.8
193.12164	1.2
197.13252	1.0
198.40074	1.0
201.16422	1.3
227.16397	2.2
243.21033	1.4
259.20444	1.1
261.22086	3.0
279.19003	1.2
296.19498	1.3
393.31430	2.8
411.32715	5.9
429.33557	3.2
433.03424	1.0
485.36331	6.9
503.37781	87.3
504.38184	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	502.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39415	0.6
71.57744	0.6
83.53549	0.5
94.06537	2.1
104.99237	0.6
116.04724	60.0
135.66795	0.6
160.03670	100.0
161.03970	0.6
181.61610	0.7
187.26178	0.6
193.62195	0.7
220.04489	2.6
224.10692	0.6
238.05585	0.8
304.94785	0.6
315.58670	0.6
365.10367	1.3
366.10873	1.0
387.08704	0.7
502.14957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30795	0.3
55.05492	0.7
61.19157	0.4
67.05490	0.8
69.03431	0.7
69.07051	0.6
71.59499	0.5
79.05467	0.5
81.07043	1.2
85.02896	1.3
91.05476	0.6
93.07030	1.4
95.01094	0.5
95.04957	0.5
95.08591	1.3
105.07021	0.7
107.08581	1.3
109.06554	0.6
109.10143	1.4
113.02095	0.6
119.08573	0.8
121.10141	0.8
123.11657	0.7
133.10094	0.9
137.05925	0.5
140.62973	0.4
145.10150	0.5
149.13223	0.4
159.07802	5.6
159.11772	0.4
175.07372	0.8
179.05246	0.6
185.04239	1.5
234.99043	2.5
237.20038	0.4
258.00507	0.4
269.28030	0.4
285.07892	1.2
286.49469	0.4
306.24127	0.4
323.10907	1.1
337.12463	0.5
338.13315	31.7
339.13699	1.2
341.10434	1.2
341.17123	2.5
503.22488	100.0
504.22708	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	503.2461
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
55.05495	0.6
67.05491	0.8
69.03418	0.9
69.07053	0.8
70.04060	0.6
70.04610	0.8
70.05018	1.9
71.04967	0.5
72.93768	0.4
73.02890	0.4
79.05495	0.7
81.07046	1.5
84.08135	0.4
85.02445	0.4
85.02892	1.9
91.05459	0.9
93.07045	1.3
95.08595	1.1
97.02879	0.7
97.06533	0.4
98.20869	0.4
105.06998	1.0
107.08581	1.5
109.02911	0.4
115.91510	0.4
119.08539	0.5
121.10113	0.6
123.11710	0.6
127.03963	0.5
133.10072	0.5
135.08008	0.4
137.05936	0.6
141.15587	0.4
145.10179	0.4
146.97383	0.5
149.09573	0.3
153.01845	1.0
177.05475	0.5
189.56213	0.3
190.23766	0.4
198.54401	0.4
203.05190	0.9
229.05200	0.6
234.99121	0.4
244.57712	0.4
267.06686	0.5
285.07858	1.5
323.12979	0.5
323.25735	0.5
327.49731	0.4
341.10544	0.8
341.19531	1.5
459.22006	1.0
471.22058	0.8
503.24606	100.0
503.31281	7.0
504.25082	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	503.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01865	1.4
55.05265	1.0
55.05513	17.3
57.03432	2.0
57.07088	3.3
57.07324	0.8
59.04993	1.6
65.03939	2.2
67.05502	65.5
69.03448	0.9
69.05221	0.7
69.07066	10.8
70.41503	0.6
71.04988	8.3
71.51034	1.7
79.05492	35.4
81.03434	1.2
81.07054	100.0
82.07417	0.7
83.04985	1.7
83.08611	7.3
85.06544	11.2
91.05479	21.5
93.07043	34.3
95.04970	4.9
95.08600	20.8
95.13510	0.7
97.06548	2.0
97.10200	1.7
105.07021	14.6
107.08591	18.0
109.06535	1.7
109.10155	11.7
117.06999	4.6
119.08578	10.3
121.10138	15.2
123.08090	0.6
123.11709	12.9
125.09697	0.8
127.07552	0.7
129.07039	1.8
131.08572	7.7
133.10126	15.6
133.11078	1.0
135.11690	8.7
139.11203	0.9
143.08617	1.2
145.10103	5.5
147.11690	5.3
149.09595	0.8
149.13283	3.6
151.11201	5.2
153.12808	1.5
157.10243	0.8
159.11671	4.0
161.13324	3.0
163.14821	1.1
169.12309	2.7
171.11780	1.3
173.13248	4.1
175.14911	1.7
185.13313	1.0
187.13289	10.3
187.14720	1.2
188.96657	0.7
199.14990	0.7
201.16446	0.7
217.38322	0.7
227.16574	0.8
243.21318	0.7
261.22363	2.7
317.25085	0.9
393.31839	2.0
411.32590	3.4
429.34216	2.0
485.36841	2.8
503.37930	67.3
504.38190	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	501.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08453	0.3
62.07376	0.3
69.07056	0.6
69.76308	0.6
69.76719	1.1
71.04114	0.3
76.70843	0.3
79.05492	0.4
81.03391	0.3
81.07046	1.3
83.04977	0.3
84.25602	0.3
85.02877	0.6
85.89684	0.3
91.05503	0.5
93.07032	0.7
95.04953	0.9
95.08604	0.9
97.02883	0.3
97.10169	0.3
98.21386	0.4
100.72559	0.3
105.07018	0.7
107.04958	0.5
107.08559	0.8
109.10155	0.4
119.08556	1.0
121.10146	0.6
123.08154	0.4
123.11779	0.3
127.07580	0.3
131.08543	0.4
133.10104	0.6
137.05952	0.5
143.05353	0.3
145.10146	0.5
146.97508	0.5
153.01845	0.4
177.05527	0.4
192.30832	0.4
192.32524	0.3
203.05229	3.1
211.63861	0.3
216.86119	0.3
265.17786	0.8
268.88834	0.3
270.90082	0.3
271.18130	0.3
277.64465	0.3
291.77792	0.3
306.90842	0.4
321.24011	9.4
322.24167	0.4
339.25082	1.1
358.37811	0.4
361.56088	0.4
381.25250	0.4
456.41208	0.3
495.90628	0.5
501.30304	100.0
502.24231	0.2
502.30835	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	501.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30778	0.5
55.05510	0.5
56.96547	1.0
67.05494	0.9
68.05763	0.5
69.03444	0.8
69.07058	0.9
71.59636	0.7
81.07037	1.9
83.04963	0.8
85.02900	0.8
91.05467	0.9
93.07039	1.1
95.08603	1.7
97.02892	0.7
105.07037	1.0
107.08563	0.7
109.10128	1.1
119.08571	0.7
121.10114	0.6
131.08603	0.6
133.10092	1.2
146.97397	0.7
148.63934	0.5
153.01826	0.6
177.05461	0.7
193.36043	0.5
252.06335	0.5
297.11124	0.6
339.24707	0.7
477.89493	0.6
495.90594	1.1
501.30267	100.0
502.30609	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	502.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49474	4.7
67.05484	4.7
67.35931	4.7
69.81293	5.5
71.59965	7.1
72.93771	7.1
79.06618	6.5
80.01308	5.4
80.82189	4.1
81.07042	6.1
90.04851	4.6
93.78804	4.4
95.08609	6.9
101.28211	5.5
107.08561	6.1
108.08908	4.4
109.10064	5.3
127.59190	4.5
148.93633	6.1
240.36665	4.8
255.06677	9.6
295.04727	5.7
310.61853	5.7
313.05420	14.2
331.06631	12.2
377.69229	5.2
381.11908	100.0
496.90536	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	502.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00048	1.9
56.96544	5.1
65.08768	1.8
69.03417	3.6
70.06579	3.8
71.57657	2.1
71.58018	2.3
78.51990	1.7
81.03390	7.9
85.02895	4.8
93.78032	2.0
97.02879	7.5
98.67544	1.8
98.97576	6.4
102.06059	2.0
109.02856	8.7
109.52249	1.8
116.98637	3.6
123.66796	1.7
125.02319	3.3
127.03910	9.1
134.99651	4.9
143.03371	5.3
145.04977	2.1
153.01807	100.0
163.03914	2.0
171.02861	11.7
189.01883	2.0
231.05484	2.2
297.06100	6.8
306.06506	2.3
315.06985	9.4
336.75061	2.2
451.15170	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	499.267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.0
69.83150	1.9
71.59992	2.8
81.07036	2.4
86.72816	1.7
95.08573	3.0
96.92695	1.8
98.97564	1.8
105.06990	2.2
107.78725	1.8
108.24873	1.8
171.94830	1.9
193.54713	1.7
355.21613	3.5
434.13770	1.8
499.26639	100.0
527.66547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2664
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
50.99401	0.9
55.93926	0.9
56.96557	6.2
67.05487	1.3
69.07063	1.5
71.59032	1.3
71.59431	1.7
78.14770	0.9
81.03412	1.5
81.07052	2.6
85.02885	1.7
86.09684	1.3
91.05457	1.2
93.07059	1.8
97.02837	1.0
98.97572	3.3
107.08540	2.2
109.02750	1.3
116.98591	4.3
119.08553	1.3
123.11675	0.9
127.03860	1.5
134.99632	2.5
137.06053	1.0
137.09593	1.3
146.99529	1.7
147.03290	1.2
158.99590	1.1
177.00679	1.9
219.01967	1.1
233.22713	1.2
237.02760	1.5
237.11578	1.7
267.10556	4.0
267.60892	1.8
277.14795	1.7
295.15704	3.5
321.17236	1.1
337.23495	6.7
422.52298	1.0
439.20032	11.8
499.26614	100.0
500.27051	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11717	0.2
56.96550	0.4
60.58558	0.3
62.34008	0.3
63.29880	0.3
67.05484	0.7
69.44300	1.1
69.44730	1.2
74.60345	0.3
81.07029	0.9
85.02898	0.6
91.05464	0.3
93.07034	0.6
95.08598	0.5
95.15082	0.3
98.97588	0.3
107.08541	0.3
121.10123	0.3
121.45473	0.3
128.50516	0.3
135.64279	0.3
151.11278	0.3
188.81752	0.3
193.27824	0.3
203.05237	3.1
244.16037	0.3
268.37845	0.3
269.17426	0.7
270.17850	0.9
319.22406	11.0
337.23331	1.1
379.23853	0.4
440.52991	0.3
499.28702	100.0
500.28854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2876
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
50.23297	0.3
52.50452	0.3
56.96558	0.5
57.82018	0.3
61.15083	0.3
67.05492	0.5
69.07066	0.8
71.58749	0.5
71.59162	0.4
71.81345	0.3
79.05502	0.5
81.07050	1.1
85.02876	0.4
91.05448	0.6
93.07024	0.5
95.08594	0.6
98.97596	0.6
105.07048	0.8
109.02873	0.3
109.06528	0.4
109.10141	0.5
116.98587	0.5
119.04900	0.4
119.08555	0.7
134.49463	0.3
137.09514	0.4
145.10100	0.5
153.01791	0.4
161.09608	0.4
176.55638	0.3
177.00655	0.3
178.16487	0.4
201.99715	0.3
203.05232	2.6
207.06519	0.4
237.02699	0.4
244.09610	0.8
304.35318	0.3
319.22369	7.0
337.23459	1.2
379.24380	0.4
499.28705	100.0
500.29080	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	499.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80730	6.9
53.03918	8.2
55.05507	31.0
57.03421	14.1
57.07062	7.3
61.02917	40.0
61.20612	6.6
67.05497	100.0
67.40868	6.9
69.03430	40.6
69.07059	37.9
69.33784	61.7
71.04970	7.8
73.02905	25.7
79.05478	32.2
81.03410	30.8
81.07059	95.6
83.08611	24.0
85.02905	64.0
91.03951	37.8
91.05462	38.2
93.07033	44.3
95.04994	11.8
95.08601	77.6
97.02886	52.6
97.06490	8.3
97.10172	14.4
98.20756	10.1
99.04472	10.8
101.02348	10.4
103.03947	8.5
105.07037	22.1
107.08582	28.4
109.10146	28.8
111.68089	6.0
117.07036	9.7
119.08554	17.1
121.10103	20.5
123.11715	16.4
127.03900	22.1
129.05511	9.7
133.10124	8.8
135.11691	13.3
137.13226	7.8
147.11755	13.6
149.13242	8.4
157.10023	7.6
161.13240	10.4
222.76736	6.8
263.23660	23.4
337.27374	76.3
499.33005	30.9
514.80304	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	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.5
55.01858	6.5
55.05500	32.1
57.03430	31.3
57.07059	7.3
61.02916	71.9
65.03917	3.5
67.05496	95.1
67.95514	2.0
69.03419	44.0
69.07059	39.1
71.01345	6.3
71.04994	5.9
71.08612	5.1
71.59806	2.0
73.02905	38.4
79.05481	32.5
81.03407	28.1
81.07047	98.6
83.04956	6.1
83.08606	21.9
83.85069	2.2
85.02892	71.8
85.06535	5.1
85.10184	2.4
87.04456	3.9
87.73840	1.8
91.03945	45.1
91.05459	22.0
93.07029	31.4
95.04942	7.3
95.08596	68.5
97.02878	60.3
97.06524	8.2
97.10164	12.3
99.04459	11.9
99.08082	4.0
101.02362	16.0
103.03937	7.2
104.10711	4.9
105.07021	18.0
107.08589	20.7
109.02877	15.2
109.06485	3.4
109.10137	29.6
111.04429	3.4
111.08099	4.4
111.11739	2.8
115.03925	5.0
117.07014	2.3
119.08560	15.6
121.10125	20.5
123.08009	3.3
123.11675	17.1
125.09647	2.0
127.03890	24.0
129.05458	7.0
131.08591	5.8
133.10098	12.8
135.11685	12.6
137.09570	2.3
137.13211	9.5
145.04927	11.5
145.10101	4.1
147.11682	12.5
149.13222	9.9
151.14799	5.2
153.12675	2.7
155.06992	2.1
159.11687	3.0
161.13255	7.7
163.14790	8.3
167.14360	2.2
175.14769	10.4
179.17873	3.1
182.53195	2.2
183.06537	4.9
183.11710	2.3
184.07307	3.2
189.16321	2.6
191.14386	2.9
201.07602	5.0
207.13739	2.1
215.10007	2.0
245.08336	2.1
245.22647	12.8
261.21954	2.4
263.23669	22.3
337.27322	100.0
365.26862	5.1
389.26572	4.0
445.29224	2.5
463.30164	3.0
469.07123	2.5
481.32098	5.7
499.32697	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	498.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76665	0.4
55.01847	1.2
55.05477	1.2
55.75839	0.3
62.09959	0.3
65.03912	0.4
67.05470	1.2
67.66474	0.3
69.03404	0.4
69.82117	0.8
69.82546	1.5
70.06564	0.5
71.04958	0.6
79.05462	0.6
81.07031	1.3
85.02867	1.2
85.03999	0.9
87.98347	0.4
91.05440	1.4
93.07005	1.1
95.08571	1.0
97.06510	0.4
98.20827	0.7
99.05558	1.8
105.06973	0.8
106.06493	0.7
107.08582	0.3
118.06555	2.5
130.05008	0.4
130.06526	0.5
131.04524	0.4
131.08542	0.5
132.08018	0.4
133.05183	0.6
134.05977	0.8
136.02116	0.4
143.08475	0.6
144.08052	0.5
145.02812	0.5
145.06094	0.5
146.05992	10.5
147.06741	1.0
150.03711	2.3
151.05750	0.5
152.05225	0.5
153.01788	1.0
154.03163	0.4
160.07610	0.5
162.05487	0.9
163.06085	0.4
164.01582	0.6
164.05328	0.5
164.07027	1.6
165.02373	0.4
166.03198	1.7
177.03215	0.5
177.05463	0.6
177.07318	0.8
177.12669	0.5
178.03185	4.7
179.03978	0.6
180.04755	1.2
180.06374	0.4
182.02666	0.9
188.10661	0.5
190.03120	0.7
192.04913	0.7
192.06511	6.0
193.07289	0.3
194.02693	0.5
195.03500	1.0
196.04265	3.7
200.10735	0.6
202.03212	0.6
206.08125	0.8
206.09894	0.5
212.03731	1.1
216.13785	0.6
218.06268	0.5
218.09996	0.4
224.03734	12.0
226.12242	0.5
228.13846	0.9
229.14554	0.4
230.15204	0.4
232.07806	0.7
232.11493	1.1
236.03696	0.8
238.05211	0.9
243.15866	0.7
244.09665	0.9
244.13338	1.2
245.10281	1.2
246.14807	0.4
248.03706	0.9
250.05415	0.7
254.11702	0.7
258.11172	0.4
258.14865	0.8
260.10971	5.1
262.12518	1.1
264.06860	1.8
269.17542	1.3
272.12802	4.8
273.13483	1.1
275.15103	2.9
276.10602	1.5
276.15881	4.1
276.29211	0.3
278.08472	3.5
278.12079	1.8
288.10461	0.9
290.12119	1.4
294.11578	0.5
304.15387	1.5
306.11563	38.2
307.11893	0.5
308.13104	4.4
314.11984	0.9
322.16534	2.1
324.12619	1.6
331.14529	0.5
332.13098	1.4
336.12637	4.5
342.11548	1.0
352.12091	100.0
353.12393	1.1
354.09311	0.7
354.13638	12.1
359.14154	1.6
360.12476	1.1
377.15222	3.2
378.13770	1.0
380.16159	0.4
388.12006	1.8
395.16364	4.8
406.13242	1.7
434.17581	0.7
454.99301	0.4
462.16934	0.7
463.15262	0.7
480.17978	20.0
481.16367	16.4
498.18976	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	498.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05503	6.5
56.96564	1.2
57.03431	5.9
57.07079	1.6
59.05007	1.0
61.02913	2.7
64.39716	0.8
67.05498	32.8
69.03439	2.1
69.07056	6.1
69.83587	1.5
69.83998	4.2
70.06573	1.0
71.04990	8.8
73.02908	1.3
73.06572	0.8
79.05478	9.1
81.03411	1.7
81.07049	47.4
82.07433	0.8
83.04969	2.1
83.08604	5.9
85.02916	5.8
85.06546	7.2
91.05471	10.3
93.07034	18.5
95.04966	3.2
95.08595	8.0
97.02887	2.6
97.06516	5.3
97.10128	1.0
98.21513	1.0
98.97556	1.1
99.08102	3.1
105.07027	5.0
107.08576	7.7
109.06525	2.4
109.10157	4.6
111.08064	2.6
111.84669	0.9
117.07025	4.2
119.08595	2.1
120.43844	0.9
121.10114	4.5
122.65942	0.9
123.11688	6.2
127.03896	1.1
131.08554	5.6
133.10118	11.0
135.08098	1.2
135.11664	4.3
137.09515	0.9
138.56032	0.8
139.07909	0.8
145.05038	0.8
149.13239	11.3
151.11203	4.2
159.11676	23.4
161.13254	2.2
161.94318	0.9
166.04886	0.8
169.10150	3.8
169.12283	2.1
173.04269	0.9
177.05507	0.9
177.11192	1.7
177.12730	30.7
179.14297	8.9
187.13271	5.6
195.13817	4.6
207.06660	1.0
213.14729	1.4
215.14276	1.0
243.15897	34.7
251.16423	11.4
269.17456	100.0
270.17892	2.3
301.20081	16.0
301.23431	1.1
313.18515	1.0
333.33627	0.9
373.14063	1.3
445.24301	5.6
499.28638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12409	1.4
51.43848	1.4
55.05509	1.8
67.05490	3.5
69.07056	4.1
69.34227	1.3
70.70739	1.3
71.33011	2.5
79.05474	6.1
81.07059	8.1
83.08614	3.0
91.05446	4.7
93.07036	5.8
95.04960	1.5
95.08601	13.7
97.06516	3.4
99.08052	2.7
105.07025	14.0
107.05011	1.9
107.08582	9.2
109.10136	6.8
119.08586	24.7
121.10143	10.2
123.11698	1.5
125.06001	9.9
131.08539	4.6
133.10126	20.5
135.08020	2.3
135.11639	4.7
137.09561	1.4
139.07533	5.6
143.66574	1.5
145.10106	10.6
147.11678	17.3
149.09532	1.8
149.13284	1.6
157.10158	4.3
159.08102	1.9
159.11726	3.6
161.09608	2.0
161.13239	4.7
169.10117	1.5
171.11661	4.3
173.09630	6.6
173.13240	2.6
174.30284	1.5
175.11157	8.4
177.09067	3.7
182.10938	1.4
185.13332	1.8
187.11171	8.5
187.14806	8.0
189.16367	100.0
191.10651	3.9
197.13222	4.2
199.92001	1.3
201.91057	1.4
203.17809	2.4
205.15846	4.5
205.19568	1.9
207.17438	2.7
211.14758	2.9
215.14313	18.0
229.15865	51.4
231.17424	7.9
233.15344	43.8
247.16917	18.3
249.18494	25.2
283.20551	1.9
324.73315	1.5
419.32959	4.2
437.34256	11.5
461.50180	1.5
479.35321	18.7
497.36209	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49753	0.2
55.05487	0.2
56.05025	0.5
57.07073	0.6
58.06610	0.5
60.08154	5.7
66.08741	0.2
67.05455	0.2
71.07364	2.7
71.08623	0.3
81.07037	0.3
85.10184	0.2
86.09695	29.0
87.10034	0.2
95.08614	0.3
98.21488	0.5
98.98450	3.1
104.10729	3.0
124.99988	19.2
143.00999	0.6
184.07315	100.0
185.07590	0.6
194.23524	0.2
212.59908	0.2
258.11014	0.2
478.32727	1.2
496.33994	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	497.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.1
69.04805	0.7
69.07049	0.7
69.67640	1.8
69.68063	3.1
79.01854	6.8
80.68640	0.7
81.07069	0.7
91.05475	1.4
93.06944	0.7
95.04977	1.2
97.02879	2.0
103.05459	14.9
105.07034	1.2
115.05448	1.4
117.06995	1.8
121.06429	0.8
122.03655	1.4
125.02336	3.3
128.06194	2.2
131.04921	31.2
137.05959	20.3
139.03897	0.9
143.03391	10.2
143.08527	4.5
145.06456	0.8
149.09502	0.9
151.07544	2.4
153.01817	100.0
154.02171	3.6
155.02290	1.6
160.05266	0.8
161.05888	1.2
163.07533	79.1
169.01309	2.1
171.08017	4.9
175.07576	7.5
177.09088	7.2
189.47609	0.7
195.10188	1.8
203.10692	2.7
221.11720	0.8
248.58725	0.8
283.09546	0.8
285.07581	0.7
297.07608	0.7
341.26462	0.7
373.12924	3.7
451.24500	0.7
479.17038	1.9
497.17532	1.0
497.27252	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	496.3394
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	0.5
56.05018	1.3
57.03421	0.5
57.07066	2.9
58.06573	1.4
59.07377	0.3
60.08155	17.8
67.05505	1.0
69.07049	0.4
69.50474	0.2
69.50815	1.6
70.06581	0.4
71.07366	7.0
71.08618	1.7
81.07043	0.8
81.20773	0.2
83.08614	0.4
85.10172	1.4
86.09695	51.6
87.10019	0.2
95.08589	1.0
97.10203	0.3
98.47852	0.2
98.98454	4.1
101.17184	0.2
102.88591	0.2
104.10730	100.0
105.11068	0.8
109.10133	0.5
113.13345	0.2
124.99989	29.3
137.00087	0.2
143.01053	0.6
163.01529	0.6
184.07318	95.2
185.07698	0.9
213.45255	0.2
258.11029	0.9
313.27402	1.9
318.61105	0.2
380.04047	0.2
419.25580	0.6
478.32910	8.0
479.32974	0.2
496.33917	24.0
497.34195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2586
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
51.25022	2.0
53.03937	5.5
55.01868	4.8
55.05506	6.9
56.20123	1.9
56.73952	2.2
57.07062	2.6
62.28588	2.3
67.05495	21.0
69.03425	7.7
69.07061	13.7
69.36296	23.1
78.74671	1.9
79.05486	33.3
81.03413	6.5
81.07047	31.7
83.04967	5.1
83.08607	2.9
85.02892	15.3
91.05474	35.6
93.03391	8.1
93.07037	27.6
95.04942	11.7
95.08602	19.3
97.02879	10.1
97.06535	5.5
100.11244	3.0
104.39083	2.0
105.07024	37.4
107.04937	6.2
107.08579	41.6
107.80499	2.2
108.08886	2.4
109.06502	9.0
109.10161	29.9
110.90128	2.5
111.04436	3.8
111.08058	15.2
115.05431	5.3
116.06280	2.4
117.07019	17.4
119.04893	2.7
119.08566	29.2
121.06509	8.5
121.10143	20.4
123.04461	4.5
123.08053	17.5
123.11697	10.3
125.09663	6.6
127.03935	2.9
130.31459	2.3
131.08548	25.1
133.06483	6.3
133.10114	18.4
135.08044	33.1
135.11664	7.0
137.06027	5.5
137.09593	29.7
137.13229	3.0
138.10368	16.6
139.11165	8.8
143.08563	4.9
145.06438	4.5
145.10100	6.8
147.08015	9.8
147.11693	13.4
149.09639	15.3
149.13219	5.5
151.07501	3.5
151.11192	4.1
153.01836	5.2
155.08633	2.5
157.10167	5.0
158.65488	2.9
159.08073	6.3
159.11696	7.6
161.09637	5.0
161.13315	2.4
163.07521	97.2
163.11110	2.7
165.08975	2.7
165.12766	3.7
167.07001	3.4
168.13828	2.4
169.10074	3.6
171.11699	2.3
173.13246	6.8
175.11136	4.2
175.14876	2.7
177.09094	8.1
177.12643	3.2
179.10643	4.1
182.15375	3.4
185.13199	2.2
191.10583	2.9
191.14246	12.4
210.14841	4.4
213.12720	2.9
224.79689	2.6
237.12677	2.7
255.17529	2.5
269.18933	3.4
271.20419	2.5
287.20062	2.7
297.18420	11.4
299.78851	2.4
315.19519	52.9
315.22955	4.3
318.03699	6.5
333.05823	22.5
333.20578	100.0
495.11407	2.8
495.29224	11.7
495.38925	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	495.2585
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
55.01848	9.2
55.05494	14.4
62.54887	8.7
67.05498	26.0
69.03430	13.8
69.07074	16.4
71.42354	11.4
79.05480	23.4
81.03413	100.0
81.07052	37.8
83.04987	12.8
83.08611	9.6
85.02897	13.1
86.20056	8.9
91.05476	17.5
93.07034	26.6
95.04969	11.6
95.08606	20.4
97.06507	10.1
104.85289	9.8
105.07051	10.9
107.08601	36.7
109.10181	20.1
111.08106	14.4
119.08580	16.2
121.10136	24.9
123.11718	13.2
125.09612	9.2
131.08586	12.3
133.10124	20.6
135.08044	20.7
137.09622	11.2
149.09644	17.0
151.11212	10.5
161.09723	9.5
173.13301	20.4
179.10672	32.2
187.14964	11.9
191.14383	29.4
205.15781	13.7
211.13330	9.2
233.15427	24.9
233.75604	10.4
269.19012	15.3
272.14560	23.3
297.18542	12.6
315.19519	55.5
333.06039	28.6
333.20529	34.7
500.69897	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	495.2584
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
55.05505	3.4
67.05495	12.7
69.07059	3.4
70.08038	2.2
70.08387	7.1
79.05477	11.9
81.07056	15.3
85.02908	2.3
91.04947	2.0
91.05457	13.0
93.07038	22.1
95.04934	2.6
95.08599	7.9
97.02872	2.0
105.07005	14.2
107.08583	14.8
109.02829	1.7
109.06534	3.3
109.10151	33.2
111.04441	4.3
111.08086	1.8
111.27770	1.8
117.06998	2.1
119.08582	9.9
119.60044	1.6
121.10129	67.1
123.08092	3.7
125.06026	2.6
129.07068	1.6
131.04926	1.6
131.08562	5.1
133.10089	12.1
135.08070	7.3
135.11688	6.0
137.05980	3.7
137.09584	20.5
139.07549	1.8
143.08568	1.4
145.10120	4.5
147.08054	4.6
147.11702	3.9
149.09601	52.8
151.11212	2.5
153.01801	10.8
157.10133	2.4
159.11629	3.5
161.09584	3.4
161.13228	2.1
163.07497	1.7
167.10690	1.7
171.11710	3.3
175.14816	2.1
185.13289	2.3
187.11212	2.6
189.16422	1.7
199.11134	1.9
226.81873	1.7
231.13916	1.7
262.00479	1.9
262.03308	1.6
269.19046	1.7
287.20056	18.3
297.18579	4.1
315.19522	100.0
318.03586	4.9
333.06046	9.4
333.20554	21.9
495.10855	2.0
495.24411	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1128
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
57.03414	0.7
57.96890	0.5
59.00144	0.5
61.02891	1.0
69.03416	3.3
70.94146	1.5
73.02888	0.8
81.03387	1.6
85.02905	5.8
87.04425	0.7
91.03912	0.6
97.02882	2.4
109.02859	0.6
126.03082	0.9
127.03910	1.3
148.27780	0.6
153.01826	4.8
166.02641	0.8
183.57300	0.5
216.04161	1.3
217.04990	0.6
219.02861	1.8
230.02109	0.8
233.04436	0.8
243.02853	0.5
244.03618	4.0
245.04414	1.9
261.03876	1.2
272.03091	1.1
273.03891	1.8
289.03378	2.1
290.04187	4.0
301.03363	4.7
317.02899	7.4
318.03687	45.9
331.04440	0.4
333.06021	100.0
334.06387	1.6
362.74496	0.6
375.07220	1.1
464.55505	0.6
495.11282	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	495.1132
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
61.02887	0.2
69.03419	0.5
81.03403	0.2
81.07076	0.2
85.02879	0.7
85.24339	0.2
86.09673	0.2
97.02891	0.2
101.13369	0.2
109.02872	0.5
126.03104	0.7
127.03928	0.3
135.07971	0.2
137.02339	0.4
137.05965	0.3
143.03400	0.2
148.42574	0.1
151.08617	0.2
153.01813	4.5
165.01903	0.2
166.02614	0.6
167.06992	0.3
179.03336	0.2
193.01315	0.3
205.04951	0.4
206.05682	0.2
208.03673	0.3
210.01689	0.2
216.04257	0.7
217.04956	0.2
219.02878	1.7
220.03645	0.4
223.86850	0.2
229.58485	0.2
230.02054	0.4
233.04437	0.4
234.01497	0.3
234.05212	0.3
234.38199	0.1
235.94576	0.2
243.02937	0.3
244.03648	2.8
245.04401	1.4
255.02826	0.2
261.03903	1.1
262.04694	0.2
271.02420	0.2
272.03192	1.1
273.03879	1.1
287.05444	0.3
289.03329	1.5
290.04190	3.2
301.03421	3.6
317.02893	6.3
318.03671	45.1
319.04044	0.6
333.06003	100.0
334.06335	1.8
369.96295	0.2
395.07678	0.1
408.28903	0.2
495.11301	4.2
495.18240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1129
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
54.56350	0.2
56.45736	0.2
69.49960	1.6
71.04974	0.3
74.81322	0.2
77.11474	0.2
81.03410	0.3
83.04884	0.2
85.02888	0.5
97.02835	0.2
98.20743	0.4
108.02151	0.2
109.02854	0.7
112.11236	0.3
112.50359	0.2
126.03111	0.8
136.01527	0.2
137.02322	0.4
137.05997	0.4
138.02995	0.2
142.39827	0.2
152.01016	0.2
153.00543	0.3
153.01810	4.5
166.02599	0.7
170.02098	0.2
177.05437	0.4
179.03365	0.3
188.04659	0.4
191.03249	0.2
193.01233	0.3
205.04977	0.5
206.05627	0.4
208.03671	0.4
210.01497	0.3
215.03490	0.2
216.04137	1.3
219.02806	2.0
219.77644	0.2
220.03648	0.8
230.02086	0.5
233.04433	0.5
234.05151	0.4
239.71649	0.2
243.03070	0.2
244.03630	3.3
245.04424	1.7
247.02190	0.4
255.02771	0.2
261.03839	1.3
272.03088	1.2
273.03912	0.9
289.03372	1.5
290.04208	3.4
300.02631	0.4
301.03391	4.0
317.02887	6.7
318.03671	47.1
319.03983	1.1
323.06424	0.2
333.06006	100.0
334.06445	1.7
383.07034	0.2
392.15201	0.2
495.11407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15437	1.2
55.05489	4.2
56.74974	1.4
57.03432	1.8
61.02907	2.7
63.22010	1.2
64.14272	1.3
67.05502	7.5
69.03426	2.8
69.07056	3.8
69.38757	13.0
71.01332	1.9
74.04368	1.3
79.05502	6.7
81.03397	3.5
81.07054	10.8
83.04985	1.8
83.08580	2.3
85.02876	4.5
91.05458	7.2
93.07014	6.1
95.04939	2.9
95.08588	3.3
97.02885	2.8
97.06465	1.5
98.21522	2.4
105.07005	5.5
107.08564	5.0
109.10109	2.5
117.07002	3.2
119.08552	4.5
121.10126	3.9
127.03905	1.8
129.06985	1.6
131.08549	2.5
133.10097	2.0
145.10110	2.4
147.11554	2.1
149.13239	2.3
159.11649	2.2
161.13284	1.3
169.09930	1.8
183.11633	1.5
185.04210	2.5
233.68925	1.3
238.72917	1.3
248.85065	1.3
318.03769	2.1
333.05923	5.8
333.20349	100.0
337.91403	1.5
377.03122	1.5
441.26111	1.6
459.26913	2.2
495.25424	89.0
503.12009	1.5
515.81317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.2
53.95705	0.8
57.03422	3.2
63.25216	1.0
69.03065	1.7
69.03424	19.6
70.06588	9.8
70.57413	3.1
71.01339	2.5
71.04975	2.4
81.03413	97.2
84.04520	0.9
85.02899	10.9
86.09686	5.6
91.05457	1.0
97.02874	4.6
99.04468	6.8
101.02390	3.2
105.03401	1.5
105.47983	0.9
107.04962	1.0
109.02872	40.3
120.08135	1.3
121.06492	8.0
122.06832	3.0
127.03908	8.6
133.02879	2.6
135.04430	1.1
144.77786	1.0
145.02803	1.1
147.04436	1.8
153.01828	5.4
154.02151	1.3
161.02325	5.0
163.03896	8.0
165.01859	2.0
179.03419	2.6
180.10204	3.7
181.01341	1.4
181.10539	2.6
187.03903	1.3
189.01814	12.0
191.03331	8.0
193.01389	1.9
201.01814	2.7
203.03409	3.3
207.02892	8.2
217.01324	27.1
218.02151	5.7
219.02856	10.4
221.00847	3.3
221.04390	1.1
229.01260	1.6
229.15532	3.9
231.02872	4.1
233.04356	1.0
234.01550	1.0
235.02356	37.3
239.01596	1.0
243.02800	1.1
245.00787	19.2
246.01625	1.7
247.00208	1.3
247.02370	6.2
249.03934	3.0
257.00763	1.8
259.02359	2.2
261.04044	2.9
263.01846	17.6
273.00308	21.4
274.01038	5.4
275.01877	4.6
277.03284	4.9
287.01874	5.4
289.03339	4.5
291.01367	11.2
300.99890	3.8
302.00534	1.4
303.01376	1.6
305.02994	2.5
309.02444	1.1
315.13406	1.1
319.00800	9.9
333.02350	19.0
333.14404	1.1
340.16220	1.1
351.03513	12.6
417.04333	1.4
421.04037	1.8
445.04108	4.6
459.05594	1.4
463.05118	4.5
477.06552	4.3
495.07666	100.0
496.08026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43749	0.6
51.61458	0.6
53.03941	5.0
56.96553	1.1
68.99774	1.2
69.03072	0.9
69.03423	9.7
69.90243	3.2
70.06572	1.6
71.01333	1.0
71.04983	30.1
81.03408	15.3
84.04490	2.1
85.02881	1.9
85.06521	1.5
86.09701	1.2
89.06028	0.9
91.05471	1.1
95.04953	1.1
97.02906	3.6
98.02163	0.7
99.04442	100.0
102.05489	1.8
103.05403	0.8
109.02866	8.0
111.04435	1.6
112.40136	0.7
113.06015	3.7
117.03385	3.2
119.04907	0.8
120.08092	1.8
121.06485	1.3
123.04408	1.8
127.03892	5.3
127.70055	0.8
133.02884	0.8
141.05443	12.5
145.02844	6.8
147.04384	2.8
149.05910	0.9
151.03874	0.9
153.01805	5.6
157.01064	1.8
161.02351	2.1
163.03943	3.2
165.01875	0.8
173.02344	1.0
175.03868	1.0
177.05435	7.9
179.03386	1.6
181.10521	0.7
189.01834	6.1
190.02621	0.7
191.03343	6.9
199.03685	1.5
201.01855	2.5
201.08720	1.0
203.03369	2.0
205.04939	0.9
207.02959	3.6
215.03419	1.3
217.01289	9.7
218.02148	1.9
219.02855	5.3
221.00861	2.5
229.01364	1.1
231.02809	3.6
235.02339	10.5
243.03043	1.0
245.00850	7.8
246.01413	0.8
247.02348	4.7
249.03992	2.3
249.12270	0.8
257.00766	0.7
257.04715	0.8
259.02414	1.9
261.03952	1.9
263.01913	4.3
273.00281	9.0
273.03470	1.2
274.01022	1.9
275.01840	5.1
277.03436	2.0
287.01843	4.5
289.03378	1.0
289.08441	0.7
291.01303	2.1
300.99860	3.9
303.01230	3.9
319.00897	2.7
323.00745	1.1
333.02255	1.6
333.05927	1.3
337.01834	21.5
337.05835	1.2
347.03857	1.1
351.03375	10.2
361.08960	1.5
365.04932	2.4
375.03546	0.8
379.09885	4.2
393.04449	1.9
403.02957	1.9
417.04529	1.5
421.04236	1.2
435.05548	17.8
463.05051	10.7
477.06442	2.3
495.10764	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	495.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05497	0.7
57.03420	0.6
62.49235	0.5
68.99783	0.7
69.03423	9.5
70.06590	0.7
71.04988	28.0
71.59045	0.8
81.03412	10.6
84.08111	0.7
85.02892	1.2
85.06526	1.5
91.05442	1.2
97.02864	1.7
99.04443	100.0
101.93137	0.6
109.02867	5.4
111.04428	2.5
112.11245	0.6
113.05991	2.5
117.30332	0.5
121.06470	1.1
127.03870	2.9
129.13799	0.7
133.02820	1.1
135.04384	0.9
135.21800	0.6
141.05437	5.1
145.02831	1.4
147.04448	1.1
153.01802	2.2
161.02327	1.9
163.03903	4.1
165.01854	1.0
173.02353	1.1
175.03851	1.1
177.01776	0.6
177.05437	1.5
187.03801	0.6
189.01817	3.9
190.02521	0.6
191.03366	4.0
193.01353	0.9
201.01811	1.7
203.03386	1.7
207.02907	2.4
207.06526	1.2
215.03406	1.1
217.01353	7.1
218.02092	2.0
219.02858	3.4
221.00758	1.4
221.04453	0.7
229.01361	0.8
231.02751	2.8
235.02403	6.6
243.03052	0.8
245.00833	5.6
247.02248	3.8
247.06000	0.8
249.03876	2.1
255.96527	0.6
257.00751	1.5
257.04736	0.6
259.02423	2.2
261.03943	1.3
263.01904	4.3
271.01984	0.6
273.00259	7.8
274.01169	0.6
275.01913	3.9
277.03516	1.7
287.01846	4.4
291.01373	1.5
300.99847	3.8
303.01318	2.2
319.00824	2.5
325.03531	1.1
333.02521	1.3
333.06134	1.2
337.01837	16.9
351.03421	11.6
365.05087	1.5
389.05078	0.7
393.04550	2.4
398.86258	0.7
403.02820	0.8
417.04367	1.7
435.05518	16.1
444.24609	0.6
451.11978	0.7
463.05014	9.0
477.06564	1.2
495.06772	4.2
500.81555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.16396	1.3
55.01868	3.7
55.05505	13.1
57.03424	2.4
57.07072	6.4
59.04979	2.3
67.05498	19.8
69.03423	4.3
69.07064	24.0
70.06581	2.4
71.04984	4.3
71.17955	3.4
73.02920	2.1
79.05482	10.5
81.03418	3.6
81.07053	33.1
83.04948	2.6
83.08614	19.6
85.02912	5.8
85.06562	3.5
90.01544	1.4
91.05492	8.3
93.07036	30.6
95.04963	5.3
95.08604	40.3
97.02891	3.2
97.06528	4.4
97.10184	4.5
99.08105	1.7
103.03168	1.4
105.07026	13.5
107.04932	2.2
107.08593	20.7
109.06505	3.2
109.10153	19.2
110.72633	2.0
111.04448	1.4
111.08094	10.7
111.11730	3.0
113.09683	1.9
117.07036	2.9
119.08601	8.6
121.10138	14.2
123.08070	3.6
123.11715	12.2
125.09607	2.7
127.03882	1.5
129.09114	7.0
131.08563	8.0
133.10121	10.3
135.08075	4.1
135.11670	9.0
137.06023	2.3
137.09651	2.7
137.13269	2.1
139.07562	2.0
139.11171	1.6
145.10120	6.3
147.11674	6.9
149.09625	4.2
149.13283	5.6
151.11197	3.2
153.01819	4.6
153.09093	5.8
153.12756	1.8
157.10109	1.8
159.11696	4.5
161.13327	4.3
163.11176	3.0
163.14806	3.0
165.09157	2.0
167.10796	1.9
171.11633	2.2
173.13257	6.0
175.14819	6.0
177.09154	1.6
177.16414	2.6
187.14830	5.3
193.08588	4.3
203.18004	2.6
205.15958	2.1
206.09058	1.4
211.02296	1.5
228.93224	1.7
233.22559	1.8
243.21063	13.2
261.22119	18.3
269.17636	1.7
279.23169	36.2
297.24243	100.0
298.24500	1.5
317.02817	1.6
318.03693	5.1
333.06009	10.2
494.28305	1.7
495.11133	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	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
55.66319	0.3
56.05022	0.5
58.06594	0.6
60.08160	6.8
69.07060	0.6
70.31318	1.5
71.07372	3.6
82.55370	0.4
83.08608	0.6
86.09697	31.1
87.43978	0.4
95.08624	0.5
98.98457	3.2
104.10732	3.9
107.08601	0.4
121.08314	0.4
124.99992	22.2
184.07323	100.0
185.07681	0.4
193.04987	0.4
476.31241	1.2
494.32553	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	494.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.05002	0.6
57.07044	0.5
58.06322	0.2
58.06590	0.8
59.07393	0.3
59.42652	0.2
60.08158	5.9
62.18179	0.3
64.85319	0.2
67.05461	0.6
69.07035	0.8
70.06550	1.1
70.99501	0.7
71.07369	2.5
79.05465	0.3
80.36334	0.2
81.07015	0.6
83.08561	0.3
86.09701	27.7
88.07590	1.1
95.08562	0.7
97.02809	0.2
98.98457	2.8
102.09126	0.9
104.10738	3.4
124.99996	19.4
128.41467	0.3
132.98694	0.3
143.00986	0.4
149.01279	0.4
149.02335	2.8
156.58493	0.3
182.25427	0.2
184.07326	100.0
185.07668	0.4
193.04951	3.7
237.07547	3.8
238.02835	0.3
250.13538	0.3
284.29471	3.1
285.73886	0.2
318.03525	0.3
436.14325	0.3
437.66653	0.3
458.27570	0.3
476.31601	0.8
494.34698	8.6
516.77698	0.3
517.02545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.9
56.17007	0.8
57.07055	3.1
59.04995	1.4
61.02916	1.3
67.05495	9.2
69.03416	2.2
69.07060	15.2
70.08186	5.8
71.04973	1.6
79.05487	3.1
81.03402	1.7
81.07048	15.5
83.08603	4.3
85.02896	3.2
85.06542	2.4
91.05462	4.1
93.07034	10.8
95.04922	1.2
95.08595	85.8
97.02868	1.1
97.06517	1.5
97.10172	1.1
105.07001	4.6
107.08564	8.7
109.10139	10.8
111.08077	6.7
113.09628	59.4
119.08564	4.3
121.10127	5.4
123.08051	3.6
123.11692	7.3
125.09584	1.5
127.03867	1.6
131.08533	2.8
133.10091	3.5
135.11641	4.6
137.09627	1.2
137.13234	2.7
141.09068	10.9
145.10071	3.1
147.11681	3.4
149.09592	3.0
149.13246	1.9
151.11159	1.0
151.70711	1.1
153.12738	2.6
159.10164	22.2
159.11644	3.0
161.13240	2.5
163.14729	1.6
173.13289	2.0
182.28766	1.1
187.14740	2.7
203.17960	5.5
209.86949	1.2
215.36003	1.2
227.34784	0.9
243.21040	4.6
244.09647	1.1
252.28952	1.1
261.22171	8.7
272.28992	1.2
279.23154	100.0
280.23428	1.9
297.24207	1.5
318.03677	2.6
329.89780	1.1
333.06061	5.2
362.83597	1.2
377.72443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19689	4.2
55.01859	6.3
55.05497	25.0
56.96563	6.9
57.07069	6.5
67.05499	46.1
67.54255	4.2
69.03423	9.3
69.07064	38.1
71.04983	9.7
71.59476	4.3
71.59918	7.6
79.05484	29.4
80.33282	4.4
81.03406	12.8
81.07051	100.0
83.04975	7.8
83.08601	21.9
85.02890	13.0
85.06527	17.9
86.09705	5.8
91.05457	22.0
93.07039	50.6
95.04953	21.7
95.08588	72.1
97.02868	8.9
97.06543	10.5
97.10123	8.1
103.95839	4.6
105.07011	34.0
107.04962	6.6
107.08573	53.3
109.06503	11.5
109.10152	46.4
111.04413	8.0
111.08062	9.2
117.06982	5.6
119.08598	23.5
120.83020	5.4
121.10124	36.8
123.05492	4.5
123.08018	5.7
123.11676	26.8
125.09613	6.4
129.06929	5.2
131.08563	12.8
133.06493	7.3
133.10104	21.8
135.08054	9.6
135.11700	26.5
137.05968	35.6
137.09573	6.4
137.13243	18.7
139.07549	30.5
145.10114	13.3
147.08044	7.6
147.11694	14.7
149.05940	13.2
149.09572	7.1
149.13219	16.4
151.07515	26.1
151.11153	4.8
153.01801	25.1
154.12254	11.7
157.10083	5.9
161.05864	5.3
161.13309	5.8
163.07529	6.2
163.11136	10.4
165.05435	8.3
165.09113	19.6
166.09468	12.3
167.07048	34.2
168.13866	6.0
173.13344	6.7
175.11137	8.5
177.09109	29.5
185.13345	6.4
189.16234	5.4
191.10692	6.1
193.08575	11.2
193.12169	5.9
195.10120	10.7
196.13368	6.0
205.12212	9.8
205.19466	9.3
237.11247	11.9
247.13336	6.3
276.07837	4.9
291.10132	6.1
292.03763	4.8
297.24210	13.5
301.25214	6.7
313.18002	7.5
323.12723	16.2
383.21921	6.9
403.65460	5.7
439.31726	8.8
457.33115	17.8
475.26575	9.7
475.34167	8.9
493.22079	6.7
493.28418	10.3
493.36975	9.6
495.65198	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	494.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28091	0.9
51.02387	0.8
53.03933	1.5
53.77243	0.9
64.37557	0.8
65.66502	0.7
69.03413	2.5
70.01485	3.8
78.24667	0.8
79.01865	1.0
81.03408	10.2
85.02898	1.2
91.05474	2.8
93.07044	6.3
97.02858	2.7
98.21608	0.9
99.04451	2.0
103.05505	4.3
107.08563	1.4
109.02872	4.4
121.06497	100.0
122.02715	2.0
122.06841	1.3
123.63803	0.8
125.02327	2.7
127.03905	4.4
135.11696	0.9
138.09140	12.9
143.03413	3.9
147.11624	0.8
153.01822	51.0
162.67601	0.8
166.37164	0.9
171.02893	6.1
180.10190	64.6
211.07503	0.8
217.01271	1.5
222.09381	0.8
235.02289	2.5
245.00705	0.9
273.00497	1.1
297.06143	4.6
315.07040	3.1
332.15576	1.2
333.02402	1.6
495.07733	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	493.352
Annotation	Phlomishexaol A
Peak:m/z	Relative Intensity
51.17419	3.4
53.03949	4.4
55.05510	30.5
56.96551	4.0
57.07066	6.3
59.04987	3.4
67.05499	46.4
69.03428	12.5
69.07063	100.0
70.24549	8.8
70.24922	6.7
71.04976	10.2
79.05478	21.6
81.03419	7.7
81.07049	74.2
83.04966	10.0
83.08604	22.9
85.02856	4.1
85.06532	5.2
91.05470	20.2
93.04242	3.3
93.07033	50.4
95.04940	10.6
95.08596	42.5
97.06511	10.9
97.10183	5.8
98.21438	3.6
99.04433	4.3
99.08083	4.9
105.07019	32.0
105.98958	3.6
106.06557	3.5
107.08583	44.2
109.06514	13.7
109.10143	69.5
111.08079	13.3
111.11694	17.5
117.07023	7.0
119.08584	15.8
121.06521	6.3
121.10142	14.9
122.62057	3.9
123.04436	4.2
123.08070	11.9
123.11689	29.2
125.05965	10.3
127.03880	5.3
131.08578	10.9
133.10088	20.0
135.08037	10.5
135.11679	23.4
137.05997	17.4
139.07532	60.1
145.10156	11.6
147.11681	26.3
149.05942	4.5
149.09605	13.8
149.13254	16.0
151.06381	7.1
151.07515	60.7
151.11134	7.4
153.09055	4.6
153.12701	22.1
157.10187	7.5
159.11661	7.5
161.09641	5.9
161.13220	6.1
161.35393	3.9
163.11159	7.2
165.05444	18.6
165.09131	11.1
165.12781	4.6
167.07076	10.6
173.09581	5.5
173.13216	5.8
175.07568	7.0
175.11140	11.1
177.09091	66.6
179.07019	10.8
187.11115	4.4
191.10648	4.8
193.08548	19.8
193.12262	15.3
195.10062	4.6
197.09637	7.2
203.10684	5.9
204.20593	4.4
217.12253	3.9
227.12790	13.0
237.11215	5.5
247.16908	6.6
257.10330	3.4
263.20145	8.4
269.10596	4.7
271.16855	5.4
289.17831	5.9
303.19412	6.3
305.21136	11.3
313.17917	7.0
319.26294	6.9
331.19022	9.2
375.10803	3.5
411.32458	4.4
415.32141	5.8
429.33597	10.3
433.33163	5.2
439.32266	21.4
447.34659	6.4
457.33176	59.9
475.28137	3.1
475.34183	83.5
493.27585	13.4
493.35049	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	493.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05494	2.8
53.03922	4.0
55.05494	6.3
65.03919	3.4
67.05486	11.3
68.19045	2.7
69.03417	7.1
69.07057	7.1
71.02023	7.0
71.05004	4.0
75.04467	10.7
79.01840	3.4
79.05482	39.3
81.03417	7.4
81.07040	14.1
83.04970	10.2
83.08607	3.6
85.02893	13.9
91.05478	27.7
93.07037	38.3
95.04944	12.3
95.08595	13.9
97.06501	14.5
103.05450	13.9
105.07018	37.2
107.04939	10.5
107.08591	5.5
109.06513	12.7
109.10114	6.9
111.08060	4.1
115.05434	5.4
117.07022	3.4
119.04939	8.7
119.08593	6.4
121.06485	11.2
121.10099	5.5
125.02335	8.3
131.04883	14.3
131.08543	3.1
132.05649	4.9
133.06459	25.3
133.10068	4.4
135.04422	3.3
135.08122	3.1
137.02316	12.8
139.07550	5.4
145.10046	4.4
147.00720	3.7
147.04430	4.5
147.11708	5.0
149.06024	7.1
149.09598	4.3
149.13281	3.8
151.07541	10.9
152.06123	6.5
153.01756	15.4
155.08536	7.1
159.04411	7.5
161.05983	23.1
163.07558	11.2
165.01785	14.6
165.06969	8.4
165.09087	6.4
167.03339	4.1
167.08539	6.3
169.06438	5.5
175.00238	3.9
177.01817	29.0
177.05446	7.0
179.07054	5.3
179.08539	4.6
181.01303	34.7
181.08652	4.9
183.08043	8.4
187.03912	3.8
188.04799	4.4
189.01816	5.4
189.05482	8.1
191.03453	5.5
191.07051	13.2
193.01369	10.6
193.04959	3.8
193.06491	14.0
193.08543	18.7
195.08031	15.1
197.00801	3.4
202.99748	36.8
205.01337	8.6
205.04865	3.9
205.06491	10.2
207.02907	4.3
209.00830	10.8
211.07520	16.4
213.05495	5.3
217.01323	8.3
219.06529	16.5
221.00807	31.2
221.06093	26.7
221.08063	7.5
223.02385	9.5
223.07494	18.4
224.03218	4.0
229.04958	4.3
230.99217	7.8
233.05951	6.1
235.02345	13.9
235.07411	4.7
239.07031	25.1
241.08463	7.6
242.05798	3.2
243.06535	4.4
245.00766	6.3
249.00276	94.3
249.05618	19.2
250.00569	3.2
250.06207	3.2
251.06969	20.6
251.09145	4.2
253.05055	6.1
255.02907	5.4
257.04465	7.6
257.08310	3.0
263.01776	24.0
267.06503	51.8
268.03842	3.6
268.07144	4.7
269.08090	27.4
271.02081	3.9
271.05957	7.3
277.04935	9.0
279.06607	14.2
281.04440	6.4
281.08023	3.4
283.02365	9.8
283.05682	5.6
285.04211	4.4
285.07581	7.0
295.06027	74.1
296.06793	6.0
297.07523	43.5
298.08325	6.1
305.02737	35.9
307.05984	11.8
308.03006	4.4
313.03421	5.8
313.07016	44.2
313.10611	13.9
315.05066	14.9
323.05469	100.0
324.05765	4.6
325.07059	27.4
327.08685	13.6
329.10110	6.0
331.18674	10.5
331.26288	24.9
339.08624	7.6
341.06500	78.4
341.09497	2.9
345.09714	3.5
351.04944	55.1
355.04147	4.4
355.08170	32.3
357.09735	25.4
369.06058	69.2
373.09320	21.0
379.04749	5.0
383.07639	56.6
387.10855	6.4
397.05423	9.7
401.08603	49.3
411.06958	15.7
415.10382	5.2
419.09348	10.8
429.08075	6.4
433.11447	4.5
493.22662	4.3
493.28708	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0973
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
53.03928	0.5
57.03407	0.8
61.02920	1.4
68.99785	3.0
69.03419	3.4
69.27648	0.2
70.06555	0.3
71.29432	0.6
72.08130	0.3
73.02897	0.4
79.05461	0.3
81.03399	2.1
81.17356	0.2
85.02422	0.5
85.02894	6.2
86.09664	0.8
87.04427	1.0
88.64037	0.3
91.03913	0.6
91.05464	0.4
97.02875	2.8
105.07201	0.3
108.02736	0.3
109.02835	1.0
111.00803	4.9
117.03393	0.3
127.03902	1.8
137.05943	0.8
145.02808	0.7
145.04912	1.1
147.04364	0.5
149.02319	1.6
153.01828	2.0
155.04799	0.3
163.02538	0.4
163.03882	6.8
165.05409	0.5
167.06963	0.3
173.02272	0.6
173.05884	0.3
175.03867	1.9
177.05437	0.7
178.02541	0.4
183.04477	0.3
188.15355	0.3
191.03365	12.0
193.04930	2.8
199.03886	0.4
201.05438	0.7
205.01326	0.9
205.04936	0.9
215.03113	0.3
219.02853	56.7
220.03209	1.0
223.02318	0.7
229.04973	1.6
233.04439	1.2
237.03983	0.4
243.02882	0.3
247.02432	0.4
247.05968	0.8
257.04391	1.3
261.03885	1.5
275.05362	1.4
285.03934	1.3
289.03516	0.4
303.04938	2.6
313.03427	0.3
331.04422	100.0
332.04819	2.5
493.09711	20.1
493.25537	1.3
494.10126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03906	2.1
55.01862	2.3
55.05495	4.1
59.92948	2.0
67.05495	5.9
68.99780	4.2
69.03416	4.2
69.91039	10.9
75.04469	1.8
77.96729	1.7
79.01836	3.1
79.05485	18.3
81.07052	6.4
83.04981	9.0
83.08627	1.9
91.05473	19.5
93.07029	10.1
95.04971	4.8
95.08597	2.9
98.25008	1.8
103.05430	15.1
104.06248	4.0
105.03395	2.9
105.07011	26.3
107.04951	6.9
107.08636	3.0
109.06483	2.8
109.10155	2.6
115.05441	2.7
117.07037	3.1
119.04942	7.9
119.08578	3.5
121.06493	7.7
121.10037	1.7
125.02348	5.1
129.06972	2.1
131.04913	18.5
132.05702	7.3
133.06477	33.2
133.10127	1.9
135.04390	3.8
135.08093	4.3
139.03876	4.2
139.07545	2.7
141.06958	2.7
143.04933	2.9
145.02824	3.0
147.04373	11.9
149.05971	6.5
151.07550	8.1
152.06238	2.8
153.01808	13.4
153.06993	2.6
155.08549	4.0
159.04390	6.9
161.02344	2.5
161.05971	37.7
163.03946	2.5
163.07538	7.7
165.01878	3.5
165.06967	11.0
165.09077	6.5
167.03404	3.9
167.07173	2.8
167.08565	8.9
169.04984	2.2
169.06480	3.1
171.04312	2.1
177.01799	5.2
177.05478	5.1
177.06932	4.2
179.07042	4.2
179.08542	3.1
181.01277	23.5
181.06474	6.3
181.08582	4.9
183.08090	5.9
187.03900	5.4
188.04712	4.7
189.01848	5.1
189.05470	12.3
189.06943	2.3
191.03441	3.2
191.06976	14.9
193.01329	5.6
193.06493	9.6
193.08601	13.8
195.07996	15.3
197.05952	4.0
199.07484	2.2
202.99719	3.0
203.03226	2.5
205.01271	2.8
205.04948	2.3
205.06523	12.7
207.02869	5.1
207.08047	5.1
209.00778	10.4
211.07568	13.2
213.05437	4.4
213.09070	3.1
217.01341	4.9
219.06523	12.2
220.05286	2.1
220.07291	4.3
221.00815	2.1
221.04044	2.2
221.05969	25.7
221.08064	6.8
223.02277	8.6
223.07507	15.7
225.05569	3.2
227.07068	3.9
228.04237	3.0
229.05019	3.1
231.02705	3.1
233.05965	10.4
235.02373	9.8
235.07520	9.8
237.05440	3.8
239.06975	22.8
239.09094	1.9
240.07774	2.3
241.05000	2.6
241.08598	6.4
243.02953	1.9
243.06551	3.1
245.00804	3.0
249.00298	13.8
249.05609	19.2
250.06204	4.0
251.07025	24.8
252.04211	2.9
252.07729	2.3
253.04987	6.2
254.05687	2.6
255.02861	6.5
255.06548	3.2
257.04538	5.2
257.07938	2.6
263.01788	15.1
267.06516	54.4
267.09341	3.3
268.07242	4.3
269.04990	2.5
269.08054	19.6
271.02380	5.2
271.06009	6.5
277.04913	9.6
279.06430	17.9
280.07050	2.0
281.04391	6.1
282.05231	3.0
283.02371	16.4
283.05884	5.8
285.04321	2.5
285.07516	7.7
295.02704	2.6
295.05954	75.5
296.06644	5.2
297.07516	40.6
298.08231	2.4
299.05795	2.5
303.04971	2.9
305.03146	13.7
307.05927	12.4
308.03104	6.0
309.03922	3.5
311.05643	2.8
311.09201	5.1
313.07080	31.8
313.10629	5.8
315.05057	6.5
323.05466	100.0
324.06113	7.0
325.07040	27.7
327.08588	11.0
329.09918	2.3
331.19073	2.4
333.03839	3.9
339.08646	6.4
341.06531	61.6
351.04980	82.5
352.05573	2.1
353.06274	3.6
355.08075	35.2
357.09579	13.7
365.06757	2.5
369.06018	54.4
373.09323	10.6
379.04333	12.6
383.07571	50.4
387.06735	4.2
387.11041	3.2
397.05624	11.9
401.08633	30.6
411.07028	16.2
415.10114	6.6
429.08026	6.7
433.11447	2.7
506.21854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01872	0.4
55.05508	2.6
56.66965	0.3
57.03413	0.5
57.07065	0.4
59.60488	0.3
65.03920	0.4
67.05170	0.5
67.05506	6.8
69.03418	0.5
69.07047	1.1
69.53009	1.0
69.53436	1.5
71.04982	1.3
79.05497	3.9
81.03410	0.4
81.07056	7.0
83.04971	1.3
83.08614	1.1
85.02902	0.5
85.06516	0.4
85.47418	0.3
88.77793	0.3
91.05475	2.6
93.07037	4.1
95.04986	1.8
95.08605	4.9
95.24516	0.3
97.02891	0.4
97.06541	0.6
97.10149	1.1
102.99005	0.3
105.07021	2.0
107.04933	3.2
107.08603	1.6
109.02865	0.4
109.06519	1.5
109.09443	0.6
109.10149	6.9
111.08086	0.4
115.05416	0.4
117.07015	1.1
119.08560	4.0
121.06514	2.7
121.10162	1.7
122.07304	2.2
123.04510	0.4
123.08035	0.9
123.11706	6.4
125.09623	0.5
129.07010	0.7
131.04924	0.4
131.08563	1.9
133.06451	0.6
133.10098	0.5
135.08057	0.9
135.11722	0.4
137.05974	0.4
137.09613	13.2
139.07507	0.6
143.08530	0.5
145.06483	0.9
145.10066	0.6
147.08009	0.7
147.11685	0.5
149.09570	1.3
149.13268	0.6
155.08553	0.4
155.10661	0.6
157.10049	0.4
159.08130	0.4
159.11674	0.4
161.09604	0.4
163.11174	0.5
165.09108	100.0
166.09471	1.1
171.11621	0.4
173.11726	0.4
175.07538	0.4
175.11230	0.7
177.09090	0.3
183.10141	0.7
189.11206	0.7
191.14275	0.5
199.13205	0.5
201.11203	1.2
205.12250	1.0
213.12869	0.5
215.14267	0.5
219.13780	1.0
273.14917	0.7
275.16541	0.5
287.05594	1.0
293.24753	0.6
330.42200	0.3
339.25330	0.4
349.21616	0.7
367.22586	1.8
385.23654	3.1
403.24744	0.4
459.27399	5.0
460.28067	0.4
491.30005	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	492.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26548	1.6
52.85241	1.3
53.03940	2.3
55.05504	8.4
57.03413	2.4
57.07050	3.1
57.63290	1.5
58.70538	1.4
59.17395	1.5
59.62333	1.3
59.67581	1.3
59.73863	1.3
60.59962	1.4
62.06083	1.5
67.05172	1.8
67.05500	21.1
67.70601	1.3
68.05814	1.5
69.07051	6.6
70.03595	3.8
70.04025	5.5
71.08622	20.8
76.25047	1.4
79.05478	16.7
81.03401	3.9
81.07050	23.4
83.04971	5.3
83.08594	4.1
83.98245	1.5
91.05462	17.7
93.07033	24.7
95.04950	5.7
95.08596	17.0
97.06496	3.1
97.10162	3.3
98.98413	2.2
99.08086	13.3
105.07010	11.0
107.04957	3.6
107.08574	12.7
109.06474	1.9
109.10126	5.3
111.08081	1.9
117.07000	2.6
119.08583	7.3
121.10146	10.9
123.08013	2.2
129.06987	1.5
131.08522	3.5
133.10104	6.1
135.08026	2.3
135.11679	12.4
145.10063	2.1
147.11693	4.5
149.13211	3.0
151.11147	6.0
153.50114	1.5
157.10146	2.2
159.11661	1.8
161.13234	4.6
163.11133	2.8
165.12758	1.7
179.14305	43.3
181.65627	1.6
235.16797	1.8
259.20639	2.4
277.21588	27.4
320.25714	2.3
333.24481	2.1
351.25244	100.0
358.09879	1.5
372.81250	1.5
417.67148	1.5
431.21494	2.0
492.30176	3.1
512.22076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88962	0.4
53.03946	0.6
55.01861	0.9
55.05508	3.2
57.03426	0.6
57.07068	0.5
67.05169	0.5
67.05501	8.0
69.03405	0.6
69.07072	2.0
71.04980	1.4
71.21259	0.6
71.21592	0.3
79.05488	5.4
81.03410	1.2
81.07056	8.4
83.04961	1.4
83.08607	1.5
85.02905	0.6
85.06535	1.0
91.05473	3.8
93.07036	4.8
95.04975	3.1
95.08601	5.2
97.06508	1.0
97.10169	1.9
98.84390	0.3
105.07025	2.6
107.04945	4.5
107.08590	2.9
109.06513	2.9
109.10156	8.6
111.08045	0.4
115.05456	0.4
117.07005	1.4
117.31814	0.3
119.08577	4.8
121.06501	3.8
121.10125	2.7
122.07301	2.2
123.08058	0.8
123.11707	7.3
125.05931	0.3
125.09612	1.6
129.06990	1.3
131.04900	0.4
131.08568	2.2
133.06459	0.8
133.10144	1.1
135.08069	1.2
135.11659	0.8
137.05962	0.4
137.09613	13.6
139.07509	0.4
141.07094	0.4
143.08566	0.7
145.06487	1.1
145.10146	1.7
147.08014	1.3
147.11673	0.7
149.09618	1.1
151.11192	0.3
153.01775	0.5
153.12854	0.3
155.08574	0.5
155.10583	0.4
157.10103	0.4
159.07988	0.4
159.11659	0.6
161.09575	0.8
163.11198	0.7
164.08405	0.3
165.09105	100.0
166.09386	0.7
167.10614	0.7
169.10147	0.3
171.11649	0.5
173.09570	0.5
173.11795	0.4
173.13219	0.8
175.07530	0.5
175.11168	0.7
179.10670	0.3
183.10211	0.7
185.09639	0.6
185.13318	0.5
187.13275	0.8
189.11226	0.8
191.14342	0.5
193.12154	0.3
199.13228	0.5
201.11218	1.4
205.12251	1.2
213.12843	0.5
219.13799	1.3
227.14529	0.3
233.15292	0.3
236.45410	0.3
237.37054	0.3
238.14612	0.3
249.14748	0.7
262.81757	0.3
273.14868	1.0
275.16388	0.8
287.05551	1.3
287.16422	0.3
293.24527	0.4
339.25479	0.7
349.21558	1.1
367.22610	2.2
385.23679	3.5
403.24557	0.7
417.26291	0.7
427.32095	0.5
441.26587	0.9
459.27362	7.6
491.29999	7.7
492.37839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	10.7
55.05497	29.3
55.54848	10.4
58.02834	12.8
62.53287	10.8
67.05489	44.1
69.06480	10.1
69.07043	11.6
69.59110	10.9
69.81145	9.8
76.25054	9.6
79.05484	47.1
81.03414	30.5
81.07050	91.2
83.08598	27.4
86.66131	9.5
91.04966	10.6
91.05441	55.5
93.07032	35.5
95.04951	21.2
95.08618	31.4
98.21518	19.4
105.07035	38.9
107.04926	14.7
107.08575	23.1
109.10140	30.4
117.06990	17.4
119.08557	34.7
121.06486	14.9
123.11673	14.8
129.06992	15.2
131.08502	10.8
145.59515	11.9
147.11674	22.5
165.09108	32.3
203.10706	12.9
207.14059	11.0
215.74500	11.4
215.99852	10.8
267.15872	13.5
285.95425	10.5
344.10013	12.4
377.16620	12.7
421.32181	11.4
441.18835	14.1
473.22311	15.9
473.28781	47.1
491.22302	100.0
491.28766	14.3
507.65509	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	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16957	3.0
53.03933	4.6
55.01858	12.0
55.05503	84.0
56.96562	6.0
57.03425	6.0
57.07065	3.7
67.05498	45.0
69.03423	14.1
69.07059	29.3
71.04990	4.9
71.59473	4.6
79.05489	58.4
81.03404	18.7
81.07052	59.4
83.04978	12.0
83.08609	50.8
85.02898	8.9
85.06540	8.2
89.65591	2.7
91.05478	27.3
93.07038	43.2
95.04974	22.3
95.08597	26.1
97.02888	5.9
97.06457	3.2
97.10158	100.0
98.97576	6.9
105.07030	19.1
105.71791	2.9
107.04958	36.0
107.08590	45.0
109.02873	8.8
109.06496	25.3
109.10135	17.1
111.08078	8.6
116.98589	9.4
117.07011	15.7
119.04901	5.8
119.08581	13.2
121.02839	3.5
121.06488	28.3
121.10130	12.5
123.08070	4.7
123.11711	7.9
123.41139	2.8
125.09617	77.2
129.06993	5.9
131.04871	3.5
131.08559	19.9
133.06471	6.0
133.10152	16.0
134.99625	3.1
135.07184	2.9
135.08018	17.7
135.11665	8.5
137.05960	3.8
137.09598	4.1
141.07039	3.4
143.08525	8.5
143.10738	5.0
144.06189	4.4
145.06465	6.5
145.10118	12.4
147.04420	4.2
147.11644	6.8
149.02335	11.4
149.09610	4.7
153.09082	7.2
157.10083	6.9
159.07991	4.6
159.11703	6.5
161.05949	3.4
161.09576	6.3
163.11160	5.1
165.09122	12.1
171.10234	4.4
173.13249	10.1
175.11162	6.0
177.00656	7.3
182.11418	19.8
189.09187	6.3
189.11211	57.1
189.12881	4.5
191.11949	18.9
191.14246	14.6
193.04971	9.2
193.12222	7.3
201.12738	5.3
213.45229	3.8
213.47415	4.0
215.14229	3.1
219.13776	73.6
227.12756	27.4
237.02727	3.1
237.07529	7.8
263.14276	30.3
263.64255	3.6
272.14554	52.0
272.64688	8.7
273.14886	3.8
287.05426	7.3
339.23032	3.0
349.21445	4.0
353.21268	6.7
367.22726	7.0
371.21890	14.2
381.20557	4.8
385.23782	6.7
389.23102	13.8
399.21545	9.2
417.22302	5.3
445.25833	26.1
459.27313	16.4
463.26999	14.2
469.72546	2.9
473.14401	3.8
473.25275	12.3
491.25754	80.3
492.27075	3.8
493.17688	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	490.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23803	1.2
55.01860	3.0
55.05518	7.3
57.03433	7.8
57.07053	1.6
67.05497	12.8
69.07063	10.8
69.07384	1.8
70.75748	1.6
70.76100	3.6
71.04989	2.2
74.71270	1.4
79.05491	13.2
81.03399	2.4
81.07051	20.0
83.04959	3.4
83.08620	3.6
85.06516	1.6
91.05476	12.0
93.07047	18.4
95.04969	4.5
95.08606	14.3
97.06509	3.6
97.10175	1.8
98.98457	2.3
101.76908	1.3
105.07033	19.4
107.04945	3.9
107.08579	12.5
109.06536	7.4
109.10146	5.0
111.08093	2.5
111.08901	1.6
113.70207	1.4
117.07022	5.4
119.08585	11.2
121.06515	7.7
121.10088	7.1
123.08047	4.0
123.11674	2.1
125.09626	1.6
129.07025	2.2
131.08556	10.0
133.06500	2.4
133.10123	10.4
135.08031	3.0
135.11664	3.0
137.06039	1.6
137.09616	2.0
143.08542	2.7
145.10091	10.9
147.08052	3.1
147.11697	7.4
149.02344	2.1
149.09602	6.0
149.13280	1.9
151.11162	4.2
157.10042	2.1
159.08018	1.9
159.11685	4.5
161.09468	1.6
161.13185	3.1
163.11169	4.9
169.10126	1.8
173.09605	2.7
173.13225	3.3
175.11198	2.5
191.14252	2.1
193.05032	2.5
201.12703	1.7
207.13860	2.2
213.16443	1.9
219.13800	3.4
229.04518	1.5
237.07628	1.6
239.18095	1.6
247.20525	2.3
257.18979	7.8
275.20059	57.5
287.05511	2.8
293.21039	9.7
316.13635	1.6
318.23831	1.7
349.23709	100.0
350.23938	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1177
Annotation	Kaempferol 3-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
68.99780	0.4
70.06566	0.2
70.19278	0.2
70.74634	0.5
81.03374	0.2
89.07131	0.9
91.42271	0.2
98.07146	0.1
109.02864	0.2
121.02858	0.6
123.04406	0.2
129.06984	0.2
137.02345	2.2
141.06992	0.2
143.04945	0.2
147.04236	0.2
149.02267	0.4
157.06508	0.4
161.05940	0.4
165.01816	0.2
171.04291	0.3
175.03888	0.4
175.07478	0.3
177.05460	0.2
185.06013	0.8
189.05421	0.5
193.04951	0.2
199.03914	0.2
213.05458	2.1
223.97856	0.2
231.06468	0.8
234.19853	0.2
241.04875	1.0
269.04422	0.4
287.05460	100.0
288.05777	2.4
323.05426	0.2
485.18137	0.2
491.11829	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	491.1182
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03941	0.8
55.01865	0.4
55.05488	0.3
56.05021	0.3
57.03418	0.8
61.01134	0.3
61.02926	1.4
67.05473	0.2
68.99780	0.6
69.03423	4.4
70.06573	0.2
71.01340	0.3
71.04977	0.6
71.59560	0.2
72.08142	1.7
73.02911	2.6
73.96600	0.2
79.05482	0.3
81.03415	3.6
81.07034	0.2
85.02898	7.0
85.03420	0.3
86.09711	0.4
91.05453	0.3
93.07033	0.2
95.04945	0.4
95.08659	0.2
97.02888	2.7
99.04433	1.3
101.21783	0.2
103.03941	0.3
103.85999	0.1
104.05308	0.6
105.03359	0.4
105.49799	0.1
107.04926	0.3
107.08578	0.2
109.02874	2.6
111.00788	0.7
111.04442	0.2
115.03899	0.5
119.04910	0.3
119.08569	0.2
121.02853	3.2
121.10144	0.2
127.02943	0.3
127.03902	5.2
128.90237	0.2
133.02835	0.7
133.04964	0.9
135.04463	0.2
137.02321	1.1
137.05914	0.4
145.02870	0.4
145.04929	2.2
145.06071	0.3
145.06474	0.2
146.11729	0.2
147.04414	0.8
149.05959	0.2
153.01814	4.8
154.02202	0.2
157.06505	0.4
161.05989	0.2
165.01820	2.0
165.09103	0.5
167.07074	0.3
171.04378	0.2
174.05757	0.2
175.03909	0.3
177.05409	0.6
183.02916	0.9
185.05972	0.5
187.05995	3.5
189.05492	0.3
205.07097	1.1
213.05461	1.5
217.04897	0.2
218.84659	0.2
231.06488	0.6
239.09537	0.3
241.05031	1.0
247.07437	0.7
258.05215	1.3
259.05969	0.7
286.04742	0.2
287.05466	100.0
288.05756	2.6
299.05508	0.2
325.06827	0.2
346.14453	0.2
353.06342	0.2
395.07330	0.4
491.21890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32785	2.1
53.03928	3.4
55.05506	17.9
57.03417	5.0
57.07063	4.1
57.11435	1.9
59.04986	4.0
65.03953	3.4
67.05499	66.7
69.07063	16.2
71.04967	3.3
77.52901	2.5
79.05483	29.9
81.07043	38.0
83.08211	1.7
83.08617	14.1
87.60539	1.9
91.05475	30.0
93.06465	2.6
93.07030	36.2
95.04958	4.8
95.08592	28.6
97.06507	4.3
97.10143	4.3
105.04510	2.0
105.07007	25.0
107.08585	19.9
109.10143	41.9
111.08060	3.3
117.07043	11.2
119.08559	25.3
121.10135	18.4
123.11671	3.8
129.07002	5.4
131.08536	20.6
133.10117	25.7
135.08023	2.7
135.11667	10.7
143.08533	5.7
145.10109	17.6
147.11652	14.5
149.13242	5.9
155.08508	5.0
157.10106	9.0
159.11688	14.6
161.13213	5.3
163.14755	2.4
169.10132	3.7
171.11713	9.2
173.11697	8.8
173.13252	12.5
175.14664	2.8
183.11688	5.5
185.13252	8.4
187.14726	4.6
199.14833	4.7
201.16449	4.2
212.96103	2.3
213.14851	4.9
225.16486	2.3
241.19514	2.7
243.20949	2.4
245.18996	3.7
259.20584	4.1
285.22195	4.3
317.24719	2.2
330.01923	2.1
372.19061	2.3
377.26776	4.7
379.29855	15.2
397.30930	18.7
415.32013	6.5
433.32965	2.8
471.34732	14.7
489.36108	100.0
490.36505	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	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.65269	1.1
53.03952	3.0
55.01862	2.0
55.05508	16.9
56.36145	1.2
57.03434	3.9
57.07059	2.3
59.05016	2.1
63.79991	1.2
65.03944	3.3
67.05502	69.0
69.07055	11.6
71.04989	3.1
79.05483	30.1
81.07051	33.7
81.07518	2.2
83.04977	2.0
83.08609	6.9
85.06545	2.9
91.05476	22.1
93.07037	32.4
93.84416	1.2
95.04978	4.0
95.08602	24.5
97.06545	3.7
97.10174	4.1
98.21487	3.5
99.08095	1.8
105.07026	22.1
105.07671	1.9
107.08585	19.5
109.10144	42.4
111.08073	3.0
117.07001	8.6
119.07761	2.5
119.08572	24.0
121.10148	12.3
123.08096	1.6
123.11678	1.9
125.09597	1.6
129.07004	3.8
131.08565	15.6
133.10133	15.1
135.11679	10.4
137.09660	2.3
139.11221	1.5
139.19226	1.3
141.06963	1.8
143.08569	5.3
145.10112	12.1
147.11693	11.2
149.13275	6.6
155.08598	1.3
155.10786	2.1
157.10150	4.0
159.11707	11.9
161.13237	7.7
163.14870	1.9
169.10164	2.2
171.11655	6.0
173.11742	10.8
173.13280	7.1
175.14885	3.0
183.11690	2.6
185.13271	5.3
187.14848	3.3
197.13304	3.3
199.14912	4.2
201.16376	1.6
213.14809	1.6
225.16429	1.5
243.21381	1.5
245.19138	1.2
253.19571	1.3
259.20551	2.2
260.78638	1.5
261.22174	4.3
271.20914	1.7
273.22217	1.5
285.22153	1.3
299.23618	1.7
303.61642	1.4
317.24921	1.6
339.66202	1.4
379.29962	8.0
387.37039	1.6
397.31003	12.6
415.31973	1.8
433.33286	1.4
471.34729	12.5
489.35809	100.0
490.36209	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	488.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49858	4.6
55.05493	22.0
56.96542	12.7
57.07069	5.2
59.04979	10.0
67.05500	47.8
69.03423	31.2
69.07056	27.0
71.04976	14.4
71.59306	4.9
71.59795	8.4
79.05463	22.5
81.03416	6.4
81.07047	80.2
83.04957	24.1
83.08601	10.5
84.08138	6.2
85.02868	7.6
85.06529	6.8
88.03978	17.3
91.05453	21.0
93.07026	60.4
95.04957	22.7
95.07651	5.9
95.08591	100.0
97.02871	8.9
97.06497	13.8
97.10160	7.8
99.04443	9.5
105.07019	36.8
107.08573	57.3
109.06503	18.7
109.10140	82.8
111.08064	9.5
116.03466	6.1
116.98616	8.3
117.06979	6.0
119.04876	8.2
119.08575	47.4
121.06485	13.2
121.10115	49.5
123.08044	23.7
123.11671	28.2
125.09622	10.9
131.08543	18.5
133.10100	32.0
134.04488	33.9
135.08011	21.4
135.11652	21.0
137.05931	7.5
137.09601	18.9
139.11107	12.2
140.02119	5.0
145.02806	6.9
145.10103	17.2
147.11679	20.3
149.01247	6.4
149.09584	12.7
151.11151	9.2
152.62242	5.4
153.09071	7.0
157.10056	15.2
159.08057	6.3
159.11655	35.1
161.13249	15.4
163.11134	12.3
163.14818	6.4
165.09061	6.0
169.10123	5.4
173.13231	14.5
175.14763	10.9
177.12769	9.3
177.16350	16.2
187.14784	9.7
191.14311	15.8
194.67227	5.7
201.16382	11.9
203.14362	5.9
203.17963	9.3
205.15782	7.2
213.16307	11.1
215.17941	15.6
217.15947	5.9
219.17374	6.4
229.15834	16.9
231.17308	12.8
247.16869	37.0
249.46544	6.0
251.20105	6.1
273.22226	8.0
279.19623	6.5
291.23032	12.4
301.21588	25.7
309.24249	11.6
319.22589	76.9
320.38339	5.4
337.23676	26.4
343.59747	5.6
425.48514	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45449	3.9
52.22371	4.1
55.05497	15.2
57.03418	20.9
57.07066	4.7
67.05493	70.3
69.07058	20.1
69.64066	22.1
69.64489	7.5
74.72438	3.6
79.05483	43.9
81.07046	66.6
81.07507	5.1
82.64700	3.6
83.08614	9.1
91.05457	30.0
93.07028	63.6
93.77589	3.5
95.08592	55.8
97.10160	4.4
98.98457	63.9
105.06996	21.8
107.08600	35.9
109.10130	38.6
111.08068	5.0
117.06979	8.7
119.08560	23.1
121.10104	31.7
123.11686	10.4
131.08562	12.2
133.10081	19.1
135.11655	21.4
137.13202	4.4
145.10081	21.5
147.11676	13.0
149.13269	13.6
155.01022	67.8
159.11667	11.8
161.13220	7.9
163.14845	8.5
173.11845	4.6
173.13260	13.2
175.14777	4.9
187.14847	6.5
211.03629	4.6
229.04724	5.1
243.21019	22.7
261.22089	46.6
317.24649	20.3
335.25735	100.0
471.24924	18.1
489.35977	26.0
504.49344	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	489.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
59.70551	0.4
60.18872	0.4
67.05487	1.8
69.79688	0.4
71.59667	0.9
79.05484	0.9
81.07064	1.0
83.08616	0.5
91.05467	0.8
93.07027	1.2
95.08619	0.8
105.07042	0.6
107.08588	1.1
109.10153	1.0
111.00919	0.4
119.08564	1.4
121.10157	0.4
122.90485	0.5
145.10023	0.4
232.41719	0.4
259.69141	0.4
307.62387	0.4
347.17493	0.4
415.16690	0.5
471.16049	0.6
489.33994	100.0
490.34579	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	486.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	38.8
71.41905	2.6
71.95249	3.1
90.66887	1.5
98.97571	1.7
100.96957	1.6
110.97570	1.5
125.48892	1.5
128.98578	4.9
134.99612	2.9
137.02812	1.7
146.99640	4.8
153.02284	1.3
157.01605	1.5
161.01250	2.4
165.00679	1.9
169.01755	3.9
169.05299	1.4
171.03241	4.4
175.02795	2.1
181.03824	1.5
183.03285	3.2
184.25438	1.5
185.04880	4.7
187.02765	3.4
187.98039	1.7
188.98869	2.5
189.04309	2.8
197.04784	2.4
199.06364	5.4
199.98065	3.0
200.08099	1.3
201.04382	2.4
203.00371	2.3
203.05878	9.2
205.05359	1.7
207.06940	2.2
211.06372	4.8
213.07994	3.0
215.05696	1.8
217.05441	2.3
217.07368	9.1
217.99197	1.5
221.06807	2.1
223.06380	5.7
223.08327	2.2
225.04343	1.7
225.08015	3.4
229.07460	3.4
231.06923	1.7
231.09041	4.1
235.06435	1.7
235.10086	1.9
237.07956	11.0
239.09538	22.0
241.07466	5.9
241.11084	8.2
243.09074	3.2
245.10555	2.1
249.08051	2.7
251.09514	2.7
253.11261	2.0
255.09010	10.7
257.10556	18.3
259.12152	12.4
261.08011	4.5
262.11270	1.8
264.12735	1.8
267.08972	5.6
279.08994	18.2
281.10559	7.4
283.50278	1.6
285.10086	2.1
289.07925	1.7
295.06665	16.7
297.10101	13.5
299.11484	4.7
307.15622	2.2
312.06989	2.1
313.04062	3.2
313.07748	67.6
314.08383	3.1
329.14072	1.7
330.08002	1.6
331.08841	35.4
331.15372	7.5
336.09317	6.6
339.09216	1.5
347.15204	2.4
349.16821	20.6
354.10428	2.0
363.12961	20.1
365.14453	19.6
372.18402	1.8
381.14047	100.0
383.15561	45.6
399.15094	13.2
401.16382	2.2
404.15524	16.0
406.17270	7.6
445.10495	5.2
463.11230	27.5
481.12219	7.3
486.12970	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88772	2.4
55.05510	5.2
57.03429	6.1
57.07078	18.6
59.85130	2.5
64.32109	2.4
67.05502	8.7
68.85536	2.7
69.07058	4.3
70.22183	2.7
71.08624	15.7
71.68040	2.4
81.07049	10.6
83.08600	4.6
85.10180	9.6
89.06087	2.8
95.08598	11.9
98.20741	3.8
98.98466	10.3
105.07034	2.9
109.10145	4.4
133.10124	9.4
145.47350	2.5
150.33253	2.3
155.01047	3.2
195.06844	2.7
239.23988	2.8
254.87230	2.8
313.27350	100.0
321.23236	2.9
432.78442	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	485.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49876	0.2
55.26532	0.2
56.96556	0.2
61.73759	0.2
67.05486	0.3
69.03410	0.3
70.78307	0.3
70.78638	0.5
81.07031	0.4
91.05460	0.3
93.07050	0.4
95.04973	0.3
95.08560	0.3
105.07046	0.3
109.10138	0.3
112.38351	0.2
117.07217	0.3
119.08568	0.4
119.35446	0.2
121.10101	0.3
173.71005	0.3
182.49049	0.2
248.16792	0.2
323.16138	2.3
323.25333	0.4
324.16479	0.3
339.23743	0.3
363.14615	0.3
485.30774	100.0
486.21851	0.3
486.23767	0.3
486.31067	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	485.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29071	0.3
65.54186	0.3
67.05481	0.5
69.03481	0.4
69.07062	0.4
69.35592	0.9
69.35997	2.1
70.06586	0.4
76.51883	0.3
79.05462	0.4
81.07045	0.8
85.02877	0.3
91.05490	0.5
93.07037	0.7
95.08591	0.8
105.07013	0.6
107.08580	0.7
109.10155	0.3
123.08030	0.4
133.10132	0.4
135.08060	0.5
145.10161	0.5
203.05254	10.4
213.77873	0.4
243.03578	1.1
286.14316	0.5
305.24484	5.3
347.06052	0.6
355.02902	0.5
417.06738	1.1
443.08240	1.1
485.30841	100.0
486.31161	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	486.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90514	2.3
56.96294	2.5
56.96561	40.8
59.88520	1.8
71.95247	4.8
72.08539	1.8
79.05460	2.1
83.05013	1.8
98.20712	4.4
98.84473	1.9
116.98613	2.5
128.98650	3.5
137.11777	2.0
146.99631	4.5
169.01698	3.5
171.03270	2.9
185.04863	2.2
187.02882	2.4
188.98973	3.7
189.04321	3.2
197.04866	3.1
200.98863	2.0
201.99702	2.3
203.05922	8.0
205.07381	2.3
211.06432	3.3
213.07971	4.7
217.05487	2.2
217.07407	9.0
221.04550	2.0
223.06372	6.0
223.08368	3.2
225.07970	5.6
227.09500	2.4
229.07468	3.8
231.09041	3.8
235.06442	2.1
237.04404	2.4
237.07852	9.4
239.09537	20.6
241.07358	4.8
241.11166	5.8
243.09021	2.4
245.10658	3.2
255.08966	13.5
257.10580	22.7
259.12177	13.2
261.08002	3.9
267.09036	4.7
279.09085	21.3
281.10541	5.1
285.10150	4.1
295.06732	19.5
297.10092	15.3
299.11435	3.7
307.15817	2.4
313.04129	3.1
313.07791	62.4
314.08481	3.0
330.07910	3.2
331.08865	40.4
331.15738	8.5
336.09378	7.0
347.15442	4.4
349.16864	23.2
363.12906	15.8
365.14478	16.1
372.18170	2.8
381.14072	100.0
383.15546	47.4
399.15067	11.9
404.15659	18.9
406.17224	11.1
445.10391	6.9
463.11356	24.4
481.12442	6.8
486.12961	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	485.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96531	0.8
57.03409	0.9
58.08342	0.5
60.08146	1.3
65.03925	1.5
67.05485	1.3
69.03411	1.1
69.98914	3.3
70.06578	1.1
71.04957	0.7
71.07353	0.7
72.04495	1.1
73.02921	1.1
81.07032	1.4
84.08096	0.6
85.02876	1.5
86.09685	5.1
87.10036	2.0
88.02212	0.8
89.03891	1.8
91.05470	20.8
95.04922	0.8
95.08601	1.1
97.02834	0.9
99.08068	1.8
100.71009	0.9
102.03751	1.1
104.10713	1.7
105.11030	0.9
107.08601	0.8
117.03355	1.9
119.04933	32.3
122.05977	0.9
124.99996	4.2
132.02042	1.4
132.04765	1.7
133.10135	0.8
135.04407	0.9
145.02853	4.6
147.04390	31.2
149.07434	6.3
153.01822	1.3
157.03943	2.6
162.03116	0.8
164.04736	0.8
173.15390	0.9
175.03883	51.8
176.04166	0.7
177.05476	5.2
179.06929	2.9
184.07318	17.7
185.07690	4.9
190.36398	0.6
193.43976	0.6
207.06496	100.0
208.06895	0.8
234.11186	0.8
250.33716	0.7
261.12625	10.5
278.10236	4.9
303.04739	1.0
355.13144	5.7
395.13129	0.7
467.18356	8.5
485.27158	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	485.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	19.2
55.02108	1.5
56.96535	0.7
68.99734	2.6
69.44669	5.4
69.44939	0.5
71.01290	0.5
79.01780	0.6
83.01331	19.3
84.08075	0.8
85.02856	1.1
95.01288	0.6
97.02797	0.8
98.97524	0.9
101.02310	1.0
101.69014	0.6
107.08495	0.6
111.00796	6.0
116.98619	0.7
117.03344	0.8
123.00716	1.2
123.08025	0.7
129.13795	0.6
133.10045	1.2
137.09621	0.7
138.99213	1.1
139.00241	17.4
140.00931	1.0
145.02762	1.9
146.99576	1.0
149.01245	0.6
153.01807	8.8
153.12677	0.6
157.01305	7.4
162.02951	0.7
169.01274	1.2
172.23741	0.7
177.05377	2.4
183.04272	0.6
184.99203	1.0
185.00804	16.2
185.04306	1.6
186.01547	4.7
187.03813	0.9
189.01782	2.0
190.02518	2.6
201.01872	0.9
207.06485	1.1
211.03734	0.8
213.01682	0.7
217.01204	1.8
218.02121	1.3
219.01738	1.0
228.00539	0.8
229.01262	1.1
230.02045	1.5
231.02792	1.1
237.02771	3.0
237.07913	1.1
239.03284	1.3
241.01208	2.9
243.02769	0.7
245.00844	1.1
246.01534	5.0
249.01762	0.8
251.03418	1.3
255.08894	1.7
257.00732	3.9
257.04407	0.7
259.02271	2.6
267.02850	4.0
269.00687	1.6
273.00275	4.6
275.01923	0.7
279.02817	0.7
283.02206	0.7
283.99518	0.7
285.00159	1.7
285.03677	0.8
286.01022	4.7
287.01813	20.8
288.02084	0.7
295.02380	4.2
297.03751	0.6
300.99774	5.5
302.00531	22.5
303.01300	6.5
305.00726	9.0
307.02283	2.1
311.01715	1.1
312.99719	5.4
313.03326	2.7
323.01828	10.3
328.99155	2.9
331.00714	1.6
333.00296	1.5
339.01300	1.1
341.02808	1.8
351.01419	3.7
355.00925	0.8
361.00043	0.9
363.01526	3.5
369.02423	2.1
379.00769	12.9
381.02362	1.0
391.00720	1.4
397.01840	3.0
407.00290	28.2
408.00836	1.3
409.01700	0.8
425.01190	1.0
425.14746	3.3
434.99762	12.0
436.00552	1.1
443.15894	2.8
453.00833	78.6
454.01175	3.8
471.01852	2.3
485.03467	100.0
486.03827	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	484.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
57.07069	27.6
58.47319	0.7
59.52789	0.6
65.57892	0.7
69.07059	1.5
70.11517	1.2
70.11915	1.5
71.08624	24.6
72.10161	0.6
73.06547	6.4
83.08600	3.7
85.10172	25.7
87.04464	2.9
89.06021	100.0
90.06372	0.8
97.10190	1.1
99.11739	2.3
107.07036	5.1
113.48727	0.7
117.09117	4.0
130.08633	3.1
133.08591	42.8
135.10126	1.0
141.16348	4.0
151.09610	1.0
177.11211	16.0
177.12683	1.4
185.18980	7.3
195.12332	1.1
221.13803	3.2
226.21710	1.7
229.21568	9.7
239.14911	2.4
259.14075	0.7
273.24130	5.5
283.17548	2.0
312.26175	3.2
327.20026	7.0
379.30768	1.4
423.32935	0.8
467.35760	12.0
484.46841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71812	5.1
56.52671	4.9
59.48658	5.3
127.83809	5.0
132.67783	5.7
164.39537	4.8
171.22192	5.8
177.00963	9.6
178.22574	4.9
219.01987	15.1
234.99936	11.6
236.99846	6.6
253.01352	6.2
259.00024	22.5
260.99933	20.4
261.03070	35.8
276.97922	11.6
277.01074	35.0
278.01160	18.0
279.00861	36.7
280.00995	5.1
282.99936	38.1
284.00107	18.2
284.99911	42.7
286.00021	8.0
301.01001	98.0
302.01263	41.4
303.00858	100.0
304.01041	14.7
316.98822	10.2
318.98642	18.6
319.02020	10.6
321.01636	7.0
344.55331	5.9
361.00000	11.0
361.99451	6.3
401.01315	10.9
402.01453	7.8
403.00604	33.5
404.01303	8.6
418.96848	9.0
425.01321	8.0
427.01199	18.3
443.02301	55.1
444.02313	15.1
445.02045	98.9
446.01923	9.9
460.99634	18.6
485.01672	63.5
503.02600	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	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.7
57.03431	6.2
57.07070	7.7
66.32034	2.4
67.05492	8.5
69.07060	24.4
71.08617	5.4
79.05460	3.2
81.07037	8.4
83.08620	23.0
93.07029	4.1
95.08590	4.7
96.39420	2.7
97.10160	10.9
98.98461	13.2
106.54152	2.7
107.08588	3.5
111.11702	3.5
119.50662	3.0
121.10097	3.4
132.73610	2.5
155.01015	9.3
254.39522	2.7
289.37799	3.0
311.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63744	0.4
53.75319	0.3
55.05495	0.5
55.99482	0.3
68.67632	0.3
69.14023	0.3
69.48273	3.1
73.18695	0.4
81.07025	1.0
86.09669	0.4
91.05453	0.3
95.08601	0.5
105.06954	0.4
109.10165	0.5
133.10104	0.5
138.30635	0.4
161.10713	0.4
203.05159	0.6
214.32278	0.4
247.08577	0.6
303.22968	1.5
321.24011	1.7
363.24957	0.4
483.29233	100.0
484.29410	2.6
495.90594	0.7
502.27740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06207	0.2
59.83695	0.2
70.00956	1.3
81.07012	0.3
89.54654	0.2
93.07046	0.3
95.08589	0.3
123.45914	0.2
133.10132	0.3
203.05235	3.5
222.79367	0.2
303.22900	15.2
304.23361	0.5
305.21475	0.3
321.24069	0.8
483.29236	100.0
484.29538	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	483.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02377	0.7
55.01870	0.3
55.05499	0.4
59.89546	0.2
62.02003	0.2
62.50147	0.2
65.03912	0.2
67.05508	0.2
67.27064	0.2
67.38192	0.2
69.03413	0.3
69.07052	0.4
69.99780	0.2
71.60106	0.4
72.34994	0.2
79.01850	4.8
79.05475	0.6
81.03400	0.3
81.07050	0.6
85.02892	0.3
91.05476	1.4
93.07052	0.6
94.04156	0.2
95.04948	0.6
95.08611	0.4
97.02884	1.4
103.05470	0.3
105.07037	0.5
107.01303	1.0
107.04939	0.8
107.08556	0.4
109.02894	0.3
109.06490	0.4
109.10143	0.2
115.05472	0.2
117.06977	0.3
119.04925	0.8
119.08546	0.6
121.06466	0.3
121.10146	0.3
122.03634	0.6
123.00715	0.2
125.02335	3.5
127.03909	0.2
128.06213	0.4
129.06990	1.5
131.04916	0.2
133.06512	0.3
133.10135	0.3
135.08141	0.3
135.11707	0.2
136.05243	0.2
137.05962	5.8
143.03387	8.0
146.03625	0.4
146.97388	0.3
147.04396	0.2
149.06068	0.3
151.03851	0.5
151.07530	3.5
153.01814	100.0
154.02145	0.6
157.06482	0.9
161.05898	0.5
161.09563	0.3
163.07527	0.4
165.07001	1.0
174.06781	0.4
178.07770	0.7
179.08545	0.3
181.06477	0.4
182.07278	0.3
187.07532	0.2
189.09088	2.3
193.06448	0.9
193.10135	1.0
197.05876	0.3
202.07982	0.2
206.07361	0.4
209.05917	0.4
209.09604	0.2
210.06746	1.0
221.05989	1.4
221.09549	1.2
223.07547	0.2
224.08311	0.5
225.09119	0.9
227.07060	0.3
228.97859	0.2
237.05363	0.3
238.06125	0.4
249.09065	0.5
253.08595	0.8
253.12198	1.8
267.10153	1.0
273.12369	0.7
281.11737	0.8
285.11237	1.8
301.07050	0.8
313.14307	1.6
331.15244	0.5
341.10077	0.6
359.11044	0.7
447.24557	0.2
483.16736	0.3
483.25491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26471	0.6
55.01864	0.9
58.82761	0.6
61.01137	2.1
69.03421	1.5
69.07038	0.6
69.60911	4.4
70.06573	2.0
72.04507	9.6
72.08147	0.9
73.02905	0.7
78.03784	6.1
79.05457	0.6
81.03403	1.8
83.34771	0.6
85.02912	3.3
85.06553	1.2
86.09682	0.9
88.02213	2.1
95.04929	0.8
97.02924	1.1
98.21509	0.7
99.05569	3.1
100.27909	0.7
102.03746	5.3
103.01508	1.3
103.02161	19.4
109.02874	1.0
113.06013	1.0
114.03762	4.4
114.05526	28.7
120.04790	18.9
120.08083	0.7
122.06036	1.3
124.07590	1.8
131.06319	3.4
132.04784	7.4
136.07547	1.2
137.05904	0.7
142.08624	3.9
145.02821	0.8
147.04375	1.0
149.07436	13.9
153.01814	1.7
159.05878	6.3
162.05841	1.3
173.07544	0.8
174.05827	4.6
175.05333	0.9
177.05589	0.7
179.12048	0.7
184.09654	1.2
191.08478	100.0
192.08864	1.2
200.04297	0.7
201.06958	1.5
261.12589	0.8
277.03290	1.8
303.13696	33.0
321.14636	1.1
432.72641	0.7
483.06418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.07069	45.4
67.98000	1.3
69.07043	2.2
69.40999	13.9
71.08626	25.8
73.06539	6.6
81.07061	1.7
83.08613	2.5
85.10163	21.7
87.04421	3.8
89.06020	100.0
95.08546	2.3
97.10120	3.8
99.11700	2.7
107.07050	4.8
113.13258	2.0
117.09100	4.5
130.08618	2.5
133.08588	38.4
138.69385	1.8
155.17920	3.2
177.11169	9.3
199.20551	1.5
243.23259	1.8
287.25415	1.6
327.19824	1.7
426.29547	1.9
428.56149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27585	2.8
55.05501	12.8
57.03423	5.1
57.08759	2.5
61.02908	6.8
67.05479	14.8
68.60643	2.8
69.03409	4.2
69.07053	6.8
71.04985	8.1
71.59439	4.4
73.02892	2.4
79.05479	14.0
81.02971	3.9
81.03411	46.2
81.07050	14.9
81.60667	2.3
83.04969	13.5
83.08607	17.6
85.02898	31.2
86.03249	3.1
86.59781	2.0
91.05454	14.1
93.07050	11.9
95.04952	20.8
95.08572	4.5
97.02886	10.6
97.10152	2.8
98.75076	2.2
105.07039	11.3
107.04952	6.9
107.08604	6.5
109.06532	3.1
111.08064	9.8
111.55674	2.3
119.08572	11.9
121.10120	6.2
123.08016	3.5
129.06958	6.5
131.08557	9.2
132.04463	2.4
133.06488	2.3
133.10112	5.1
135.46448	2.2
137.05949	3.9
137.09644	5.1
138.00102	2.1
143.39478	2.5
147.11668	11.6
149.09547	5.9
153.00706	2.3
153.01862	6.9
153.12756	2.8
157.10120	10.8
166.58818	2.3
168.47316	2.4
175.11191	15.3
193.12221	46.1
198.54938	2.1
210.86334	2.3
211.13255	46.9
267.15829	17.0
285.16931	100.0
414.14719	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	482.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	66.5
58.57129	1.4
67.05489	1.8
69.07059	10.4
70.22342	3.5
70.22749	2.5
71.08625	60.4
73.06543	4.4
73.85737	1.3
83.08615	4.2
85.10173	37.3
86.10539	1.4
87.04461	1.9
89.06022	100.0
91.07561	1.7
91.61402	1.3
97.10154	2.7
99.11720	7.9
107.07051	5.1
111.11687	4.0
113.13310	7.6
117.09129	2.9
125.13206	1.8
127.14838	3.2
130.08650	3.4
133.08591	62.6
177.11191	26.6
195.12259	5.4
215.45094	1.5
221.13820	2.2
239.15041	3.2
271.26321	2.7
283.17502	33.2
283.20340	2.8
315.28815	3.1
421.34888	2.3
465.31781	2.4
465.37915	27.1
482.38898	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
54.91218	4.4
55.01862	16.3
55.05500	40.3
55.10518	4.1
56.96554	8.5
57.03422	6.2
57.07066	20.0
57.88603	5.3
66.92850	4.7
67.05490	43.2
69.03421	21.4
69.07058	49.5
69.51179	40.1
71.04984	11.1
72.04510	6.1
72.08154	6.6
73.02909	5.3
79.05478	28.0
81.03410	25.7
81.07050	100.0
83.04984	7.6
83.08617	28.9
84.04494	17.9
85.02901	34.5
85.06547	44.5
91.05478	25.8
93.07029	40.2
95.04942	18.0
95.08595	87.9
97.02903	13.8
97.06530	8.6
97.10160	17.4
99.08080	9.7
100.01442	4.5
100.07601	7.1
100.11239	63.2
105.07031	30.1
107.04929	6.1
107.08572	41.2
109.02866	14.2
109.06541	9.5
109.09431	9.3
109.10136	69.0
111.04438	10.0
111.08067	13.3
111.11718	13.3
113.09634	7.6
119.08572	21.7
121.06487	8.1
121.10137	26.8
123.11681	47.4
125.09638	5.7
127.03905	11.6
127.11192	9.4
128.07080	7.8
129.06975	5.3
131.08554	19.8
133.10135	7.4
134.99727	6.1
135.08049	10.4
135.11685	17.1
137.05983	19.4
137.09612	9.9
137.13245	22.2
139.11186	8.3
140.07066	8.0
142.12326	7.9
145.10046	5.3
147.11697	7.7
149.09605	18.8
149.13306	19.8
151.11203	5.8
151.14799	13.7
153.01801	28.2
154.12233	37.0
156.13799	31.0
157.10149	5.5
159.11694	11.3
163.03983	6.3
163.14789	17.1
165.16431	10.3
167.07094	5.6
175.14769	4.5
177.00847	5.6
177.05467	9.3
177.16380	7.8
182.11736	13.6
182.15416	18.0
184.13261	17.1
184.16965	11.9
191.17952	10.9
193.21588	5.4
209.16460	8.8
210.14896	22.8
217.39882	5.7
241.44440	5.0
242.95970	5.3
244.09657	22.2
247.24194	34.3
265.25327	25.0
280.14246	8.2
281.18646	15.9
281.21973	5.2
283.26270	42.3
298.24905	6.2
300.26486	8.9
301.21634	17.8
301.27356	12.1
311.23294	11.1
319.04559	7.4
337.01755	7.7
337.21246	6.5
408.28592	10.5
410.29889	7.1
432.70367	5.6
463.36340	17.3
481.05865	13.7
481.23599	30.4
481.37500	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	483.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02365	0.6
53.00298	0.1
55.01873	0.2
57.17846	0.1
60.26394	0.1
69.03415	0.2
69.67941	0.4
69.68364	0.5
73.15206	0.1
78.23878	0.1
78.39778	0.1
79.01849	5.9
79.05486	0.2
81.07062	0.2
87.00822	0.2
91.05478	1.5
94.04172	0.3
95.04956	0.3
95.08591	0.1
97.02875	1.1
103.05453	0.2
105.07033	0.2
107.01312	1.1
107.04946	0.7
109.06488	0.3
115.05453	0.2
117.07011	0.2
119.04958	0.8
122.03642	0.4
123.00768	0.2
125.01447	0.2
125.02351	3.9
128.06216	0.5
129.06987	1.5
131.04933	0.2
135.08009	0.2
137.05969	5.5
143.03392	8.3
145.06458	0.2
151.03876	0.3
151.06389	0.1
151.07542	2.8
153.01820	100.0
153.02792	4.0
154.02171	0.5
157.06471	1.1
161.05998	0.6
161.09579	0.4
163.07538	0.5
165.06979	1.4
169.06459	0.2
172.34608	0.1
174.06770	0.5
175.07507	0.3
178.07779	0.7
179.08488	0.2
181.06480	0.3
182.07286	0.4
189.09103	2.1
192.09314	0.2
193.06509	0.7
193.10085	1.2
195.08035	0.3
196.08725	0.1
197.05963	0.2
202.07738	0.2
203.08556	0.4
205.06483	0.2
206.07256	0.2
207.08044	0.1
209.05963	0.2
209.09535	0.2
210.06712	0.8
211.07605	0.2
221.06041	1.1
221.09496	1.0
223.07481	0.3
224.08362	0.4
225.09035	1.0
227.07043	0.4
230.41884	0.1
234.06795	0.2
235.07544	0.3
237.05562	0.2
238.06169	0.3
238.09683	0.1
239.07040	0.2
239.10568	0.2
241.08618	0.2
249.09122	0.6
252.07863	0.3
253.08527	0.8
253.12241	1.8
255.06549	0.3
255.10164	0.2
266.09314	0.1
267.10141	0.8
269.08115	0.5
272.10425	0.2
281.11658	0.7
285.11218	1.6
287.12933	0.2
289.06946	0.1
301.06982	0.6
313.14337	2.0
331.15433	0.6
341.10272	0.5
355.79156	0.1
359.11182	0.6
393.69025	0.1
483.16412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03417	0.5
61.02920	3.3
65.94089	0.3
68.99781	1.2
69.03410	1.4
70.06586	0.6
71.04967	0.4
71.59423	0.7
73.02897	2.2
81.03403	0.8
84.08118	0.3
85.02895	3.2
91.03934	1.9
97.02871	1.6
98.09698	0.4
106.63887	0.4
109.02866	1.4
111.00793	1.5
115.05444	0.4
121.02852	0.7
123.04390	0.6
125.02388	0.4
127.03909	1.2
137.02325	5.8
137.03304	0.7
137.05930	0.4
144.93921	0.4
145.02844	0.5
147.04362	0.7
153.01797	7.9
163.03864	0.4
165.01836	1.9
166.02628	0.4
169.01274	1.9
171.04419	0.6
177.05450	0.9
179.03261	0.7
183.02846	0.7
189.05423	1.0
199.03812	1.0
203.03319	0.5
217.04961	2.2
235.06004	0.4
239.13887	0.4
245.04445	4.7
248.64722	0.5
255.02882	1.0
263.05493	0.6
273.03903	6.6
283.02484	0.7
290.04260	0.9
301.03329	6.1
317.02817	0.4
319.04434	100.0
320.04715	1.2
335.03928	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	481.0971
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
57.03419	0.6
59.52256	0.4
61.02917	6.6
68.99785	1.9
69.03418	1.5
69.51894	3.3
69.52294	0.6
73.02909	1.8
79.99734	0.4
81.03404	0.8
85.02894	5.7
91.03955	3.2
92.15997	0.4
97.02888	3.9
98.20737	0.8
98.66174	0.4
109.02899	2.0
111.00784	3.0
121.06467	0.6
124.68475	0.4
127.03906	0.9
137.02293	2.1
145.04941	0.5
153.01814	13.7
160.70326	0.4
161.06082	0.4
165.01851	4.3
166.02609	1.1
171.04353	0.5
177.05458	0.6
179.03375	1.7
183.02872	1.5
189.05479	1.2
190.84300	0.4
195.02829	0.8
199.03854	0.5
203.03395	0.8
203.79825	0.4
207.02966	0.7
217.04939	5.0
227.03288	0.6
229.04916	0.5
235.02213	0.5
235.05986	0.5
245.04449	6.5
255.02875	1.1
255.78757	0.5
263.05420	1.1
273.03952	4.8
277.89816	0.4
290.04221	1.0
301.03436	1.3
319.04453	100.0
320.04785	2.4
486.49518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0976
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03924	0.9
55.01854	0.8
57.03433	1.3
57.62344	0.2
61.02917	2.2
63.17980	0.2
68.99780	1.4
69.03419	7.3
71.01296	0.3
71.04971	0.7
73.02902	1.7
80.19508	0.2
81.03403	3.2
83.01322	0.3
85.02892	15.8
86.09705	0.4
87.04446	1.5
91.03929	0.7
93.03387	0.2
97.02370	0.2
97.02875	5.4
97.77722	0.2
99.04431	1.1
103.03956	0.4
109.02865	3.2
111.00787	2.7
111.04403	0.3
115.03893	0.2
120.08054	0.7
121.02819	0.2
125.02325	0.3
127.03897	4.2
133.02791	0.3
134.87996	0.2
136.11752	0.2
137.02328	2.1
139.03841	0.4
145.04956	1.9
147.04315	0.2
153.01804	12.5
161.02316	0.3
161.05972	0.3
165.01817	4.2
166.02582	0.6
171.04338	0.4
177.05449	0.3
179.03325	1.9
183.02881	1.2
189.05424	1.1
193.01201	0.4
194.02159	0.4
195.02890	0.6
199.03871	0.5
203.03358	0.6
205.04936	0.3
207.02795	0.3
208.03583	0.3
217.04932	4.2
219.02939	0.4
221.04410	0.5
227.03371	0.5
229.04915	0.3
229.81546	0.4
231.02881	0.4
233.04462	0.4
235.02354	0.6
239.01837	0.3
244.03708	0.4
245.04430	5.9
255.02863	0.8
263.05457	0.8
272.02988	0.3
273.03882	5.4
289.03378	0.4
290.04181	1.4
301.03403	1.5
317.02841	0.3
318.03616	0.4
319.04431	100.0
320.04901	1.2
331.79486	0.2
334.03165	0.3
343.04395	0.5
349.05331	1.3
361.05389	0.6
363.35016	0.2
423.94980	0.2
446.14261	0.2
481.09634	1.5
481.16699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05512	12.2
57.03434	4.4
57.07065	4.0
59.97152	1.5
62.06087	24.5
67.05495	6.9
69.07060	16.1
69.94157	10.1
71.08619	2.3
79.05482	3.7
81.07056	9.9
83.04979	2.1
83.08610	11.4
93.07036	5.2
95.08586	11.5
97.06601	1.5
97.10174	6.0
98.21527	1.8
98.98451	6.6
107.08589	4.8
109.10123	4.9
109.18722	1.7
121.10123	5.2
124.01612	2.0
135.11664	3.1
149.13223	2.1
155.01062	6.3
198.05287	1.9
216.06320	3.2
265.25241	4.3
308.29462	31.3
339.28903	100.0
419.25739	2.0
462.29663	3.6
480.30853	1.9
481.15152	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	481.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00374	0.7
53.00274	1.0
53.03938	9.7
53.74525	0.8
57.03424	3.2
69.03421	17.8
71.01341	1.9
71.04979	1.7
71.18374	1.4
71.18708	0.9
81.03409	100.0
83.01340	1.1
85.02895	7.6
89.03912	0.9
97.02892	4.4
99.04438	3.8
101.02365	1.5
105.03374	1.0
107.04910	1.3
109.02866	39.3
117.03350	1.4
127.03903	6.7
133.02826	3.7
135.04430	1.3
145.02827	2.1
147.04413	1.5
149.02357	0.9
151.03944	1.0
153.01817	1.1
153.09309	0.8
161.02325	5.4
163.03868	9.8
165.01819	1.1
173.02339	2.2
175.03883	0.9
177.01787	0.9
179.03375	4.7
181.39870	0.8
189.01820	13.2
191.03397	10.7
193.01289	1.7
195.02875	1.0
201.01799	4.6
203.03380	2.2
207.02882	11.0
217.01292	21.8
218.02029	1.6
219.02849	10.3
221.00822	3.5
229.01295	2.5
231.02888	2.6
235.02338	30.1
236.02580	1.1
239.01880	1.3
245.00763	14.9
246.01521	1.2
247.02382	7.6
257.00735	1.2
259.02429	1.4
263.01801	13.2
267.99515	0.8
273.00269	13.0
274.01218	1.3
275.01764	10.4
291.01233	7.8
291.28119	0.9
300.99738	6.6
302.00519	1.4
319.00836	5.4
337.01831	32.0
338.02072	1.0
374.93933	1.0
379.02936	1.2
403.02838	0.8
407.02426	1.9
445.04169	1.8
463.05011	15.1
464.05399	0.9
481.06079	98.5
482.06384	3.3
500.09390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0966
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
51.20020	0.4
53.03897	0.4
57.03377	2.3
61.02889	0.5
61.34032	0.4
68.08697	0.4
68.99732	0.8
69.03367	1.3
70.06541	0.8
71.59605	0.6
73.02901	5.0
77.66692	0.5
81.03370	1.0
81.07010	0.6
84.08115	0.4
85.02835	1.8
93.06989	1.0
97.02850	1.0
107.04897	0.7
109.02853	1.0
111.00678	0.7
120.08086	0.6
121.02844	0.5
123.00745	0.8
126.03111	0.6
131.04913	0.5
133.02821	0.4
137.02287	0.9
137.05963	0.6
139.03877	2.1
143.03340	1.4
147.04401	0.4
151.03882	0.4
152.01001	0.4
153.01805	16.8
163.03833	0.7
165.01802	1.2
166.02640	0.9
169.01265	3.5
171.27812	0.4
175.03725	0.5
176.04686	0.6
177.05379	1.1
179.03328	0.9
180.04152	0.7
186.01556	0.7
187.03864	0.6
191.03397	0.5
195.02742	0.5
201.05530	0.5
203.03378	0.7
204.04143	0.8
205.04861	0.8
215.03230	0.8
217.04890	1.5
217.20412	0.4
219.02850	0.9
223.02260	0.5
226.01006	0.7
229.04863	0.8
231.02885	0.5
232.03522	2.0
233.04413	0.8
235.02269	1.0
243.02884	1.0
244.03426	0.5
245.04373	1.9
247.05913	0.7
257.04437	1.0
260.03101	4.0
261.03857	2.5
270.01645	0.5
271.02280	1.2
273.03976	2.1
275.05432	1.3
277.03503	1.0
278.04108	1.1
285.03830	1.0
288.02591	5.0
289.03348	3.7
290.04144	0.6
301.11725	0.9
303.04987	4.5
305.02826	1.8
306.03656	1.9
313.03366	1.1
314.04095	0.6
316.02112	1.0
317.02805	4.7
318.03543	1.0
319.04446	23.3
320.04590	0.4
331.04480	4.7
333.02347	2.2
333.06030	1.6
334.03128	32.4
349.05487	100.0
350.05804	1.1
480.81845	0.6
481.09790	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05505	2.8
56.96550	0.9
57.03416	1.5
61.02911	2.7
67.05515	4.4
69.03407	1.5
69.07053	3.1
69.88456	3.1
69.88863	1.2
70.06581	1.5
70.67570	0.7
71.04968	0.9
73.02937	1.1
73.61790	0.6
79.05489	8.4
81.03410	3.5
81.07053	6.2
83.04978	1.3
83.08607	2.9
84.08117	1.1
85.02900	2.4
85.06502	0.9
86.09679	1.4
91.03959	1.2
91.05476	4.3
91.93761	0.8
92.38942	0.8
93.07039	11.6
95.04964	2.7
95.08610	12.0
97.02889	2.7
97.06513	2.2
98.20809	0.9
99.04475	1.9
99.43523	0.8
105.07022	2.7
107.04937	3.7
107.08597	10.1
109.02897	1.1
109.06558	1.2
109.10141	1.5
112.11200	0.7
117.07053	3.8
119.08583	3.6
121.06506	1.7
121.10127	6.7
125.05968	1.6
127.03914	1.9
133.10110	2.1
135.11687	21.7
137.05981	0.9
139.07512	1.1
145.02869	1.1
145.10112	12.0
153.01842	1.5
163.09827	1.7
163.11182	31.8
177.05528	1.6
181.12236	6.0
184.07327	2.3
191.03383	0.8
209.11678	1.3
212.66240	0.7
227.12770	52.4
231.02901	0.8
233.00616	0.8
255.92049	0.9
283.15393	100.0
284.15891	1.0
301.16455	1.7
303.04883	1.9
318.06891	2.0
319.04327	3.6
349.05658	1.5
427.06253	0.7
481.05817	1.7
481.20068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3081
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.44058	0.5
53.03931	0.8
55.05262	0.9
55.05508	13.9
56.96568	0.5
57.03434	7.6
57.07075	6.2
57.66732	0.5
61.02900	0.9
62.06075	0.6
67.05166	0.7
67.05499	10.5
69.07063	18.2
69.51334	4.1
71.04955	0.9
71.08626	3.9
79.05493	5.0
81.03452	0.5
81.07051	11.3
83.04956	0.8
83.08141	0.9
83.08611	12.2
85.10176	1.3
91.04025	0.4
91.05481	1.0
93.07030	6.4
95.08598	10.9
95.09173	1.1
97.06534	1.4
97.10153	6.8
98.20649	0.9
107.08572	4.4
109.10159	4.5
111.08073	1.7
111.11695	2.2
114.40963	0.6
121.10124	5.3
123.11698	1.5
135.11694	3.8
139.11143	0.5
149.13264	1.6
151.14851	0.5
163.14769	0.7
204.06604	0.6
216.06401	0.8
247.24217	0.6
265.25165	1.8
277.38068	0.7
308.29483	2.1
311.99756	0.6
317.17810	0.7
339.28912	100.0
340.29150	1.5
454.72180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
53.03941	8.8
55.05501	30.2
57.03423	37.1
59.05008	11.3
67.05502	100.0
69.03436	43.0
69.07051	38.2
70.17152	17.2
70.17561	29.4
71.01347	9.5
71.04984	11.5
73.02911	9.7
79.05483	64.6
81.03412	41.9
81.07053	98.8
83.04974	13.7
83.08610	18.5
85.02888	22.9
85.06507	9.4
87.04468	11.8
91.05489	77.2
93.07029	69.8
95.04953	32.6
95.08597	68.1
97.02882	20.6
99.04453	13.1
100.97059	8.3
103.03937	12.4
105.07027	60.6
107.04969	15.0
107.08570	44.0
109.02871	19.3
109.06514	10.7
109.10148	17.6
111.04390	16.7
117.07008	29.2
119.08591	51.9
121.06520	13.1
121.10144	27.2
127.03893	13.3
129.05577	12.5
129.06973	20.3
131.08560	43.8
133.10114	29.2
133.81320	9.4
135.11690	23.7
142.07721	10.6
143.08548	25.8
145.10101	37.2
147.11609	19.4
149.13187	8.2
155.08577	15.6
157.10117	22.9
159.11705	20.8
161.13271	14.0
169.10127	9.1
171.11659	14.3
173.13287	14.1
259.20798	11.0
261.21967	14.3
273.03641	9.5
292.18045	8.7
315.23151	10.5
317.24771	11.6
341.24579	9.0
358.16019	11.3
369.24472	19.8
369.57001	9.7
387.25250	20.5
443.27814	26.4
461.28949	51.9
479.30316	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.5
55.01858	11.8
55.05501	30.6
57.03436	34.7
57.07066	6.2
58.38097	3.5
61.02903	5.0
61.51284	3.3
62.10221	3.4
67.05170	6.4
67.05499	100.0
69.03123	4.7
69.03424	54.3
69.07067	29.2
70.04073	22.7
71.01340	5.7
71.04975	13.0
73.02917	7.8
79.05487	66.5
81.03415	40.1
81.07052	94.1
83.04957	15.8
83.08614	15.9
85.02882	25.9
87.04459	7.6
91.05476	67.1
93.07040	73.9
95.04948	17.1
95.08597	61.0
97.02883	24.1
97.06497	7.6
97.10165	4.2
99.04440	16.2
101.02351	4.4
103.03938	11.0
105.07027	66.5
106.38199	3.7
107.04929	9.3
107.08594	51.2
109.02848	16.9
109.06488	10.7
109.10143	31.3
111.04388	10.9
111.08084	5.1
112.43079	3.8
115.03911	4.7
115.05463	5.4
117.07008	34.8
119.08570	41.6
121.06506	9.0
121.10120	41.2
123.04408	5.6
123.08028	8.9
123.11672	7.0
125.05952	4.0
125.09671	4.4
127.03876	24.5
128.06213	8.5
128.08206	6.6
129.05461	11.9
129.06998	27.9
131.08569	41.2
131.67070	4.6
133.06465	9.9
133.10124	30.6
135.08018	9.6
135.11674	20.3
137.06015	5.2
137.09599	8.3
143.08549	18.0
145.04926	6.7
145.06461	11.0
145.10075	35.2
147.08057	10.0
147.11678	27.0
149.13222	13.6
151.11128	4.4
155.08591	11.3
157.06480	4.4
157.10081	19.9
159.08031	4.9
159.11684	26.6
161.13219	12.9
163.11136	4.6
167.08614	4.0
169.10118	9.7
171.11671	18.9
173.09610	6.4
173.13248	18.6
175.07533	6.2
175.11150	6.7
175.14871	5.0
181.10121	9.5
183.06537	6.5
185.13162	11.5
187.14824	7.1
189.09102	4.6
197.09528	4.2
197.13216	7.3
199.14830	7.7
209.13266	5.7
211.11214	4.2
211.14799	4.7
213.12680	4.8
227.14406	5.2
243.21051	6.9
259.20462	8.7
261.22159	14.1
273.21927	5.7
285.22040	5.5
303.23077	6.6
307.24478	4.5
315.23227	9.1
327.23013	9.3
335.25714	7.2
341.24530	6.7
345.24121	9.4
351.23010	13.9
369.24118	29.4
387.25345	20.3
405.26334	4.7
419.27817	9.5
443.27872	27.2
449.28943	7.9
461.28937	54.4
479.30042	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08545	0.6
50.31376	0.6
53.03930	1.1
55.01852	1.9
55.05497	1.5
56.96550	0.8
65.03925	1.2
67.05489	4.2
67.06081	0.7
69.03397	2.1
69.07052	1.5
70.06516	0.6
71.41801	1.4
77.03925	0.9
79.05488	8.4
81.03423	1.1
81.07044	5.9
83.08603	0.8
85.02896	2.3
91.05467	21.1
93.07028	5.4
94.04176	4.5
95.04969	5.1
95.08599	3.1
97.02867	1.2
97.06497	0.9
100.37590	0.7
103.05451	3.9
105.07009	6.1
107.04926	4.3
107.08593	4.9
108.05720	2.1
109.02876	0.9
109.06496	4.6
109.10148	2.6
115.05434	5.9
116.06235	0.9
117.07014	5.1
118.04156	0.9
119.04936	10.0
119.08569	3.2
121.06493	7.1
121.10136	1.1
122.03634	8.0
123.04433	0.8
123.08060	6.4
123.11706	1.0
125.06047	1.2
128.06213	3.0
129.06999	6.1
131.04901	2.7
131.08539	1.9
133.06499	2.2
133.10130	1.5
135.08043	4.2
135.11652	1.1
136.05150	2.9
137.05959	100.0
138.06252	1.0
143.04904	3.3
145.06438	3.5
145.10075	1.7
146.03572	0.9
146.07314	1.2
147.04352	1.0
147.08051	0.9
147.11635	0.9
148.05162	1.0
149.05945	4.0
149.09589	3.2
150.06741	1.3
151.03903	2.5
151.07526	62.9
153.01801	1.5
153.07047	1.2
157.06473	3.8
159.08052	1.6
160.05212	1.1
161.05962	23.9
161.09610	4.1
163.07494	6.0
165.06984	2.5
165.09097	3.1
167.07094	1.3
167.08533	1.9
174.06757	2.7
175.07524	7.0
177.05516	1.2
177.06883	1.6
177.09093	6.7
178.07700	1.2
179.08519	2.0
181.06506	2.5
182.07207	1.0
182.54185	0.7
183.07973	1.1
187.07523	3.0
187.14766	0.8
189.09096	13.2
191.08539	2.0
191.10526	0.8
193.06419	1.6
194.07253	2.2
195.08118	2.4
195.10135	34.5
197.05983	1.1
198.06776	0.9
205.06401	4.2
205.08266	1.0
206.07246	0.9
207.08035	2.4
207.10150	6.6
208.08850	0.9
209.05894	1.9
209.09734	0.8
210.06793	3.2
211.07533	2.3
213.09059	1.2
218.07295	1.4
219.08055	2.6
221.05937	3.5
221.09604	0.8
222.06735	2.7
223.07521	2.9
224.08307	1.9
225.09111	2.7
227.07062	1.2
227.10655	1.1
233.05951	2.4
234.06749	2.5
234.99103	1.2
235.07515	1.8
237.09041	7.7
238.06203	2.1
238.09813	1.0
239.06874	1.3
239.10609	1.5
240.07666	1.3
241.08623	2.0
245.09641	2.0
247.07538	1.8
249.09119	2.5
250.06290	1.6
251.07034	1.9
251.10583	2.0
252.07695	1.5
253.08575	5.6
255.10185	1.3
261.09137	1.1
262.06165	1.2
262.09921	1.1
263.06918	1.0
265.08548	16.9
266.09189	1.9
267.06577	1.0
267.10150	3.9
268.07248	1.6
269.08115	2.9
269.11713	1.1
270.08978	0.9
273.08783	1.0
273.11380	1.6
277.08615	3.0
277.12308	1.3
279.10211	2.2
281.24701	1.0
283.09540	6.4
284.10449	2.3
285.11237	11.2
291.10117	1.1
296.10431	1.6
297.11203	17.3
298.11783	1.1
299.12778	3.1
305.11829	2.2
309.11182	1.8
311.12778	12.8
317.13846	6.0
323.12921	3.4
332.05249	1.9
337.14297	4.1
341.13818	2.4
342.14883	1.0
347.07611	3.6
347.11292	0.8
355.15265	2.2
375.15686	1.2
387.24258	0.8
403.15445	1.7
429.17191	1.3
433.16299	1.0
435.18005	1.2
447.17932	1.0
461.19873	1.5
479.11414	1.2
479.20493	3.9
479.26141	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02087	0.4
55.01857	0.6
55.05492	1.7
57.07062	0.5
63.36816	0.4
67.05499	3.5
69.07052	1.6
70.04116	2.0
70.04478	0.7
71.04969	0.6
79.05489	1.6
81.03398	0.8
81.05241	0.4
81.07052	5.6
82.07422	0.5
83.04956	0.5
83.08607	1.1
85.02903	1.0
91.05462	1.9
93.07044	2.1
95.04945	1.4
95.08595	2.9
96.08929	0.5
97.02869	0.7
97.06530	0.5
98.20878	0.7
98.73108	0.4
105.07018	1.1
107.04931	1.2
107.08580	1.7
109.06527	2.0
109.10136	2.4
110.10413	0.5
113.09686	0.5
117.07056	0.5
119.08555	1.1
121.06465	1.1
121.10130	0.8
123.11674	0.7
129.07085	0.5
131.08591	1.2
133.10086	1.1
135.08090	1.0
135.11687	0.7
145.10086	0.6
147.11700	0.9
153.01921	0.4
157.10126	0.6
159.11578	0.4
165.09177	0.9
167.07091	0.7
187.07417	0.4
191.14224	0.5
192.30664	0.4
201.12872	0.4
219.13820	1.5
243.15973	0.8
245.07921	0.5
250.36583	0.4
253.65810	0.4
261.07483	0.5
275.10965	4.8
281.24786	1.6
282.25122	1.8
293.17276	0.7
317.13455	0.8
369.23761	0.7
414.09531	0.5
423.12299	1.1
461.28336	0.8
479.18851	100.0
480.19147	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
55.01868	10.3
55.05502	18.6
57.03408	9.4
57.57183	3.9
67.05489	20.6
69.03424	14.9
69.07056	14.5
71.60403	7.5
79.05490	42.7
81.03402	8.5
81.07056	37.8
83.04982	12.7
83.08616	7.3
84.08145	6.8
85.02911	10.5
85.06544	5.8
91.05479	35.5
91.73643	4.3
93.07043	36.5
95.04971	13.7
95.08597	20.6
97.02846	7.3
97.06532	4.6
97.10153	4.9
99.04471	5.8
103.05476	9.9
105.03377	4.5
105.07008	50.7
107.04944	16.3
107.08583	15.4
109.02887	7.2
109.06529	9.4
109.10173	13.0
111.04431	6.1
113.02433	4.7
115.05458	5.6
117.07053	5.0
119.04975	8.9
119.08532	14.5
121.06496	16.4
121.10124	13.4
125.02346	9.8
125.09674	6.0
131.04916	14.2
131.08574	9.1
132.05692	7.2
133.06473	24.4
133.10107	11.0
135.08070	13.0
135.11758	7.4
136.00986	4.6
137.05957	13.4
139.07529	5.7
143.08530	5.4
145.10141	7.0
147.04384	10.1
147.11671	10.8
149.05934	7.3
149.09624	5.5
149.13298	5.3
151.07527	10.2
152.06210	8.5
153.01862	27.0
153.05383	4.9
155.08562	6.1
161.05933	21.3
161.09650	7.0
163.03979	5.6
163.07507	8.0
163.11310	5.0
165.01849	16.6
165.05498	4.3
165.06998	13.4
165.09096	8.3
167.07033	39.8
167.08565	14.4
175.00290	5.5
177.01828	34.3
179.06952	5.6
181.01309	46.7
181.06482	8.4
183.08044	10.4
187.03909	7.4
189.05472	10.2
191.03323	11.1
193.01323	17.8
193.06499	9.8
194.27342	4.0
195.08081	21.9
197.00798	4.6
197.06024	5.1
199.03812	7.2
202.99742	28.6
203.03441	6.2
205.01328	6.5
205.06549	8.8
207.02727	5.0
207.06522	7.8
209.00821	10.6
211.02222	6.9
211.07576	15.0
217.01372	12.6
219.02956	11.0
219.06512	4.4
220.05197	5.3
221.00832	20.8
221.06013	19.6
223.02365	17.3
223.07491	28.5
229.05096	7.5
230.99365	8.1
231.02844	9.4
233.05994	6.3
235.02328	26.3
235.07549	12.7
239.07091	19.9
241.08528	11.7
245.00952	8.6
247.02415	7.7
249.00293	82.8
249.05779	24.3
250.01125	5.0
251.06935	28.6
255.02985	9.8
255.06601	5.0
257.04440	28.3
263.01862	23.9
267.06473	46.0
269.05252	6.1
269.07959	32.5
271.02219	10.1
271.06042	8.6
275.01944	7.3
279.06503	23.4
281.04547	6.2
281.08279	6.3
283.02386	25.2
283.05890	11.4
285.07492	7.2
291.01224	21.7
295.05960	76.6
296.06622	7.9
297.07529	70.2
299.09146	5.9
301.03452	7.8
305.03082	15.6
307.06042	12.5
311.09308	7.0
313.07037	47.7
313.10684	16.3
315.04990	16.2
315.08344	9.2
317.06512	7.8
323.05466	100.0
325.07031	62.2
327.08633	14.6
329.10172	7.5
339.08527	5.9
341.06570	81.8
343.08212	11.6
351.04959	46.7
355.08075	26.0
357.09509	20.3
359.07727	13.9
369.06018	74.7
373.09250	14.8
383.07596	34.4
387.07114	23.1
387.24973	6.1
397.05588	8.8
401.08881	21.6
411.07321	11.0
415.06195	10.6
419.10370	7.6
461.27640	6.4
479.29047	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	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01862	3.8
55.05492	10.9
58.13092	2.0
67.05492	8.8
68.99780	4.2
69.03407	3.7
69.07053	8.8
69.07411	2.0
70.72321	5.8
79.01836	3.8
79.05480	28.7
81.03393	4.8
81.07046	23.7
83.04971	12.7
85.02888	2.8
85.06516	4.1
86.09831	2.2
91.05473	20.6
93.07040	19.4
93.78989	1.9
95.04948	8.7
95.08585	7.4
97.02876	3.1
97.06529	4.5
103.05460	12.4
104.06209	2.4
105.03385	3.2
105.07018	38.5
107.04945	11.7
107.08594	5.7
109.06520	6.2
109.10130	5.0
111.04436	2.1
115.05479	2.3
116.63795	2.0
117.07036	3.6
119.04929	7.7
119.08537	6.2
121.06488	10.2
121.10137	7.3
123.11673	2.5
125.02336	6.5
130.17068	2.0
131.04903	12.6
131.08545	2.3
132.05635	6.2
133.06494	29.5
133.10109	2.8
135.04388	3.5
135.08017	6.2
137.02338	16.6
137.05969	8.0
137.13232	2.4
139.03873	4.1
145.10124	2.6
147.04428	12.2
147.11682	3.2
149.05910	8.6
151.03860	2.7
151.07573	11.1
152.06215	5.0
153.01828	21.3
153.06960	2.5
155.08556	4.4
159.04385	4.2
159.11508	2.2
160.05186	3.5
161.05943	36.5
163.03894	6.1
163.07533	4.9
165.01826	9.4
165.05670	3.0
165.06947	12.3
165.09117	5.2
165.12787	2.2
167.03392	6.4
167.07021	10.9
167.08557	8.4
169.06516	3.3
175.03726	2.6
177.01810	4.8
177.05464	7.9
177.07008	5.6
177.09158	2.4
178.02592	2.9
178.07794	2.9
179.03406	3.6
179.07005	10.0
179.08551	5.3
181.01279	28.3
181.06371	2.4
182.15361	2.5
183.02963	3.9
183.04498	6.5
183.07967	6.4
187.03860	3.8
188.04674	4.5
189.01826	4.0
189.05406	7.8
191.03355	9.1
191.06960	4.5
193.01338	19.9
193.06485	11.0
193.08490	5.6
195.08003	22.8
197.05956	8.3
199.03874	3.1
201.05579	2.5
202.99615	2.8
203.03325	3.8
205.01297	5.7
205.04869	7.3
205.06572	12.7
207.02861	3.7
207.06467	8.4
207.08110	4.9
209.00752	16.6
211.02342	12.2
211.07474	13.8
213.05386	3.2
217.01321	8.9
219.02878	5.6
219.06377	3.5
219.13943	2.4
221.05948	23.0
221.08072	5.2
223.02332	19.8
223.07518	16.3
225.05594	4.7
226.06219	2.5
227.03381	3.3
227.06975	6.6
229.04893	7.6
231.02834	4.8
233.05939	7.7
235.02396	18.1
235.07437	10.4
236.04802	2.6
237.05534	2.4
239.07019	22.4
241.08592	6.7
243.06407	3.3
245.00768	5.2
245.04529	2.9
247.02199	2.4
249.00327	19.4
249.05690	17.0
250.06322	3.4
251.06993	28.3
252.04199	3.6
253.04907	5.7
253.08583	3.9
255.02710	4.7
257.04416	26.3
263.01840	20.1
263.06979	3.2
267.06497	46.7
268.07278	3.6
269.04965	3.1
269.08038	29.9
271.02380	3.4
271.05930	5.3
271.09613	2.8
275.01563	2.3
277.04910	9.9
279.06558	22.8
280.03546	2.6
281.04431	7.0
281.07944	4.0
282.05109	2.8
283.02292	17.5
283.05649	3.5
285.04156	3.6
285.07544	10.4
291.01251	11.0
295.05969	80.3
296.06726	4.8
297.04297	4.2
297.07565	58.7
298.08182	2.7
299.01804	2.5
299.09085	9.3
301.03363	3.8
305.04422	8.0
307.06009	27.3
308.03217	5.1
309.03870	5.0
313.07025	41.4
315.05051	4.7
315.08429	5.1
323.01648	4.9
323.05447	95.2
325.06946	38.1
327.08670	8.1
333.04022	4.0
339.08267	4.7
341.06516	84.8
343.08145	6.8
351.04965	100.0
352.05249	2.9
353.06543	6.3
355.04266	3.6
355.08066	24.3
357.09540	9.7
359.07495	9.4
363.86377	2.7
365.06448	2.7
369.05988	80.3
373.09167	15.2
379.04398	9.1
383.07553	37.2
387.06937	17.5
397.05588	20.0
401.08728	21.9
411.06940	9.8
415.06631	7.8
419.09634	4.8
429.08118	7.8
433.11334	2.6
436.31558	4.0
479.26028	3.7
501.88232	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28116	0.2
52.49278	0.2
55.01847	0.2
57.03407	0.4
57.45018	0.2
60.01724	0.2
61.02919	4.8
61.54763	0.2
69.03405	0.5
69.42179	2.1
73.02892	1.0
81.03407	0.4
85.02898	4.0
91.03951	2.9
92.02606	0.8
93.03378	0.9
97.02884	2.5
101.02351	0.3
109.02901	0.4
110.03607	0.3
121.02830	0.7
121.10129	0.3
126.03164	0.4
127.03924	0.7
137.02235	0.6
137.05959	0.5
139.03853	0.4
145.04944	0.4
151.03894	0.6
153.01813	6.0
158.97110	0.2
165.01790	0.4
177.05527	0.6
200.04642	0.4
201.05489	0.6
203.03371	0.6
217.04953	0.9
218.05598	0.5
228.04149	1.8
229.04932	3.1
245.04372	1.0
246.05190	1.5
256.03720	0.4
257.04401	2.2
260.03250	0.4
267.16193	0.3
273.03888	1.2
274.04718	4.9
285.03943	3.7
301.03448	2.8
302.04187	20.4
303.04636	0.4
317.06528	100.0
318.06842	1.3
329.06528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
61.02921	5.4
61.39403	0.3
67.05480	0.2
68.99780	0.3
69.03410	1.0
70.15112	0.8
70.15508	0.4
73.02911	1.2
81.03391	0.7
85.02423	0.3
85.02899	4.4
91.03944	2.7
91.05449	0.3
92.02616	0.9
93.03384	0.9
97.02880	3.1
98.21437	0.2
99.04450	0.4
109.02853	0.3
111.08027	0.3
121.02869	0.8
126.03125	0.4
127.03890	0.5
129.01807	0.3
137.02307	0.6
137.05911	0.4
139.03896	0.9
145.04947	0.6
151.03885	0.9
151.07494	0.3
153.01813	6.5
161.05981	0.3
163.03812	0.3
165.01781	0.4
166.02586	0.3
177.05473	0.6
182.38260	0.2
193.01346	0.3
193.12137	0.2
201.05428	0.6
203.03387	0.4
204.04144	0.5
217.04930	0.7
218.05748	0.6
219.02881	0.3
228.04199	1.9
229.04930	3.2
231.02890	0.5
245.04482	1.2
246.05208	1.9
256.03702	0.5
257.04398	2.2
261.07715	0.2
268.04065	0.3
273.03958	1.6
274.04688	4.8
285.03928	4.2
288.06271	0.4
301.03381	4.3
302.04169	24.5
303.04663	0.4
316.05670	0.2
317.06522	100.0
318.06845	2.0
376.55771	0.3
377.83896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.82943	0.1
53.03918	0.2
55.01865	0.2
57.03399	0.5
61.02919	0.7
66.01031	0.3
66.17500	0.1
68.99776	0.2
69.03425	2.2
69.93043	0.4
69.93456	0.4
71.01345	0.2
71.04949	0.2
73.02890	0.3
74.61119	0.1
74.78693	0.1
81.03425	0.6
81.86853	0.1
85.02898	4.1
85.90209	0.1
87.04452	0.7
87.11341	0.2
91.03924	0.2
92.02563	0.2
97.02870	1.1
98.20793	0.2
99.04425	0.4
103.03899	0.3
109.02824	0.6
110.03656	0.7
119.26642	0.1
126.03088	0.2
127.03903	1.0
133.36789	0.1
133.52980	0.1
137.02309	1.9
137.05907	0.2
145.04892	0.5
150.03055	0.2
153.01817	1.5
165.01851	0.1
166.02565	0.2
166.34991	0.2
192.04070	0.2
193.01266	0.4
200.04648	0.7
201.05452	0.2
203.03354	0.2
204.04121	0.6
217.04913	0.4
218.05792	0.2
228.04144	3.4
229.04921	1.6
235.57835	0.2
243.06467	0.1
245.04437	1.8
246.05240	0.4
256.03662	0.8
257.04419	1.6
271.05936	0.1
273.03845	1.1
274.01642	0.3
274.04675	5.6
275.05090	0.2
285.03943	1.4
301.03403	15.2
302.04181	62.2
303.04575	1.3
313.03287	0.2
315.05109	0.5
316.05692	0.3
317.06525	100.0
318.03607	0.8
318.06897	1.5
327.04861	0.2
333.05984	1.7
341.06989	0.2
359.07773	0.9
461.10345	0.2
479.11813	22.3
480.12219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88759	0.5
53.74455	0.5
55.05502	3.4
57.07069	3.8
57.28209	0.5
62.81080	0.5
67.05496	4.8
69.03426	1.0
69.07062	13.7
70.18869	1.1
70.19288	1.7
71.04974	1.5
71.08604	1.5
79.05466	2.1
81.07049	13.1
83.08130	1.0
83.08604	9.9
85.02878	1.5
85.06526	2.1
85.72350	0.5
91.05448	1.5
93.07031	8.8
95.08597	33.2
97.10166	3.0
98.21408	0.6
105.07024	2.9
107.08585	9.0
109.10148	8.3
111.08064	1.4
111.11687	0.8
113.09628	13.7
115.90649	0.5
119.08566	4.5
121.10126	5.9
123.08048	2.0
123.11694	3.8
125.09624	2.2
133.10107	5.1
135.11688	4.9
137.09583	6.4
137.13231	2.0
139.11177	1.0
141.09052	0.6
145.56152	0.5
147.11662	2.8
149.13245	8.8
151.11119	2.7
151.14819	0.7
159.10236	1.1
161.13232	2.6
161.34789	0.5
162.07599	0.6
163.14790	2.0
167.14279	3.1
175.14832	2.9
185.15402	0.7
189.16389	5.0
205.19492	1.9
245.22607	12.6
257.47827	0.5
263.23642	7.9
281.24716	100.0
282.25085	2.1
372.62579	0.6
386.24170	0.6
436.19479	0.7
460.09839	0.6
479.18481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01860	1.3
55.05510	7.8
55.83146	0.9
57.03425	1.5
57.07060	3.6
66.25951	0.9
67.05501	10.1
69.03421	1.5
69.07062	15.7
69.62743	6.5
70.00066	1.1
71.04990	2.7
71.08623	1.5
79.05499	6.1
81.03424	1.8
81.07052	21.4
82.07396	1.2
83.04977	1.2
83.08622	14.1
85.02917	5.5
85.06529	3.3
91.05458	4.3
93.07041	13.2
95.04945	1.2
95.08599	45.3
96.08908	1.3
97.02900	1.1
97.06529	1.7
97.10155	4.6
99.08099	1.2
105.07013	6.0
107.08589	14.7
109.02869	1.2
109.06498	1.4
109.10161	14.0
111.08115	2.1
113.09646	15.3
119.08560	6.2
121.10126	8.4
123.08070	1.7
123.11730	7.0
125.09591	2.4
125.13230	1.0
126.40440	1.0
131.08578	1.6
133.10110	6.3
135.11659	6.2
137.09641	7.9
137.13242	4.3
145.06474	1.1
147.11687	3.4
149.13232	11.2
149.33560	1.1
151.11176	4.6
151.14865	1.4
159.10162	1.5
161.13222	2.8
163.14824	2.2
167.14307	4.9
175.14787	3.5
177.16382	1.4
183.10016	1.0
185.15372	2.8
189.16428	4.2
203.17978	1.1
205.19458	1.8
217.55801	1.2
245.22636	17.3
259.61938	1.0
263.23642	13.7
281.24734	100.0
298.10254	1.0
299.25952	5.7
299.28735	1.0
318.53043	1.0
338.29416	1.1
386.24057	2.0
433.89706	1.0
460.27542	1.3
478.28992	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	478.2924
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.92143	0.2
53.03926	0.7
53.09196	0.2
55.01850	0.4
55.05505	12.3
57.03431	6.8
57.07071	1.7
62.06071	0.8
65.03937	1.0
67.05495	25.9
69.03412	0.3
69.07058	16.9
69.94013	1.3
71.04974	0.8
71.08617	0.6
79.05485	7.0
81.07047	25.6
82.07392	0.4
83.04953	0.9
83.08605	7.6
85.06509	0.7
85.10155	0.3
91.05470	5.0
93.07029	7.2
93.45543	0.2
95.04938	0.8
95.08593	19.3
97.06513	1.4
97.10162	3.1
98.06038	0.8
98.98435	0.6
99.08050	0.7
105.07021	3.5
107.08572	3.6
109.06490	0.4
109.10143	7.1
110.06715	0.3
110.09731	0.2
111.08073	0.7
111.11684	0.6
113.09618	0.3
116.18764	0.2
119.08570	3.0
121.10131	2.7
123.08074	0.5
123.11697	2.2
124.01582	0.4
125.09662	0.3
133.10117	2.8
135.11674	1.4
137.09529	0.4
137.13199	1.0
139.11194	0.3
147.11694	1.3
149.13255	1.0
151.11186	0.3
151.14824	0.5
161.13187	1.1
163.14809	0.6
175.14813	0.8
189.16353	0.3
198.05225	0.4
216.06270	0.7
219.17514	0.3
245.22675	0.5
263.23657	1.2
306.27844	4.4
337.27313	100.0
338.27597	3.2
478.38507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05504	10.4
55.28528	0.7
57.03437	4.0
57.03659	0.7
57.07069	1.6
62.06083	32.5
67.05499	26.3
69.07065	10.7
71.08627	1.1
71.11567	1.9
79.05486	8.6
81.06572	1.6
81.07047	22.9
82.22121	0.7
83.08608	7.4
91.05481	4.6
93.07037	8.2
95.04970	0.9
95.08600	19.5
97.06513	1.5
97.10155	3.5
98.06041	1.2
98.98459	8.2
105.07018	3.8
107.08566	5.3
109.10150	6.6
111.11647	1.0
119.08569	3.1
121.10127	2.9
122.34669	0.8
123.08118	1.1
123.11713	3.7
124.01672	1.9
133.10091	2.7
135.11696	2.6
142.02650	1.7
147.11674	1.3
149.13217	1.5
155.01039	5.7
155.02122	1.0
161.13144	1.2
163.14789	1.3
173.02077	1.2
175.14674	1.1
177.16426	1.1
198.05261	1.8
203.82919	0.9
216.04410	0.9
216.06241	3.9
245.22647	2.0
263.23746	5.4
277.41782	0.9
306.27902	12.7
337.27328	100.0
338.27655	3.6
417.23734	0.8
460.28110	3.6
478.29160	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	477.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56473	5.0
55.01860	6.6
55.05508	100.0
57.03412	9.5
62.52007	4.3
65.03936	4.9
67.05500	94.1
69.07048	22.2
77.00928	4.4
79.05489	80.2
79.39397	4.7
79.65780	4.1
81.07050	82.8
83.04951	6.8
83.08616	26.6
91.05481	32.5
93.07030	64.1
95.04961	13.7
95.08599	73.5
97.06497	8.1
97.10158	39.9
98.20779	10.4
104.09480	5.1
105.07018	30.9
107.08582	43.8
107.38721	5.1
109.10143	28.4
111.08045	7.5
117.07011	11.7
119.08556	16.7
121.10117	25.8
125.09634	39.4
131.08554	19.1
133.10104	22.3
135.08070	5.0
135.11644	23.0
137.13225	8.7
143.08606	5.8
145.10138	13.9
147.11658	7.2
149.13231	10.7
155.21590	5.2
156.82799	4.5
159.11748	8.9
161.13219	5.8
173.13240	11.5
185.13153	5.3
199.13214	7.4
232.07466	5.0
261.22128	13.0
263.23663	9.5
286.54257	5.3
403.31738	8.1
459.34674	15.5
477.35828	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	478.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
61.01130	0.5
61.02889	1.8
69.03400	0.8
69.44755	4.0
70.06559	0.5
72.08141	2.6
73.02898	0.5
73.08464	0.8
80.24672	0.4
81.07053	0.4
83.08625	0.7
85.02879	1.6
89.00882	0.4
91.03923	1.8
91.68816	0.4
97.02854	1.7
98.20755	1.1
104.05263	0.7
157.07434	0.4
159.57813	0.5
159.66513	0.4
174.10353	1.5
183.10866	1.3
184.02815	0.9
192.11888	0.5
201.12639	1.4
202.10345	0.4
205.62624	0.6
210.13138	0.7
214.63194	4.5
215.13358	0.6
219.13278	2.5
219.63385	0.5
223.63789	5.2
224.11705	0.4
224.13936	1.5
228.13814	11.2
228.63878	2.4
237.11861	0.9
237.14331	26.8
237.64476	6.1
246.14865	100.0
246.65012	19.2
248.07623	0.8
255.15163	0.5
257.65836	0.6
261.41492	0.5
264.13953	0.5
265.12256	0.5
266.66156	1.5
283.13065	0.8
355.18045	2.0
373.19272	1.0
407.23248	0.6
477.33102	12.3
478.33386	21.8
491.29034	3.4
492.29181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	9.0
55.05505	75.2
57.03420	8.3
57.07059	3.2
59.04992	2.7
61.63972	2.6
65.03926	3.4
67.05497	84.4
69.03422	4.1
69.07060	30.4
70.04156	5.1
70.04552	8.7
79.05054	5.6
79.05488	73.5
79.05952	3.9
81.07045	76.4
83.04961	3.8
83.08607	28.3
84.35612	2.7
91.05475	32.8
93.07033	55.0
95.04967	7.6
95.08594	90.5
97.06516	7.5
97.10157	43.6
105.07024	22.5
107.08576	41.8
109.10149	27.5
116.72045	2.6
117.07030	7.1
119.08543	17.4
121.10118	22.3
123.11720	7.6
125.09618	44.5
129.07019	3.4
131.08543	12.8
133.10097	15.3
135.11639	18.6
137.09700	2.8
137.13228	5.0
143.10680	8.9
143.22684	3.0
144.26311	2.6
145.10144	15.6
147.11678	8.7
149.13293	10.8
159.10272	4.2
159.11707	9.9
161.13248	8.2
163.14821	6.0
173.13258	12.0
175.14815	5.4
181.34738	2.8
185.13240	3.3
187.14864	6.5
199.13303	11.0
243.21080	4.8
261.22098	15.0
335.25665	5.2
338.44290	3.4
385.30911	7.7
403.32193	8.5
405.26385	2.8
459.34760	11.1
477.35773	100.0
478.36148	9.2
499.69235	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	477.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02955	2.0
53.03194	2.2
53.03949	5.2
55.01859	6.6
55.05505	33.6
56.30766	1.8
56.62554	1.8
57.03419	5.9
57.07062	10.2
65.03945	3.5
67.05499	60.0
69.03412	5.2
69.06712	3.8
69.07063	47.9
71.04996	4.9
71.59958	3.5
77.39069	2.2
79.05486	36.6
80.69813	2.7
81.03421	7.8
81.06570	4.9
81.07053	100.0
82.07343	2.3
83.04966	7.6
83.08609	22.3
85.06528	7.8
91.05474	27.5
93.07037	44.6
95.04965	14.1
95.08602	68.3
95.24043	2.2
95.48322	2.3
97.06515	8.3
97.10181	17.8
99.04451	3.8
105.07029	21.0
106.98048	2.1
107.04929	8.7
107.08590	34.0
109.06493	17.0
109.10149	46.8
111.04427	3.4
111.08048	4.7
111.11702	6.0
117.07015	9.7
119.04961	2.4
119.08547	17.2
121.06512	12.0
121.10119	22.4
123.04413	6.0
123.08067	8.9
123.11702	23.4
125.05968	7.9
125.09622	7.3
129.06992	6.5
131.08565	20.0
133.06467	4.2
133.10124	17.4
135.08081	7.1
135.11687	14.2
137.05960	29.7
137.09607	5.4
137.13272	10.5
139.07532	42.0
141.06912	2.7
143.08551	3.3
145.06456	4.5
145.10132	12.3
147.08025	6.5
147.11647	11.0
149.05965	6.3
149.09576	13.1
149.13251	10.6
151.07527	23.2
151.11159	4.1
151.14845	3.6
153.01846	5.3
153.09129	3.9
157.10130	6.0
159.07965	3.0
159.11728	9.0
161.05969	3.0
161.09636	6.8
161.13214	3.7
163.11168	9.6
165.05511	13.6
165.09134	10.5
165.12785	3.3
167.07054	14.9
171.11734	4.2
173.09633	7.5
173.13272	3.8
175.07529	4.6
175.11247	5.4
175.14922	2.8
177.09100	55.1
177.16301	2.8
179.07019	11.8
179.10658	2.5
181.08556	7.9
183.11607	2.4
185.09550	2.3
185.13181	2.6
187.11206	4.1
189.09042	2.6
189.11200	4.5
189.12769	7.1
191.10674	6.3
191.14345	3.0
193.08572	12.3
193.12265	6.0
195.10168	2.6
195.33116	2.3
199.11121	3.9
201.12715	3.1
203.10577	3.8
203.14337	3.1
205.12245	13.7
207.13811	3.2
209.11693	2.9
213.12833	2.3
219.13870	2.7
221.11598	4.6
227.12746	5.7
233.11777	2.3
233.15323	9.2
235.13246	6.2
237.11243	7.2
247.16852	2.8
259.17105	2.4
261.25739	2.6
271.17157	2.4
279.26874	3.3
281.24698	3.0
287.16553	2.4
289.21628	2.7
295.20557	2.1
303.26947	4.9
305.21106	2.2
321.27805	3.9
357.24271	4.7
367.22610	10.6
385.23566	19.1
395.33078	3.0
399.32544	3.4
403.24554	5.3
413.34091	7.4
417.33481	3.7
423.32422	7.6
431.34995	5.3
441.27243	3.0
441.33606	16.6
459.27515	12.7
459.34622	38.3
460.35117	2.6
477.28333	27.7
477.35580	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	477.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01856	1.2
55.03892	0.5
55.05506	5.2
56.96539	0.6
57.03427	0.7
67.05495	9.5
69.03404	1.4
69.07048	2.2
71.04996	0.9
71.59351	0.5
71.59680	0.6
79.05495	5.6
81.03413	2.6
81.07050	11.3
83.04961	2.0
83.08596	2.6
84.19179	0.6
85.02889	1.1
85.06519	1.3
86.09714	0.5
91.05471	4.7
91.06029	0.7
93.07037	5.8
95.04948	3.8
95.08598	14.2
97.10142	2.7
101.05995	0.8
103.05447	0.7
105.07022	4.8
107.04918	1.8
107.08603	3.1
109.02920	0.5
109.06536	1.3
109.10146	9.4
111.04411	0.6
111.08032	0.7
115.05436	0.7
117.07018	0.9
119.04977	0.7
119.08552	3.0
121.06499	2.0
121.10136	2.3
123.04418	1.0
123.08047	11.1
123.11703	5.4
124.54886	0.5
125.09623	2.1
129.06984	1.3
131.08565	1.7
133.06525	0.6
133.10147	2.6
135.08044	1.9
135.11684	2.0
137.09596	2.7
137.13239	0.9
139.07501	0.6
141.06927	0.7
143.08551	1.1
145.10100	1.3
146.99596	0.6
147.08044	1.0
147.11659	1.2
149.09567	1.8
149.13277	1.0
151.07527	100.0
152.07899	1.0
153.01788	2.2
155.08501	0.7
155.10616	1.0
157.10106	1.1
159.08000	1.0
159.11633	1.1
161.09595	2.4
163.07419	0.5
163.11208	0.9
163.14824	0.6
165.09105	8.0
171.11662	1.0
173.09592	1.4
173.13129	1.0
175.11142	4.0
177.09096	2.2
187.11169	1.8
189.09187	0.8
189.11243	1.2
189.12764	1.7
191.10649	9.0
193.12164	0.7
197.13281	0.7
199.11172	1.6
201.11168	0.9
203.10628	1.4
205.12233	5.0
214.91803	0.5
215.14244	1.2
217.12296	1.0
219.13861	1.1
227.12659	1.1
233.15387	1.5
235.13249	0.8
267.15692	0.6
272.16486	1.5
273.14771	0.8
285.00198	0.6
285.18350	0.8
293.24643	0.8
303.19479	3.1
316.19009	1.2
349.21930	0.7
357.23914	0.7
367.22678	3.4
385.05298	0.9
385.23697	3.1
395.29364	2.3
403.24515	1.5
413.30435	5.0
431.31528	2.2
441.29648	0.6
459.26660	3.1
477.23813	3.1
477.28738	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.7
55.05509	63.4
57.03178	1.9
57.03437	8.8
57.07072	2.5
59.05007	2.7
65.03947	4.5
67.05502	50.4
69.03430	9.4
69.07079	16.0
70.05199	5.2
70.05603	6.9
70.55698	2.2
71.04980	3.7
79.05048	4.5
79.05494	61.0
81.03423	18.0
81.07051	49.3
83.04981	7.7
83.08617	25.3
83.28114	2.1
91.05479	34.4
93.07049	31.6
95.04977	21.4
95.08607	21.2
97.06534	7.0
97.10163	60.4
97.32352	2.1
98.20758	2.3
103.05506	3.2
105.07024	24.5
107.04954	43.1
107.08595	35.5
109.06525	10.2
109.10139	15.5
111.08080	6.1
113.06008	3.7
115.05431	4.1
117.06992	16.8
119.04945	2.8
119.08581	13.9
121.06511	28.4
121.10143	8.1
121.57704	2.0
123.04439	3.7
123.08069	11.7
125.06032	3.1
125.09621	43.4
128.06273	2.4
129.07024	13.7
131.04951	4.5
131.08600	16.8
133.06488	9.2
133.10144	13.6
135.08078	9.1
135.11703	6.8
137.09639	2.2
141.06973	4.4
142.07768	3.0
143.08569	11.3
145.06480	24.2
145.10139	7.9
147.04417	5.4
147.08063	9.9
147.11678	9.2
149.05988	4.1
149.09641	6.0
149.13300	3.3
153.09084	12.4
153.12834	3.9
155.08594	3.9
157.06537	5.0
157.10132	9.7
159.08090	7.1
159.11684	4.4
161.05939	3.0
161.09550	3.2
163.11185	4.8
165.09160	2.2
165.12735	2.3
167.08548	4.2
169.06497	2.9
169.10123	3.5
171.08037	5.5
171.11681	6.3
173.09648	6.5
173.13211	2.4
175.11212	5.7
183.11777	3.5
185.09601	4.5
185.13272	3.5
187.11194	4.7
187.14871	2.5
189.11226	26.7
189.12811	5.5
193.12288	8.3
195.11745	2.9
197.13330	4.7
199.11243	6.7
203.14247	3.0
204.36722	2.3
205.12167	3.8
211.13306	5.3
213.12810	2.7
213.52338	2.2
215.14342	6.1
216.00444	2.3
217.12289	4.9
223.13200	4.1
225.12755	2.8
227.01462	2.7
227.12541	10.5
227.14687	2.8
231.13783	3.0
233.15398	15.7
235.13318	4.6
237.12749	5.0
239.14491	2.5
241.12178	2.4
241.14119	4.1
245.15584	4.0
255.13849	4.7
259.13156	2.9
267.16055	5.0
273.14847	23.1
291.15887	5.5
339.23328	10.1
349.21561	19.2
357.24277	8.9
367.22662	56.7
368.22864	4.0
385.23740	100.0
386.24106	2.6
403.24841	29.6
413.26443	2.2
441.26401	9.7
459.27408	60.1
460.76059	2.3
477.28665	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	477.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
53.17869	0.5
54.30291	0.5
55.01887	1.6
55.05504	5.2
55.05698	0.5
56.96574	0.6
57.03447	1.5
63.34631	0.5
64.03104	0.6
67.05489	6.1
67.05765	0.6
69.03429	1.1
69.07075	2.6
70.95169	1.6
73.32577	0.5
77.27801	0.5
79.05482	5.2
81.03419	3.0
81.07046	8.3
83.04958	1.0
83.08630	2.7
91.05468	4.1
93.07024	5.1
94.07813	0.5
95.04964	2.9
95.08579	3.0
97.02921	0.8
97.06548	0.7
97.10155	3.1
105.07026	5.0
107.04966	2.5
107.08566	3.7
109.06509	1.0
109.10165	1.7
111.08065	0.7
117.07022	2.3
119.08558	3.2
121.06488	1.4
121.10137	2.3
122.33427	0.7
123.08071	1.4
123.11707	1.2
125.09664	1.5
128.06195	0.9
129.07027	0.9
131.08582	2.5
133.01039	0.6
133.06509	1.1
133.10132	1.8
135.08057	1.4
135.11703	2.1
136.01945	0.5
143.08565	1.6
145.06485	1.0
145.10118	1.8
147.11716	2.1
151.50487	0.6
153.01778	0.6
153.09088	1.1
157.10139	0.9
159.08046	0.7
159.11681	1.5
159.62993	0.6
161.09637	0.7
163.11194	1.6
165.12822	1.1
171.11705	0.7
173.09674	1.2
182.70294	0.6
185.04257	3.8
189.11258	1.3
193.12221	1.0
203.06775	0.6
209.11603	1.0
215.98445	0.7
219.01282	0.6
227.12761	1.8
233.15286	1.7
240.46925	0.6
267.15894	0.8
273.14764	1.1
315.19260	96.6
316.19601	2.2
328.20773	0.6
333.18988	4.0
349.21487	0.8
357.24121	1.3
367.22623	3.5
375.25003	0.7
385.23630	6.5
403.24777	3.6
441.26303	0.8
459.27338	4.3
477.24371	100.0
478.24582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2115
Annotation	Toonaciliatin G
Peak:m/z	Relative Intensity
55.01863	1.8
55.05499	1.9
56.98761	1.0
57.03423	1.5
67.05495	3.0
67.50631	1.0
69.03412	2.9
69.07047	3.5
70.14117	4.7
71.04989	7.0
72.93798	1.1
73.02898	5.1
79.05468	3.0
81.03384	1.4
81.07047	4.1
83.04971	1.5
83.08614	1.4
85.02898	11.7
87.04449	1.0
90.94801	1.5
91.05471	6.0
93.07030	2.8
94.04194	1.2
95.04943	3.4
95.08600	3.1
97.02879	1.0
97.06522	0.9
97.10166	1.1
99.04420	2.1
100.01436	1.0
103.05446	1.8
105.07021	3.4
107.04946	3.1
107.08572	2.5
109.02870	1.6
109.10118	2.8
111.04446	1.7
115.05451	4.1
117.06979	3.1
119.04952	3.2
119.08562	1.6
120.37582	0.9
121.06466	2.2
121.59850	0.9
122.03631	7.3
123.08046	2.6
123.11703	1.1
125.09635	1.0
128.06187	2.4
129.05397	1.6
129.06975	3.0
131.04924	5.1
131.08575	1.7
132.95805	3.1
133.06506	1.3
135.04422	1.5
135.08052	2.6
137.05956	100.0
138.06282	1.1
141.06909	1.8
143.04901	3.5
143.08546	2.7
144.05679	1.3
145.06451	2.5
145.10124	1.2
146.97353	1.8
147.04376	2.2
147.08058	1.1
149.05960	2.8
149.09596	1.9
150.96899	2.6
151.03912	2.7
151.07518	27.4
153.01898	1.8
153.06981	1.1
155.08493	2.2
157.06482	4.0
158.97371	1.8
160.05177	2.8
161.05936	9.0
161.09555	1.2
162.96906	1.4
163.07541	6.3
165.06911	1.8
167.07068	7.5
167.08452	1.5
169.06526	1.4
170.97409	1.1
171.08034	4.7
174.96861	6.7
175.07515	26.6
176.98415	1.6
177.05440	10.7
177.09113	5.8
179.07037	4.2
181.06482	2.0
183.08032	3.7
186.96849	1.4
187.07556	5.7
189.09048	8.9
191.06985	5.4
191.10623	1.7
193.08519	2.2
195.08261	1.9
195.10132	12.3
197.09367	1.4
198.06790	1.1
198.11143	1.4
198.96863	3.1
199.07449	2.3
199.11420	1.6
201.09123	3.1
203.06990	4.0
203.08871	1.6
203.10596	6.2
204.97926	2.2
205.08546	2.2
207.10170	2.1
209.07970	1.6
211.07550	1.5
212.08324	1.2
213.09027	1.7
215.07027	2.0
216.97910	1.7
217.08609	3.8
219.08141	1.3
219.10086	5.1
221.11566	1.3
224.08447	1.3
225.09007	2.9
227.10834	1.3
229.08553	1.3
231.07994	1.3
231.10152	1.7
234.06783	1.2
234.98976	5.3
239.10626	1.2
241.08559	1.6
245.09351	2.8
246.99013	1.4
249.08946	2.3
253.12061	1.3
255.10069	1.6
261.08908	1.2
261.11215	3.7
265.08640	3.5
273.08841	1.4
275.07193	0.9
276.07809	1.4
277.08658	3.1
278.09256	1.3
279.10062	2.3
281.11453	1.0
287.07233	1.1
287.12787	3.9
290.09204	1.2
291.09793	2.4
293.08078	1.2
297.11334	3.1
298.08044	1.9
299.12723	3.2
305.11667	4.6
307.09555	1.4
308.10345	1.1
309.11087	2.6
311.12769	6.2
313.14343	2.3
317.11612	5.1
321.11215	4.4
322.12109	1.2
323.12595	5.3
325.14374	1.5
327.08914	1.4
329.13913	1.6
331.15228	8.1
335.12518	4.7
337.14285	4.0
341.14026	2.5
343.15479	4.6
345.09940	2.3
349.14243	3.6
355.15375	3.0
357.09885	3.5
357.16956	3.2
367.15329	12.8
379.15320	1.8
385.16318	2.7
385.23688	1.4
397.16388	1.9
405.16910	2.4
423.17935	3.3
441.18845	1.4
455.49335	1.3
460.13394	1.2
477.16464	3.7
477.23056	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.3
55.73631	0.9
57.03423	3.8
57.07043	1.4
62.06090	37.0
67.05167	1.9
67.05504	28.5
69.07067	8.2
69.91512	1.0
71.41994	1.4
71.42336	2.0
79.05489	15.1
81.07054	23.4
83.04951	2.0
83.08620	3.3
91.05477	9.0
93.07043	18.7
95.04954	2.1
95.08603	22.9
97.10165	0.9
98.06045	2.0
98.98459	9.8
105.07022	6.4
107.08593	9.5
109.10147	7.2
117.06986	1.7
119.08588	6.7
121.10139	7.7
123.08015	1.1
123.11707	2.7
131.08549	3.5
131.42204	0.9
133.10123	4.2
135.11667	5.7
142.02580	1.5
145.10071	2.8
147.11687	2.7
149.13254	2.7
155.01053	2.6
159.11697	2.6
161.13252	2.2
163.14854	2.3
173.02130	3.3
173.13300	1.2
187.14711	1.1
198.05313	3.1
216.06288	3.1
243.21153	2.0
261.22159	6.5
304.26443	8.3
317.24673	2.4
335.25793	100.0
336.26169	1.9
415.22385	1.4
458.26587	2.8
476.27792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47395	1.4
57.03428	3.5
69.03434	1.9
69.39939	4.0
69.40366	9.9
71.04991	22.0
73.02914	6.9
79.05489	3.2
83.05005	1.9
85.02897	29.4
87.04451	2.0
91.05482	7.9
94.04154	3.2
95.04974	1.9
99.04440	1.8
100.99642	1.5
103.05455	2.4
105.06997	3.0
107.04935	2.1
115.05421	4.7
117.07012	3.2
119.04910	5.1
121.06493	2.8
122.03637	5.9
129.05490	7.2
129.06992	7.3
131.04909	4.6
131.08566	1.6
133.06474	1.9
135.08047	3.6
137.05971	100.0
141.06963	1.7
143.04912	4.2
143.08508	3.3
145.06470	3.7
147.04399	3.2
149.05885	2.3
151.03893	3.6
151.07533	37.6
153.07008	1.6
155.08505	2.2
157.06488	4.1
160.05205	3.5
161.05968	6.8
163.07581	8.8
163.08746	1.7
165.06981	1.9
165.09103	1.6
167.08478	1.8
169.06609	1.4
171.07994	7.1
174.06830	1.9
175.07535	27.0
177.05515	8.8
177.09058	7.1
179.07104	2.6
183.08038	4.0
186.06639	1.8
187.07500	4.0
189.09094	13.3
191.07028	3.8
191.08600	1.7
195.08080	4.1
195.10164	14.2
199.07558	4.1
201.09111	3.6
202.07846	1.5
203.06975	4.9
203.10721	4.1
209.08076	2.6
211.07487	2.7
215.07001	2.0
217.08591	5.4
219.08102	3.5
219.10143	5.7
221.11691	1.7
223.07552	2.5
225.09102	2.7
227.10638	6.9
231.10092	4.9
233.11862	2.2
235.09459	1.6
248.12904	2.4
249.11226	3.2
251.06969	1.7
253.08640	3.5
255.10184	5.9
257.09586	1.8
261.11246	3.5
262.09903	1.7
265.08585	1.8
270.08899	1.7
273.08911	1.7
277.08771	2.4
285.11246	3.8
287.12881	8.8
289.08780	1.7
291.10129	2.9
297.11246	2.3
299.12744	2.0
303.09979	2.0
305.11658	4.7
309.11011	4.0
311.12766	6.2
313.14334	6.8
317.11646	3.5
321.11133	3.4
323.12744	6.2
331.15286	5.9
335.12769	5.6
337.14365	4.8
341.14041	1.6
343.15524	7.2
349.14255	4.3
351.12442	2.3
355.15265	6.2
357.17310	3.1
367.15460	15.6
385.16254	2.5
423.18320	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	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03941	0.9
55.01873	0.3
55.05507	7.4
57.03434	6.9
57.07064	0.5
62.06094	0.4
65.03935	1.3
67.05497	28.7
68.05833	0.2
69.03444	0.3
69.07061	6.9
69.31161	1.9
71.04989	0.8
77.03875	0.2
79.05110	0.3
79.05483	15.5
81.07047	24.8
83.04979	0.9
83.08611	2.9
84.32043	0.2
85.06565	0.5
91.05470	7.5
93.07032	16.5
94.07346	0.2
95.04973	1.9
95.08595	19.8
95.89261	0.2
97.06514	1.0
97.10162	1.0
98.06071	0.4
98.98469	0.4
99.08086	0.3
105.04491	0.3
105.07018	4.5
107.08576	7.4
107.09280	0.4
108.32280	0.2
109.06519	0.7
109.10142	6.8
111.08086	0.4
115.00671	0.2
117.07016	1.3
119.08569	3.5
121.10133	5.4
123.08088	0.6
123.11694	2.0
124.01595	0.6
125.09686	0.2
131.08551	1.9
133.10124	2.3
135.11674	2.5
137.09625	0.3
137.13347	0.5
139.11156	0.2
145.10109	1.2
147.11606	1.1
149.13220	1.4
149.44310	0.2
151.14789	0.3
159.11696	0.8
161.13235	0.7
163.14816	0.4
173.13258	0.9
175.14835	0.3
177.16371	0.3
187.14854	0.4
198.05319	0.5
216.06352	0.7
243.21082	0.3
261.22211	0.8
304.26257	2.7
335.25757	100.0
336.26080	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63214	0.3
52.69851	0.3
53.03923	0.4
55.05505	1.4
57.07057	0.7
57.55054	0.3
65.03907	0.3
67.05502	5.7
69.03423	0.3
69.07068	1.9
70.79241	0.3
70.79582	0.7
71.04964	0.4
79.05492	1.8
81.03403	0.9
81.07047	6.4
81.84157	0.2
83.04967	0.9
83.08616	1.3
91.05473	1.4
93.07051	1.8
95.04961	0.8
95.08039	0.5
95.08600	6.3
97.06572	0.4
97.10159	0.7
98.20776	0.3
98.97590	0.3
99.08118	0.4
100.11258	0.3
101.06018	0.4
105.07002	1.1
107.04947	0.7
107.08571	1.7
109.02907	0.4
109.06493	0.4
109.10150	6.4
111.04483	0.4
111.11715	0.6
113.09652	0.3
117.06976	0.5
119.08576	2.7
121.06490	0.5
121.10110	1.4
122.07272	1.5
123.08015	0.4
123.11686	1.3
129.09119	0.3
133.10097	0.6
135.08037	0.6
135.11690	1.0
137.09602	12.0
137.13239	0.5
145.10098	0.4
147.11760	0.6
149.05954	0.3
149.09610	2.7
149.13264	0.7
151.07506	0.5
151.14796	0.6
159.11687	0.4
163.07591	0.3
163.11151	1.1
163.14787	0.5
165.09100	100.0
166.09409	0.8
175.11179	0.3
177.09067	1.4
177.12601	0.3
179.10698	0.8
183.17348	0.3
187.11235	0.5
188.58829	0.3
189.08971	0.4
189.12680	0.4
190.09904	0.7
191.10660	0.5
193.12173	0.4
194.37874	0.3
195.28568	0.3
203.10635	0.6
205.12210	6.3
218.22153	0.2
227.12700	0.7
231.13916	0.3
259.24185	0.3
277.25089	0.4
323.25720	1.2
389.15659	0.4
394.30438	0.3
411.32846	0.5
429.33505	0.9
439.32120	0.5
457.26266	0.3
475.22903	1.5
475.33841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01856	6.3
55.05505	12.5
56.96546	2.2
57.03419	3.1
57.07063	2.8
65.03925	2.4
67.05499	24.2
69.03411	4.2
69.07058	11.0
69.40205	3.8
69.40617	12.4
71.04991	4.6
73.02906	2.2
76.85461	1.7
79.05485	37.3
81.03409	74.8
81.07043	33.7
83.04980	6.6
83.08605	20.4
85.02902	2.2
85.06536	3.7
91.05478	27.1
93.07039	41.3
95.04962	27.4
95.08595	40.6
97.02886	7.5
97.06516	6.5
97.10120	1.9
99.04434	5.0
99.08035	1.8
103.05489	1.9
103.78600	1.9
105.07015	21.2
107.04947	14.6
107.08581	29.2
109.02866	4.7
109.06486	3.9
109.10136	6.7
110.07182	1.9
111.04441	4.1
111.08091	6.7
115.05454	2.6
117.07021	7.2
119.08572	19.1
121.06497	9.1
121.10113	15.2
123.08073	2.7
125.05955	4.1
125.09540	2.0
129.07005	7.3
130.07767	3.0
131.08560	6.8
133.06496	3.4
133.10132	7.1
135.08057	4.8
135.11668	43.7
137.05981	2.5
137.09676	1.7
139.07532	3.3
142.07803	2.2
143.08569	4.2
145.06430	2.1
145.10106	27.1
147.07968	2.9
147.11664	6.2
149.09628	5.2
149.13144	1.7
151.07518	3.5
153.12735	2.0
157.10143	5.9
163.11153	50.8
164.98267	1.6
165.09102	5.6
165.12779	2.3
167.07072	2.8
175.11208	6.9
181.12234	14.2
193.12216	24.7
209.10014	2.0
209.11815	3.6
227.12749	100.0
249.14812	3.6
383.22183	4.1
457.33298	2.5
475.26688	64.7
475.33517	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	475.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01866	2.4
55.05505	11.4
57.03433	22.9
57.07072	43.5
57.48700	1.4
60.27699	1.5
61.02919	52.9
67.05499	18.6
69.03417	29.5
69.07066	10.2
69.41602	1.6
70.77860	3.1
70.78244	3.9
71.01345	3.0
71.04990	3.0
71.08227	2.2
71.08620	40.0
73.02906	23.2
75.04480	2.6
77.91103	1.6
79.05463	3.8
81.03410	16.8
81.07043	20.7
83.04985	2.4
83.08617	14.1
85.02899	54.3
85.10174	20.0
87.04446	3.6
89.06039	2.3
91.03942	30.5
93.07006	3.2
95.08597	31.3
97.02882	53.9
97.10160	8.7
99.04427	11.7
99.11708	1.7
101.02361	12.6
103.03922	5.9
107.08594	2.4
109.02869	13.3
109.06490	2.1
109.10143	13.9
111.11703	3.0
115.03937	4.5
117.05496	2.5
123.11705	6.7
127.03897	20.3
129.05472	4.2
135.11646	2.2
137.13243	4.4
145.04930	9.6
149.02359	2.0
151.14784	2.7
183.06569	4.3
201.07555	2.7
221.22545	2.6
239.23651	30.5
257.24747	4.4
313.27335	100.0
341.26685	3.5
457.31412	5.2
475.32635	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	475.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.43250	0.5
55.01865	0.7
55.05503	3.4
56.96547	1.4
57.03440	0.7
57.07059	0.6
61.72287	0.5
62.61314	0.6
67.05497	7.2
68.52238	0.6
69.03438	0.9
69.07069	3.3
70.28400	2.9
71.04990	0.7
79.05489	3.9
81.03419	2.2
81.07056	10.7
83.04957	1.7
83.08610	1.8
85.02911	1.4
85.06512	0.6
87.26896	0.6
91.05495	3.3
93.07037	3.5
95.04970	2.3
95.08604	7.7
97.01094	1.0
97.02854	1.1
97.10166	1.7
98.97604	0.8
105.07011	3.2
106.49339	0.6
107.04941	1.8
107.08572	3.6
109.02867	1.6
109.06508	1.1
109.10153	8.4
110.07114	0.8
111.11784	0.6
117.07045	0.9
119.08549	4.8
121.02875	0.8
121.06513	1.7
121.10120	2.2
122.07285	2.0
123.08032	0.9
123.11700	2.1
125.09608	0.8
129.07013	0.9
131.08565	1.0
133.06502	0.8
133.10120	1.8
135.08032	1.6
135.11668	1.3
137.05937	1.2
137.08636	1.1
137.09616	11.8
139.07494	1.0
145.10095	1.3
147.04442	1.2
147.11658	1.9
149.05922	0.8
149.09627	3.0
149.13199	1.2
151.14809	1.0
153.01820	1.5
157.10098	1.1
159.07983	1.3
159.11719	1.0
161.09625	0.6
163.11093	1.2
163.78534	0.6
165.09106	100.0
166.09380	1.2
167.07051	0.7
171.11639	0.6
173.09573	1.3
177.09166	1.6
177.12743	0.6
179.10722	1.3
185.13211	0.7
189.09004	1.0
190.09895	0.7
191.10577	0.7
195.11638	0.6
203.10645	1.2
205.12230	7.5
323.25800	1.0
383.22165	2.3
401.22964	0.8
429.33975	1.3
457.25925	1.4
475.26764	4.6
475.33847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81252	2.3
53.03932	3.9
55.01861	4.6
55.05504	13.5
56.96551	3.9
57.03421	3.1
57.07062	6.2
59.04985	2.5
65.03946	4.3
67.05492	32.3
69.03413	8.4
69.07058	15.8
71.04977	8.4
79.05473	24.9
81.03407	3.8
81.07046	100.0
83.04948	7.4
83.08588	13.5
83.94539	2.5
85.02900	7.3
85.06525	5.7
85.47340	2.9
86.97218	2.6
91.05457	19.8
93.07030	50.1
95.04961	12.1
95.08591	44.5
97.02870	6.3
97.06523	6.9
97.10152	3.3
98.97610	3.1
99.04432	5.2
105.07020	34.1
107.08583	49.2
109.06496	27.3
109.10136	46.4
111.08065	7.7
113.06028	3.4
113.09632	4.6
116.98580	4.1
117.07010	4.9
119.04955	4.6
119.08576	22.1
121.06533	13.3
121.10133	24.1
123.08069	14.1
123.11705	31.1
125.05978	9.6
125.09607	4.2
127.07530	14.7
131.08528	10.6
133.06372	3.7
133.10115	43.1
135.08025	8.1
135.11664	11.9
137.05971	37.6
137.09593	9.8
137.13203	3.5
139.07524	48.0
139.11166	4.7
143.08536	6.1
145.06450	3.2
145.10126	10.9
147.08064	5.9
147.11656	15.7
149.05948	28.9
149.09561	13.6
149.13229	6.6
151.07567	15.5
151.11160	96.6
157.10065	4.7
159.08052	3.7
159.11664	7.3
161.09589	42.2
161.13252	8.4
163.07526	7.2
163.11131	6.0
163.14763	6.2
165.05453	22.7
165.09113	19.0
165.12726	11.2
167.07016	64.3
167.08420	5.3
171.11710	2.8
173.09633	4.7
173.13191	8.7
175.07544	5.3
175.14830	4.1
177.09079	33.7
177.12703	2.7
177.16368	7.1
178.25899	2.3
179.07030	12.2
179.10632	52.9
181.08559	4.8
187.11194	7.4
189.09050	4.5
189.16409	5.1
191.07007	10.3
191.10661	5.6
193.08578	5.2
195.10091	11.0
195.11681	3.2
201.09064	3.3
201.16440	3.8
203.17949	10.4
205.12221	8.1
211.14705	3.1
215.10660	3.3
219.10051	8.6
229.12093	4.1
237.11224	31.2
243.17360	3.1
247.16943	10.9
257.15405	7.3
261.18561	2.9
271.16943	11.1
273.15259	5.2
275.16290	14.4
276.20380	6.2
281.15430	3.5
289.17947	9.4
293.21042	4.4
294.21402	10.4
299.16333	42.1
307.18878	4.5
317.17450	57.9
335.18506	11.1
354.14932	3.0
455.31393	20.2
473.25150	10.2
473.32587	81.0
474.32770	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	474.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
56.05017	0.3
56.96544	0.4
68.85251	0.2
70.06548	0.3
81.03407	0.7
81.88495	0.3
95.06065	0.4
98.20703	0.5
104.04954	0.8
105.03394	0.4
105.05769	0.6
106.06516	0.5
108.34306	0.3
109.02876	1.5
111.05566	3.3
120.04445	2.6
123.05519	0.7
125.05836	0.5
126.06646	1.4
127.03863	0.5
132.04449	23.5
133.04926	0.3
134.06000	5.6
137.04694	2.0
144.36569	0.3
151.06143	9.2
152.04514	0.5
174.07884	0.5
177.04031	0.4
194.06726	4.8
195.07510	0.8
200.30447	0.3
202.09721	2.1
206.06859	0.3
208.08086	0.4
214.09695	0.6
216.11322	0.6
217.01221	0.3
219.02808	0.3
227.09207	0.3
230.09172	1.3
232.10732	0.4
242.09216	4.5
252.08649	0.4
255.08659	0.5
257.10327	5.5
258.08707	0.6
259.11893	9.9
274.13046	0.4
277.03339	0.3
277.72620	0.3
280.08496	0.3
284.11423	2.9
302.12454	17.2
303.01346	1.2
303.12808	0.5
312.16864	0.3
327.11890	3.6
345.13052	100.0
346.13330	3.4
452.54605	0.3
456.16293	0.8
474.11383	0.4
474.17310	8.9
475.18192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05501	11.8
56.96557	5.9
57.07064	2.3
57.23447	1.9
59.04990	5.3
67.05491	9.1
69.03421	9.2
69.07052	8.6
71.17664	3.3
79.05488	7.1
81.03423	2.8
81.07040	20.2
83.04964	19.3
83.08598	5.6
84.95992	2.0
85.02901	9.9
85.06514	2.6
91.05464	7.6
93.07039	9.3
95.04938	4.6
95.08581	11.5
97.02873	4.0
97.06563	2.7
99.04441	4.3
101.05974	4.5
105.07009	11.9
107.04962	4.4
107.08579	26.5
109.02909	2.7
109.06519	8.7
109.10145	11.9
111.08080	5.5
116.98671	2.3
117.07015	3.4
119.08546	9.9
120.08143	2.4
121.06456	3.0
121.10111	14.2
122.07267	7.2
123.08067	4.0
123.11710	7.2
127.03900	6.5
133.10112	100.0
135.08023	9.8
135.11667	4.9
137.06003	2.1
137.09599	61.2
145.04974	2.2
145.10098	2.4
147.04401	2.9
147.11682	7.7
149.09596	3.3
149.13258	10.5
153.01816	7.1
159.11597	2.5
161.13339	2.7
163.14784	3.3
165.09131	8.9
171.11870	2.3
173.13252	8.4
175.14851	2.8
191.14276	56.2
197.71045	1.9
199.14902	3.8
205.12262	3.4
209.15437	4.3
229.07368	2.4
237.02754	2.3
245.10132	3.8
259.13669	2.7
291.26685	4.4
309.27679	3.9
314.98126	2.2
411.16809	6.0
471.25336	13.7
471.31595	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	474.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03928	1.9
55.01868	1.7
55.05510	8.0
57.03429	8.0
57.07053	1.4
67.05169	1.4
67.05499	18.6
69.07055	8.1
71.04989	1.2
71.17057	1.8
71.17391	1.3
79.05477	28.3
81.03408	1.4
81.07043	16.3
83.04979	2.0
83.08603	2.3
84.18877	1.1
85.06544	2.1
91.05472	23.9
93.06462	1.9
93.07033	27.8
95.04972	3.3
95.08593	12.4
97.06508	1.3
105.07022	20.5
107.08582	12.8
109.06512	2.3
109.10126	3.7
117.06996	3.9
119.08563	16.1
121.10114	9.0
129.05525	1.2
129.07036	2.1
131.08530	6.8
133.10107	8.9
133.91650	1.1
134.10373	1.1
135.11700	5.5
140.99478	1.1
143.08493	2.2
144.70166	1.1
145.10120	5.4
147.11661	7.3
149.13223	2.5
157.10138	2.6
159.11700	3.8
161.13226	4.7
171.11661	2.0
173.13211	1.7
175.14847	2.3
181.63766	1.1
199.14815	1.7
241.19495	3.5
259.20566	4.9
276.61902	1.2
277.21640	1.3
315.23105	2.7
333.24197	100.0
334.24701	3.2
336.79721	1.2
468.95663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89993	16.3
67.05504	20.7
69.07057	35.8
70.65981	19.7
71.59776	18.0
79.05461	25.6
81.07074	26.0
85.06842	17.7
87.04440	18.1
91.05470	27.4
92.99239	15.3
93.07025	23.5
96.09438	16.6
105.07019	18.8
121.10134	23.3
152.06139	17.0
275.20059	100.0
293.21216	74.4
342.85312	18.9
343.25992	18.8
349.01651	19.1
362.46997	18.3
472.32880	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	471.2201
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05487	0.5
56.96556	0.5
57.03385	0.2
57.05098	0.2
59.68430	0.2
67.05481	0.4
69.03419	0.3
69.07053	0.6
69.44049	1.7
79.05483	0.3
81.07047	0.8
83.04963	0.4
83.08587	0.2
85.02897	0.6
86.09686	0.2
91.05476	0.2
93.07034	0.3
95.04929	0.2
95.08604	0.5
98.97569	0.3
105.07018	0.3
106.70351	0.2
107.08588	0.3
109.02884	0.2
109.06503	0.2
109.10152	0.5
111.08078	0.2
112.82981	0.2
119.08579	0.4
121.10164	0.5
123.11706	0.2
133.03438	0.3
133.10153	0.4
135.11627	0.2
137.09630	0.3
145.04843	0.2
163.14781	0.2
165.09073	0.6
177.05583	0.2
185.04149	0.2
199.72406	0.2
203.05258	0.7
209.08513	0.2
215.11299	0.2
233.12170	0.2
237.55496	0.2
253.12846	0.3
259.07913	0.7
267.12634	0.3
271.13815	0.5
276.56180	0.2
291.26755	0.5
295.13815	0.3
309.16837	1.4
309.27817	0.3
411.16861	0.7
430.05121	0.2
471.21970	100.0
472.22369	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2199
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
52.65156	0.3
55.05508	1.2
56.96560	0.3
67.05495	0.7
69.03403	0.4
69.07061	0.6
69.22076	0.3
71.05009	0.3
71.59673	0.5
71.97352	0.3
75.02174	0.2
79.05488	0.7
81.07036	1.4
83.04975	0.9
85.02895	0.8
91.05460	0.6
93.07021	0.9
95.08604	1.1
97.06535	0.3
102.20414	0.3
105.07059	0.7
107.08575	0.8
109.10160	0.8
111.86015	0.3
119.04919	0.4
119.08608	0.7
121.10143	0.7
123.08060	0.4
123.11732	0.6
131.08585	0.5
133.10141	0.6
137.05966	0.4
137.09561	0.4
137.13199	0.5
138.63524	0.3
147.04482	0.4
157.10196	0.3
158.99701	0.3
206.16563	0.3
217.19206	0.3
242.84750	0.4
275.51788	0.3
291.26923	0.7
292.19427	0.3
295.13986	0.5
309.16739	1.6
309.27747	1.4
388.23032	0.3
471.21954	100.0
472.22491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	5.4
57.03417	3.9
57.07060	16.0
61.02912	3.7
67.05479	4.3
68.28934	2.7
69.03406	3.8
69.07050	7.6
71.08626	37.9
71.59237	2.7
71.59714	4.5
73.02908	4.2
73.06542	5.6
76.98469	2.8
79.05466	4.3
81.07018	7.1
83.08630	3.0
84.18178	3.3
85.02899	3.6
85.10181	22.5
89.06020	100.0
91.05482	6.4
93.07040	5.1
95.08598	5.3
97.02906	3.6
98.98466	5.4
99.04491	2.6
107.07068	6.6
109.10143	3.8
119.08602	4.7
127.14815	4.3
128.67836	2.8
130.08554	3.7
133.08580	52.2
133.10123	4.4
155.01012	4.0
159.62517	2.9
171.17418	7.1
172.95236	11.8
174.54753	2.5
177.11168	15.9
190.96310	11.5
215.20023	7.1
228.97781	6.3
231.84435	3.0
259.22815	6.7
283.17679	4.2
301.69943	2.9
317.17795	7.1
327.20041	8.9
335.18814	4.3
345.27499	2.9
453.17047	7.9
453.34149	12.5
470.23544	3.4
471.18176	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	471.1817
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
56.96296	1.3
56.96556	14.9
62.69589	0.5
71.95246	1.3
74.97585	1.4
81.07029	1.0
84.96011	0.8
92.98607	0.8
93.40533	0.7
100.40562	0.6
102.92574	2.8
107.08533	0.8
107.17918	0.6
115.97795	0.8
116.98598	0.7
118.92077	1.2
121.10052	0.6
128.98564	2.1
131.00140	0.7
133.43987	0.7
136.93082	6.6
137.02702	1.0
141.02184	0.7
146.99628	5.0
149.01175	0.9
154.94148	26.8
155.03793	0.7
161.01164	1.5
165.00697	1.2
172.95216	100.0
177.95757	2.1
189.04381	1.0
190.96262	74.8
192.95810	1.3
195.96802	9.3
198.96767	0.9
203.05846	1.2
208.97298	1.9
210.96779	10.1
212.98322	2.0
213.97835	5.9
216.97829	1.2
228.97827	34.6
230.99411	1.7
233.98314	1.6
245.10631	0.9
246.98912	6.3
251.99455	3.2
258.05966	0.5
261.74332	0.6
279.12576	1.6
315.16180	1.3
317.17847	54.9
318.18320	1.3
333.17389	2.8
335.18884	29.0
336.19174	0.9
353.19946	0.9
355.18939	0.9
358.20416	8.7
359.20816	0.6
373.20566	1.5
397.14496	4.6
411.16223	1.7
453.17099	41.4
454.17422	1.0
471.18198	94.9
472.18307	3.0
494.19727	13.5
495.20163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	6.3
70.03513	1.2
70.03919	2.0
71.04957	0.8
79.05478	0.9
85.02917	0.7
86.09674	0.7
91.05462	2.1
93.99869	0.6
94.04174	2.6
95.04944	1.5
98.20792	0.9
103.05458	0.6
103.58632	0.6
105.07005	1.0
107.04953	0.8
107.85696	0.5
109.06512	2.1
111.04423	9.4
115.05425	0.7
117.06999	1.0
119.04970	1.4
119.23946	0.6
122.03635	4.7
129.07011	0.7
131.04965	1.4
131.08539	0.8
133.06500	1.1
137.05956	100.0
138.06297	1.0
145.06474	1.6
146.03632	0.8
147.04417	1.0
151.07564	5.3
157.06465	0.6
160.05183	0.8
161.05908	3.6
163.07515	1.8
165.07005	1.0
167.06961	0.6
171.04239	0.6
175.07520	32.7
177.05409	1.5
177.09084	1.3
179.07042	1.0
179.08578	0.8
187.07529	2.4
189.09076	2.4
191.07076	0.7
191.08582	0.6
195.10146	1.1
198.15181	0.6
199.07527	1.6
201.09093	9.3
203.08572	0.6
205.08536	3.7
207.08221	0.8
207.10164	2.1
213.09145	1.1
217.08496	1.1
218.07312	0.9
219.08066	1.8
219.10088	13.4
225.09091	0.9
231.10129	3.6
233.09567	1.4
235.07523	1.5
236.08275	1.1
237.09045	1.1
238.06163	0.6
239.10611	1.3
243.10149	1.0
247.07335	1.3
249.09116	0.8
251.07175	0.7
251.10573	1.5
253.08597	2.4
263.06750	0.8
264.07889	0.7
265.08612	0.9
265.12170	1.1
267.10138	0.9
277.08716	0.7
279.10010	4.6
280.07126	0.6
281.08109	0.7
281.11740	0.7
283.09641	1.2
290.09238	0.7
292.11703	0.8
293.11499	2.6
294.12173	0.6
296.10159	0.9
297.11176	3.6
299.12775	7.5
305.11685	1.0
309.11188	1.2
309.14349	1.3
310.11804	0.9
311.12720	5.6
322.11807	0.6
325.14285	4.8
327.12363	1.1
329.13757	8.1
335.12799	0.9
337.14264	1.9
339.05225	0.6
343.15100	1.0
353.13791	0.9
355.15375	5.2
365.31421	0.7
395.14548	0.6
423.17545	0.6
435.17639	0.9
453.19336	1.3
471.20258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	3.3
71.48495	2.0
75.48483	1.4
77.00888	9.3
79.05460	1.6
81.07037	3.3
83.08626	2.0
87.97919	2.0
91.05441	2.3
95.01942	5.9
105.07031	2.4
107.08575	2.5
109.10146	1.8
125.41004	1.7
133.10115	1.9
146.99533	3.0
161.01303	2.3
172.05927	1.6
173.01167	2.4
173.06627	2.2
175.18214	1.8
185.01237	1.6
185.06583	2.3
187.08141	2.4
201.04283	4.7
201.09705	1.9
213.09871	1.9
215.11263	3.2
221.10178	1.9
223.11838	7.9
225.09778	3.2
227.11279	3.4
239.11308	4.9
241.12807	13.5
243.14442	10.5
245.10143	2.2
247.11708	1.8
250.08871	1.7
251.11301	3.3
259.13846	4.2
261.15454	4.0
263.11307	4.6
265.12741	3.8
267.09067	1.7
269.12564	1.8
279.08923	6.4
280.09641	3.6
283.13940	2.1
297.10028	30.6
298.10626	3.0
299.11530	8.5
305.10532	5.9
311.11667	1.8
313.16449	3.4
315.10995	3.5
315.17902	2.2
320.11591	2.8
323.11554	5.3
331.17566	5.4
333.18863	2.1
347.15210	19.5
349.16470	8.6
365.16284	100.0
366.16495	3.6
367.17841	29.7
383.17407	3.7
388.17874	14.5
390.19397	5.3
447.13617	16.2
470.15167	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	467.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.5
57.03421	1.7
57.07068	37.4
59.04983	4.9
60.60096	1.3
61.60005	1.3
62.20714	1.2
65.03921	2.3
67.05495	100.0
69.07054	10.1
70.02027	4.7
70.02443	2.9
71.04957	3.2
71.08623	27.8
73.16543	1.3
79.05466	3.1
81.06575	2.0
81.07044	31.1
83.08613	15.0
85.06525	3.4
85.10175	14.1
91.05444	6.8
93.07025	4.0
95.08043	2.4
95.08599	29.1
97.10181	6.8
98.20863	1.7
107.08584	2.0
109.10141	85.3
110.10471	2.0
111.08096	3.1
119.08566	4.8
123.11684	4.6
137.09647	2.1
137.13206	1.3
151.14822	1.5
155.10641	3.4
172.97038	1.3
173.11723	26.1
179.10146	1.3
221.22592	2.4
239.23703	10.9
351.55380	1.4
467.37289	76.1
468.37805	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	468.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93431	0.8
68.23700	0.8
71.59772	1.8
79.01815	1.0
79.05485	2.8
81.03426	1.3
85.02885	1.1
97.02881	1.5
103.05464	1.9
105.07025	100.0
106.07355	1.6
109.02886	1.2
122.09662	56.3
143.03386	2.1
153.01830	18.3
154.02153	8.4
163.03958	1.3
191.03499	1.1
257.00723	1.2
271.16873	0.8
275.01953	1.2
303.01382	4.7
319.66031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.3
57.03402	2.5
60.08157	22.2
62.06036	2.3
67.05486	6.5
69.03404	5.9
69.07037	6.3
69.34014	7.3
69.34431	14.7
71.04980	5.4
71.07351	4.8
79.05478	10.0
81.03401	4.9
81.07048	21.1
83.04961	8.4
83.08613	3.0
83.39060	2.3
85.02879	6.1
85.06519	3.0
86.09694	57.0
91.05452	9.4
93.07033	25.6
95.04941	8.1
95.08588	22.4
97.02811	3.0
97.06515	15.4
98.21512	4.2
98.98440	4.1
99.04433	11.9
100.11206	2.8
104.10729	100.0
105.07018	12.7
107.08571	12.9
109.06511	16.9
109.10109	3.7
111.08055	11.0
111.70560	2.3
113.05952	2.5
119.04886	3.2
119.08555	7.4
121.06501	40.1
121.10043	3.6
123.04428	5.3
123.11655	6.8
124.99988	31.5
125.05960	8.2
127.07555	3.6
131.08527	3.0
133.10114	12.3
135.08064	5.3
139.07574	11.3
143.07014	6.8
145.02835	5.9
145.10085	3.7
147.04416	5.4
147.07980	4.8
147.11667	26.6
151.11200	4.0
157.08571	8.2
157.10085	9.4
159.06551	9.3
161.13242	5.4
165.12700	10.4
166.07706	2.9
169.12204	7.3
171.11673	7.1
175.11159	19.8
177.05437	9.9
181.09959	3.0
184.07329	98.0
184.08971	4.9
189.12746	12.7
193.12233	18.2
196.00789	2.2
199.11165	17.6
207.13770	9.6
211.13318	15.1
217.12215	51.7
225.14825	2.7
229.14333	9.0
234.11234	6.2
235.13271	78.0
253.14320	94.6
258.03134	2.2
268.17038	2.1
271.15338	16.9
289.16293	11.9
303.05112	4.4
304.05176	10.9
305.05423	8.9
306.05713	13.2
315.72482	2.1
335.47458	2.2
428.49896	2.4
450.22235	5.4
468.09763	2.9
468.23691	35.2
469.03845	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	467.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.2
51.02370	0.5
53.63718	0.1
69.03424	1.0
70.75364	0.5
79.01843	3.8
81.03407	1.0
87.34846	0.2
97.02877	3.6
98.20917	0.2
103.75056	0.1
107.01296	1.1
109.02873	0.6
125.02337	2.9
127.03885	1.7
143.02448	0.1
143.03377	5.9
153.01810	100.0
154.02107	0.5
161.80232	0.1
163.03925	0.2
171.02867	1.2
179.03261	0.2
188.65616	0.2
191.03380	0.2
195.02800	0.2
249.03915	0.8
277.03354	0.3
297.06033	0.6
303.01376	0.3
305.02078	0.2
467.08179	0.2
467.18677	0.6
473.79059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
52.09619	0.4
57.55149	0.4
58.20841	0.5
61.25335	0.4
69.03423	3.1
70.49802	1.1
70.50198	1.2
79.01836	5.2
81.03417	2.3
84.04463	0.6
97.02274	0.9
97.02872	12.1
99.04430	0.8
102.05515	0.7
107.01308	1.1
109.02863	2.9
111.10429	0.5
111.78878	0.5
116.98539	0.5
120.07493	0.4
120.08105	4.2
125.02318	3.3
127.03892	3.5
143.03366	7.9
145.04893	0.5
153.01802	100.0
154.02139	2.4
161.02260	0.5
163.03937	0.7
171.02885	0.9
173.34807	0.5
177.00656	0.6
185.04172	2.0
189.01744	1.0
191.03389	1.2
201.08694	0.7
205.04803	0.5
217.01266	3.3
219.02820	0.7
235.02286	1.6
237.03738	0.5
247.02414	0.7
263.01828	0.8
273.00107	1.0
277.03345	1.1
279.04279	0.7
287.12506	8.3
291.01352	1.9
297.06113	0.5
303.01398	1.3
304.48163	0.5
305.13528	63.9
306.13855	0.9
309.02432	0.5
323.03885	2.1
331.70145	0.5
441.90897	0.5
449.06931	0.7
449.16461	1.0
467.18826	90.2
468.19128	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.5
57.03434	12.2
57.07073	38.9
67.05173	1.5
67.05502	23.2
69.07056	8.1
70.75866	1.0
70.78481	1.9
71.08621	24.1
79.05484	1.3
81.07053	17.3
83.08614	10.2
85.06495	1.3
85.10175	14.2
89.06000	1.9
91.05450	2.6
93.07006	1.5
95.08605	19.5
96.97924	1.2
97.10161	5.0
98.98460	52.6
109.10147	17.4
111.11685	1.5
116.99520	2.6
123.11674	4.3
133.10112	2.7
136.99977	3.7
137.13260	1.5
155.01030	51.2
173.11717	4.3
193.02696	1.5
211.03630	1.8
229.04805	2.0
231.04555	1.2
239.23676	5.7
313.27338	100.0
314.27539	2.1
393.23672	2.4
424.65512	1.2
449.26773	11.3
449.33002	1.7
467.37390	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	467.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92867	10.5
59.53960	9.7
67.05490	25.9
69.07057	18.0
69.87638	62.8
75.03851	10.4
76.12843	13.3
79.05479	21.7
81.07040	56.3
91.05431	13.5
93.07035	55.8
95.08598	15.9
105.07008	37.8
107.08576	28.3
109.06505	14.9
109.10095	20.0
119.08560	21.7
121.10109	32.1
123.08045	14.0
123.11674	38.1
126.74928	13.0
133.10043	13.7
134.28726	10.8
135.08047	17.1
135.11717	14.8
147.11783	11.4
149.09634	91.5
153.01836	66.1
167.65540	13.3
170.57530	11.8
175.14822	14.0
206.16537	13.5
213.40926	12.7
269.22806	13.9
287.23715	100.0
390.04095	11.0
392.37875	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	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.3
51.02363	0.7
53.03923	0.5
55.01866	0.4
64.23563	0.2
69.03426	1.4
79.01392	0.3
79.01842	6.1
79.66704	0.2
81.03409	2.2
85.02883	0.5
86.09705	0.2
92.96077	0.2
97.02884	6.4
98.20696	0.4
99.04422	0.5
102.05518	0.3
107.01284	1.3
109.02877	1.9
120.08096	1.9
123.00793	0.3
125.02350	4.3
127.03909	2.0
135.04387	0.2
143.03378	8.8
143.04495	0.4
147.04381	0.5
153.01813	100.0
153.02821	3.7
154.02133	1.0
155.47749	0.2
171.02882	1.5
191.03416	0.5
217.01311	0.7
217.49329	0.2
219.02901	0.3
221.04240	0.2
224.69543	0.2
235.02400	0.5
237.04103	0.3
249.04039	0.3
271.55661	0.3
277.03253	0.3
278.03680	0.3
279.04526	0.3
284.47806	0.2
287.12625	0.8
291.01379	0.4
297.05902	1.5
303.01343	0.7
305.02686	0.6
305.13605	5.9
323.03949	0.5
467.08737	0.4
467.18896	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	467.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.3
51.02372	0.6
53.03933	0.2
55.01853	0.3
56.96555	0.2
60.56942	0.1
69.03421	3.4
69.92098	0.7
70.06572	0.2
71.01321	0.2
79.01839	5.6
81.03404	0.9
85.02901	0.2
97.02880	5.1
97.03513	0.3
98.21471	0.3
98.97565	0.5
99.04428	0.2
102.05479	0.1
107.01312	1.4
109.02858	1.1
116.98611	0.5
120.08141	0.2
125.02328	3.6
127.03896	5.2
133.24200	0.1
134.99675	0.2
143.03378	8.2
145.02922	0.2
147.04407	0.3
153.01807	100.0
153.02776	3.7
154.02191	0.9
158.99619	0.2
163.03862	0.2
167.03255	0.2
171.02914	0.4
172.03900	0.3
177.00714	0.4
185.04150	0.2
189.01770	0.2
189.04315	0.2
191.03407	0.3
195.02916	0.6
213.03947	0.5
217.01326	0.5
218.80528	0.1
222.66904	0.1
235.02477	0.3
237.03899	0.5
261.03955	0.2
273.00055	0.2
277.03580	0.2
278.03564	0.2
279.04935	0.8
291.01422	0.5
297.06015	0.8
303.01501	0.2
304.01758	0.3
305.02274	0.3
305.18625	0.2
309.02328	0.2
369.10339	0.2
407.12323	0.2
449.07126	0.4
467.08524	0.6
467.19138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58411	1.2
55.05508	5.2
56.45372	1.3
56.96550	2.1
57.03426	9.9
61.02926	1.7
67.05502	21.9
68.60617	1.4
69.03428	4.9
69.07065	10.3
71.01354	1.6
71.04995	2.2
71.59405	1.4
71.59766	1.6
73.02905	4.8
74.02316	1.0
79.05486	14.9
81.03425	2.1
81.07050	63.7
83.04979	3.6
83.08614	5.0
85.02901	10.6
86.09682	1.6
87.04443	1.3
91.03952	1.9
91.05448	7.4
93.07039	22.7
93.43848	1.2
95.04974	2.5
95.08602	12.9
97.02898	7.2
97.06510	5.6
105.07009	3.4
107.08588	12.7
109.02884	1.4
109.06518	1.3
109.10154	3.4
111.08065	2.8
115.03913	3.0
116.98633	1.6
117.07002	2.5
121.10110	10.1
127.03925	2.6
131.08560	4.4
133.04907	2.1
133.10132	4.4
135.08131	1.3
135.11710	3.5
137.13255	9.2
145.04951	3.1
149.13246	15.2
153.01813	16.6
159.11711	6.6
163.05946	2.4
175.03949	1.4
177.12669	3.6
193.36618	1.5
195.13782	5.8
207.06482	2.9
227.57591	1.3
258.12961	2.5
269.17456	100.0
270.17737	2.0
271.90707	1.4
280.14316	3.7
280.64609	1.3
319.04105	1.9
333.06174	1.9
334.06458	4.2
401.87921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05504	2.0
55.86855	0.6
56.96548	0.8
57.03433	6.2
57.07076	2.5
58.17922	0.5
59.04992	1.9
60.04520	0.9
61.02926	1.6
67.05511	5.6
69.03429	26.3
69.07075	5.3
69.97891	0.6
70.46164	1.3
70.46523	1.2
71.04995	0.7
73.02917	1.7
75.04479	0.9
79.05492	8.7
81.03415	1.6
81.07056	100.0
82.07386	1.6
83.04960	0.8
83.08642	0.9
84.08126	0.5
85.02904	19.1
85.06536	0.8
86.03299	0.5
87.04465	15.7
91.05469	2.1
93.07048	2.6
95.04980	1.5
95.08606	22.4
97.02890	22.5
97.06509	0.5
98.88777	0.5
98.97572	0.6
99.04483	0.9
105.07053	2.7
107.08581	1.9
109.02880	0.9
109.10142	2.9
111.04485	0.8
111.08074	0.7
111.11724	1.8
115.03930	31.2
116.98679	0.7
117.06989	0.8
119.08575	1.4
121.10158	0.9
123.04443	0.6
123.08041	0.9
123.11694	1.2
127.03908	3.6
130.39880	0.6
131.08585	1.1
133.04965	34.4
133.10155	0.9
135.11702	1.2
137.13255	21.4
143.03442	1.1
145.04958	3.9
147.11671	0.8
148.08865	0.6
150.07599	4.7
151.04114	0.7
153.01813	5.7
153.02756	0.5
155.14285	1.5
157.10118	1.0
160.14616	0.6
161.09550	0.7
169.05000	0.7
174.10416	0.6
177.12802	0.8
188.82112	0.6
191.14304	0.7
207.06642	0.9
241.06989	1.1
259.08331	1.8
277.09372	0.8
295.10266	1.1
319.03983	1.1
329.37711	0.6
334.06570	1.2
423.34766	0.6
467.26367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01867	1.4
55.05500	7.7
57.03429	2.9
57.07061	1.6
61.02920	1.4
65.03926	1.5
67.05500	13.3
69.03427	6.3
69.07058	10.7
70.43815	1.1
71.04977	4.2
71.41869	2.1
72.97284	1.1
73.02898	2.0
79.05483	9.1
81.03395	3.6
81.06575	1.6
81.07048	28.1
83.04961	5.7
83.08606	3.1
85.02894	14.3
91.05471	20.7
91.18130	0.9
93.07036	23.4
95.04957	16.8
95.08598	32.0
97.02876	4.8
97.06502	6.2
99.04450	2.0
99.08066	1.3
105.07018	51.4
105.36073	1.2
107.08578	33.9
109.02887	1.9
109.06501	6.1
109.09451	1.5
109.10144	19.0
111.08067	15.6
117.06992	3.3
117.19023	1.0
119.04925	1.3
119.07777	1.9
119.08564	20.3
121.06490	3.6
121.10129	22.8
123.08047	6.0
123.11678	9.4
125.09583	2.9
127.03931	2.5
129.07057	1.1
131.08553	6.6
133.10114	100.0
135.08011	4.3
135.11699	7.0
137.09601	17.9
137.13228	2.3
138.10411	3.2
139.11162	13.1
143.08545	1.8
145.04958	2.1
145.10091	9.6
147.08034	1.1
147.11664	20.7
149.09605	8.2
149.13243	4.4
151.11185	5.6
153.01849	1.3
153.12724	1.8
157.10086	2.3
159.11691	6.1
161.13216	3.8
163.11159	3.0
163.14842	4.7
165.12700	3.5
171.11612	1.7
173.13235	6.2
175.11208	2.7
175.14798	3.6
177.12761	1.9
177.16296	2.1
183.11679	1.2
185.13245	1.0
187.14931	1.7
189.16403	1.3
191.14293	21.1
193.12341	1.3
193.15804	2.8
197.13242	1.3
201.16362	2.4
205.15950	1.2
209.15327	12.8
211.14757	3.8
211.72736	1.1
229.07449	2.2
229.15865	1.8
247.08542	1.7
257.22513	1.3
258.37729	1.2
267.21201	1.8
285.22089	15.5
297.09552	1.2
303.05054	1.3
303.23151	40.3
318.03659	1.8
333.05960	3.6
333.28442	1.2
359.57623	1.3
367.17831	3.7
465.24521	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39022	1.1
55.01867	13.9
55.05255	2.2
55.05505	27.3
56.53354	1.2
57.03429	12.6
57.07074	9.1
58.29387	1.1
67.05499	10.2
69.07061	32.5
70.19878	1.1
71.04554	1.6
71.04884	2.1
71.08629	6.3
73.02900	8.7
79.05469	7.0
81.07044	11.4
83.04961	2.0
83.08609	24.1
83.13193	1.2
85.10150	1.5
88.15248	1.3
88.15760	1.1
89.17394	1.2
93.07031	6.4
94.19871	1.1
95.04961	1.4
95.08595	7.7
97.06537	3.4
97.10161	16.9
98.98453	60.8
107.08578	4.7
109.10148	2.6
110.15665	1.1
111.08053	1.5
111.11732	3.6
121.10117	6.4
123.11729	1.8
129.05473	2.7
135.11674	4.8
136.99997	4.6
149.13222	2.4
155.01021	47.6
167.35725	1.1
180.07217	1.4
191.34662	1.1
193.02483	1.7
219.21075	2.2
229.04759	3.4
237.22136	10.1
249.68344	1.2
309.19543	1.3
311.25766	100.0
312.26184	2.9
447.24930	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	465.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22991	0.6
52.68133	0.8
55.01622	1.0
55.01869	11.1
55.05507	21.7
57.03436	9.5
57.07071	7.0
67.05497	8.9
69.07063	25.3
71.08630	5.9
71.11279	1.5
73.02917	7.0
79.05481	4.8
81.07050	8.3
83.08134	1.3
83.08612	20.9
85.10183	2.5
91.05485	1.4
93.07034	6.0
95.08607	6.6
97.06523	3.7
97.10159	13.0
98.98461	47.8
99.08073	0.9
107.08583	3.7
109.10138	4.0
111.08080	1.5
111.11721	3.5
116.99467	2.3
121.10136	6.9
123.11653	1.5
123.17644	0.6
129.05475	3.1
135.11703	4.7
136.99983	2.9
137.13278	1.3
145.79176	0.7
149.13281	1.2
150.91052	0.7
155.01030	42.2
177.35095	0.7
193.02612	1.1
211.03625	1.2
219.21037	2.1
229.04716	3.2
237.22128	8.7
255.23170	0.7
289.95340	0.8
303.05075	0.9
306.78436	0.7
311.25781	100.0
312.26169	3.5
447.25064	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	465.1022
Annotation	Annulatin 3'-xyloside
Peak:m/z	Relative Intensity
53.74609	0.1
55.01833	0.2
57.03431	2.2
57.03700	0.3
57.30501	0.1
61.02916	0.6
65.35268	0.1
68.99760	0.2
69.03379	0.4
69.53699	1.0
70.57968	0.1
73.02905	5.0
73.21643	0.1
81.03385	0.1
85.02853	0.4
87.53928	0.1
97.02848	0.2
98.20756	0.2
101.42744	0.1
108.02084	0.3
109.02814	0.6
115.03865	0.3
126.02356	0.1
126.03116	1.1
129.08202	0.1
136.01532	0.2
137.02293	0.4
138.03067	0.2
149.89426	0.1
152.00920	0.2
153.01801	5.3
163.03856	0.1
166.02580	1.1
170.02095	0.2
179.03302	0.2
188.04591	0.4
191.03316	0.1
192.04086	0.1
193.01215	0.4
202.02567	0.2
203.03320	0.2
205.04893	0.4
206.05695	0.4
208.03596	0.4
210.01537	0.1
215.03371	0.1
216.04144	1.2
217.04901	0.3
219.02849	2.3
220.03558	0.5
227.03271	0.2
230.01997	0.5
231.02812	0.2
233.04387	0.5
234.01576	0.2
234.05182	0.7
243.02820	0.5
244.03632	4.0
245.04410	2.3
247.02271	0.3
248.20734	0.1
255.02884	0.2
259.05887	0.2
261.03934	1.4
262.04489	0.2
272.03055	1.6
273.03900	1.7
283.02649	0.1
287.05353	0.5
289.03345	2.0
290.04166	4.6
300.02597	0.3
301.03381	5.2
305.06631	0.2
315.46310	0.1
316.99091	0.3
317.02863	7.3
318.03641	51.9
319.03998	0.5
333.05972	100.0
334.06256	1.7
445.77802	0.1
465.10211	29.4
466.10571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
52.23249	1.5
55.01859	1.8
57.03422	2.9
61.02913	1.9
68.99789	1.7
69.03432	2.3
70.54379	1.2
70.94604	2.8
71.04969	2.3
72.08144	1.2
79.05461	1.3
81.03403	4.3
83.01343	2.7
85.02895	7.7
86.09682	1.3
86.51019	1.2
91.05492	1.6
97.02872	3.2
103.03901	1.1
103.06489	1.1
107.01345	1.2
107.04937	1.8
109.02863	3.8
120.08086	2.1
123.04448	2.2
127.03918	2.0
132.08817	1.3
135.04391	3.7
136.07571	1.6
137.01344	2.5
137.02338	36.7
137.03391	3.0
145.02811	1.8
147.00824	1.2
147.04408	1.8
151.03894	3.5
153.01834	10.7
161.02324	1.9
163.03928	2.8
165.01863	5.1
168.00523	2.1
169.01321	3.1
173.06102	1.2
175.03935	2.0
177.01849	2.4
177.05437	2.9
179.03410	2.4
181.01248	6.8
183.02866	4.2
186.01579	4.8
191.03217	1.3
193.01346	2.8
195.02890	3.2
199.02339	11.1
200.03111	1.9
205.04968	1.4
207.02898	2.4
211.02353	5.2
219.03027	1.2
221.04399	5.9
229.05066	2.5
233.04486	2.3
241.04889	1.5
245.04266	1.4
257.04425	2.2
259.02344	2.0
265.05014	1.2
271.05972	4.9
273.03900	1.4
275.05505	1.8
277.03412	3.9
281.04581	1.4
285.03864	1.1
287.05493	2.8
299.05426	8.2
301.07101	2.0
302.04193	29.8
303.01572	2.0
303.04916	41.2
303.08319	2.1
311.05356	1.9
313.03534	2.7
313.06876	2.5
315.04938	95.9
316.05692	14.2
317.06339	2.7
319.04501	6.9
323.05545	3.9
327.04996	19.3
329.03027	1.9
329.06561	6.9
333.05994	2.1
339.04971	1.7
341.06335	7.0
343.04504	2.1
345.06006	100.0
346.06244	2.9
352.05566	1.4
353.06589	1.4
355.08044	11.7
357.06009	2.9
359.07333	1.6
365.06464	1.8
369.05981	28.8
369.10254	1.9
375.07059	3.7
381.05850	6.7
383.07516	6.0
399.07056	28.0
411.07001	18.8
429.08151	34.3
437.10999	1.4
447.02963	2.3
447.09186	47.2
459.55548	1.2
465.10239	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	465.1021
Annotation	Myricitrin
Peak:m/z	Relative Intensity
52.99004	0.4
53.03942	0.6
55.01871	0.9
56.90562	0.5
57.03427	3.8
59.04978	0.6
61.02909	0.6
68.99789	2.2
69.03429	1.5
70.06576	1.7
71.04985	25.0
73.02888	0.6
75.04462	0.7
81.03397	0.8
83.01330	0.7
83.04961	1.3
85.02894	28.7
86.09698	1.0
86.43405	0.5
87.04457	1.1
95.04964	0.6
97.02877	1.0
98.21461	0.8
99.04473	0.5
108.76508	0.5
109.02855	1.9
109.15730	0.5
111.00791	3.0
111.04395	1.1
112.11220	0.5
116.95770	0.5
121.02863	0.9
122.05986	1.1
127.03919	1.1
129.05464	7.4
133.02821	0.6
135.04344	1.3
136.07552	3.9
137.01340	0.8
137.02325	10.3
145.02786	0.5
147.04419	0.6
147.06526	1.1
151.03850	0.7
153.01811	13.8
153.02980	0.9
153.05286	0.5
161.02348	0.8
161.05908	0.4
163.03772	0.7
164.07042	4.9
165.01808	5.1
166.02588	0.9
167.03435	0.9
171.02957	0.5
175.03842	0.7
177.01804	0.7
177.05498	0.7
179.03362	2.0
181.01306	1.4
182.08171	0.7
183.02882	4.2
187.03870	0.8
189.01787	0.6
189.05408	0.8
191.03363	1.3
195.02875	1.0
199.02367	1.5
199.03990	0.6
201.05365	0.5
203.03398	1.4
207.02867	1.0
217.04950	4.5
219.02982	0.7
221.04362	0.6
227.03348	0.5
231.02885	1.2
241.04953	0.5
244.03630	0.6
245.04414	5.8
255.02817	0.9
257.04535	0.7
269.04233	2.4
270.05151	0.5
271.06049	0.9
273.03867	4.5
273.49203	0.6
277.03348	0.8
285.03986	0.7
290.04175	1.0
297.03857	1.6
299.05475	3.6
301.03400	3.0
301.06717	0.5
302.04169	1.7
303.04892	6.2
313.03369	1.3
313.06985	1.4
315.04929	25.6
316.05637	1.8
317.06546	0.8
319.04437	100.0
320.04770	1.8
326.12466	0.9
327.05035	2.9
329.02841	6.1
329.06448	1.3
331.04364	1.7
339.04895	0.7
341.06543	5.1
343.04337	3.7
345.06024	20.0
353.06302	1.0
355.08185	2.8
361.05453	1.6
365.06381	1.0
369.06021	10.9
370.06500	0.6
373.05365	1.2
381.05945	1.6
383.07547	1.1
393.05920	2.9
399.07059	5.5
411.07114	6.1
429.08099	6.2
447.09201	3.7
465.10135	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	465.1024
Annotation	Delphinidin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.65541	0.2
56.96539	0.2
67.01805	0.6
68.99757	0.4
69.03371	0.7
69.25482	0.6
69.25896	1.4
70.06542	0.3
73.02866	0.3
81.03381	0.4
85.02896	1.2
86.09613	0.2
86.21555	0.1
89.33962	0.2
97.02812	0.3
99.04373	0.2
110.07130	0.2
111.00735	0.2
127.03886	0.2
133.02798	0.3
139.34303	0.2
151.03897	1.3
153.01810	6.0
167.82988	0.2
171.02837	0.8
177.01689	0.2
196.56577	0.2
201.05229	0.3
203.03319	1.0
229.04883	0.8
257.04395	2.0
257.12888	0.3
272.05493	0.2
274.04684	0.3
285.04037	0.8
287.07941	0.4
290.06619	0.2
295.08569	0.2
297.03699	0.2
301.03339	0.4
302.04291	0.4
303.04950	100.0
304.05283	1.3
306.36548	0.2
310.11426	0.2
313.09467	0.5
319.04343	0.2
371.03842	1.1
447.13165	0.3
465.10257	20.0
466.10535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.95469	0.8
57.03437	1.0
60.92147	0.8
61.02919	6.9
69.03415	1.6
69.58749	5.9
69.59139	1.8
71.04987	6.3
73.02893	1.3
83.78143	0.7
85.02892	11.3
91.03960	4.0
97.02872	3.8
98.21456	1.8
99.23192	0.8
104.00159	1.1
109.02859	1.5
111.00750	1.0
121.02855	1.3
127.03905	1.5
128.33165	0.8
129.05502	1.0
137.02328	4.7
152.47920	1.0
153.01817	8.7
163.03865	1.1
165.01834	3.4
180.87177	1.0
183.02962	1.3
201.05353	1.8
203.78664	0.7
229.04948	5.8
257.04416	3.0
273.04047	1.3
274.04785	1.1
303.04959	100.0
304.05243	1.0
319.00778	1.2
319.04462	21.0
361.05682	1.1
369.05615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
53.03929	0.7
54.03955	0.4
55.01869	0.7
57.03426	0.9
57.57272	0.4
61.02919	0.5
65.03946	0.5
68.99777	1.2
69.03423	2.1
70.06569	1.6
71.12896	1.1
73.01418	0.4
73.02901	0.9
81.03413	2.7
84.08141	0.6
85.02913	3.0
86.09683	0.7
91.05470	0.7
93.03423	0.5
97.02879	2.2
99.04439	0.5
105.03360	0.5
107.04949	0.9
109.02879	2.3
111.00796	1.1
112.11229	1.2
119.04900	0.8
121.02857	1.8
123.04453	0.5
127.03871	2.7
133.02838	0.5
137.02309	4.4
137.03291	0.6
141.01810	1.4
145.02831	0.9
147.04372	1.0
149.02345	1.2
151.03874	1.7
153.01814	8.6
159.04295	0.6
163.03894	2.9
165.01825	9.3
166.02473	0.5
167.03384	1.7
173.05994	0.7
175.03931	1.0
177.01848	2.3
177.05452	1.3
179.03433	0.8
181.05006	0.7
183.02873	6.1
183.04366	0.5
187.03937	2.6
191.03395	2.0
195.02769	2.0
196.09846	0.6
201.05458	2.9
203.03482	1.2
205.04962	0.8
213.01845	0.9
215.03383	1.6
229.01306	0.8
229.04955	5.7
231.02840	4.3
233.04346	0.6
239.11823	0.9
241.01349	0.7
243.02606	0.6
247.02629	0.7
247.05875	0.9
253.04980	0.5
257.00650	0.5
257.04425	3.5
259.02377	6.3
261.03867	1.5
267.11301	2.7
271.06143	0.5
274.04688	1.2
276.02444	0.6
277.03400	17.1
278.03906	0.6
285.03836	1.9
285.12308	6.6
287.05496	0.6
299.05481	4.4
302.04050	1.9
303.01468	6.4
303.04932	100.0
303.13217	2.2
304.05338	1.8
311.05502	1.1
313.07062	4.1
315.04944	52.8
316.05573	5.4
319.04379	0.5
321.02328	0.9
327.04898	5.8
327.08582	1.7
329.06519	1.5
333.05679	0.7
337.07031	1.7
339.04822	0.8
340.05780	1.4
341.02951	0.7
341.06506	10.4
343.04382	0.6
345.06003	37.6
346.06265	0.7
353.06494	1.4
355.08096	7.5
363.03278	0.5
365.06458	1.5
369.06024	20.1
370.06198	0.7
381.05991	5.8
383.07776	1.0
393.05930	4.3
399.07089	10.7
411.07095	10.2
429.08124	9.9
447.09204	5.6
465.10507	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	465.066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
54.10009	0.4
56.24235	0.4
57.03420	1.4
61.02922	0.5
61.13398	0.3
69.03081	0.5
69.03429	7.1
69.30404	2.8
69.30815	1.1
70.06568	0.8
71.01322	0.4
71.04962	1.2
72.20790	0.4
73.02911	3.6
81.03414	5.4
85.02895	3.9
86.09696	1.1
87.04459	1.0
91.05463	1.0
91.73125	0.3
96.68093	0.4
97.02874	1.4
97.07635	0.4
98.20769	0.7
99.04435	1.0
101.09476	0.3
103.05445	1.2
109.02866	1.6
119.04911	0.7
127.03918	9.7
129.03371	0.4
131.04910	1.0
145.02809	0.8
145.04959	0.5
147.04375	1.1
153.01799	0.8
157.02817	1.4
163.03909	0.8
172.09787	0.4
173.02301	0.9
175.03923	2.6
177.05371	0.6
184.05965	0.3
184.36545	0.3
185.02342	1.8
187.03917	4.9
191.03380	1.5
193.44475	0.4
201.01819	1.8
203.03360	4.5
207.68483	0.4
212.99055	0.3
212.99687	0.4
213.01811	4.1
215.03365	3.8
219.02887	0.8
229.01311	1.6
231.02873	20.8
232.03163	0.6
241.01286	3.9
247.02327	2.5
257.00735	1.8
259.02365	34.0
260.02722	0.7
261.04160	0.5
267.11264	0.6
275.01828	3.6
276.02625	2.8
277.03418	100.0
278.03674	1.6
285.00211	1.2
285.12213	1.2
303.01352	32.5
303.04846	2.0
303.13098	0.6
304.01743	0.6
315.04886	1.8
321.02267	2.3
324.50781	0.4
345.06229	2.4
363.03497	2.0
369.06033	0.8
385.05499	0.5
399.07498	0.8
409.93445	0.5
465.06485	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	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
54.31099	1.5
55.01853	4.6
55.05262	1.6
55.05506	25.8
57.03434	9.0
57.07067	2.0
59.04984	1.7
62.15502	1.4
63.36670	1.4
65.03925	3.0
67.05497	75.0
69.07058	23.5
70.84572	4.6
71.04980	3.4
79.05480	59.1
81.03414	2.5
81.07048	70.2
83.04959	7.0
83.08610	13.2
85.02893	1.9
85.06524	4.2
91.05468	84.5
93.07033	64.6
93.07616	3.5
95.04968	9.6
95.08597	44.2
97.06516	7.2
97.10140	7.7
99.08087	2.0
103.05447	3.0
105.07020	78.1
107.04955	7.7
107.08581	27.0
109.06486	9.7
109.10170	14.5
111.08050	3.1
115.05436	3.1
116.06257	1.8
117.06998	36.1
119.08575	44.2
121.06513	8.7
121.10130	19.1
123.08084	4.2
123.11745	3.5
125.09540	2.5
127.07553	2.2
128.06197	7.0
129.05444	1.7
129.06982	26.8
131.07565	3.7
131.08549	61.1
131.23782	1.4
133.06485	3.7
133.10118	26.6
135.00810	1.4
135.08064	4.5
135.11688	9.5
137.09625	5.1
139.11180	1.8
141.07011	9.4
142.07765	3.3
143.08551	27.7
143.84001	1.6
144.09245	1.8
145.06483	6.4
145.10095	35.9
147.08029	6.6
147.11690	10.1
149.09607	7.2
149.13205	7.3
151.11206	2.2
154.07716	1.8
155.08527	12.7
157.06470	1.8
157.10109	15.1
159.08029	3.2
159.11667	18.3
161.09549	4.7
161.13292	5.3
163.11147	3.2
167.08592	3.8
169.10114	10.9
171.07993	2.0
171.11656	12.3
173.09503	1.6
173.13271	7.4
175.11211	3.5
175.14786	2.6
175.54623	1.5
177.12737	2.9
181.10071	7.5
183.11607	7.9
185.09590	1.8
185.13246	10.0
187.11072	2.4
187.14775	6.2
195.11667	5.9
195.13783	2.0
197.13203	5.2
199.11116	2.5
199.14720	3.6
201.12788	2.7
207.11850	1.9
209.13255	3.5
211.14769	5.8
213.12712	3.8
213.16356	3.5
217.15913	2.2
219.13765	2.8
219.17271	2.3
223.14787	4.6
225.16362	3.1
227.14252	2.4
229.15814	2.4
233.15346	4.2
235.16980	2.8
237.16362	2.5
241.15726	1.6
243.17464	2.7
245.15327	3.8
247.16902	5.5
255.17270	2.1
257.15436	1.6
257.18829	1.6
259.16931	3.3
261.18515	3.9
273.18515	2.0
325.25293	6.6
335.23706	11.0
336.47894	1.6
343.26215	19.8
353.24686	44.0
361.27399	2.0
371.25751	50.7
389.21771	3.2
389.26822	61.0
409.27182	1.9
417.29886	1.6
427.28159	6.4
445.29437	100.0
446.73953	1.9
463.30469	40.9
464.30814	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	464.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
61.02914	2.7
64.17125	1.0
69.03416	3.5
69.07027	1.1
70.06581	2.9
71.59145	1.6
73.02893	2.9
79.05491	1.7
81.03392	1.9
81.07011	1.7
83.06073	2.3
84.04491	3.6
84.08116	1.8
85.02908	5.4
86.09688	5.3
89.03958	1.2
91.05479	2.1
97.02876	1.9
109.02854	2.1
112.11241	2.7
115.05418	1.1
116.35046	1.0
117.72307	1.0
117.73219	1.0
120.08097	12.3
121.02839	1.2
121.10072	1.2
128.06192	1.8
129.06987	4.3
129.13890	1.2
131.04974	1.4
131.08533	5.7
132.10164	1.2
136.07538	1.2
137.02290	2.1
140.08194	1.4
141.06950	2.1
144.05676	1.8
145.02876	1.7
147.04378	1.8
153.01790	6.5
157.06482	1.4
159.07982	7.8
161.09564	2.0
167.06972	2.8
168.07648	2.7
170.07314	1.5
171.08014	1.5
173.06013	1.5
177.05447	2.3
187.07539	6.5
189.09106	3.3
193.12311	1.1
199.07579	1.3
203.07137	1.2
204.07857	2.9
217.08466	1.6
219.10121	1.1
229.04944	1.4
231.10202	3.2
249.11201	100.0
250.11658	1.8
267.12396	1.7
267.15976	1.4
299.05261	1.8
303.04965	39.4
313.06921	2.3
314.07327	5.7
315.07935	2.3
319.04572	4.7
320.04745	8.3
325.06323	1.3
326.07562	2.2
339.07919	1.7
343.07819	2.1
344.08389	7.5
354.10651	2.2
368.08380	2.2
371.03818	2.5
398.09500	1.3
428.10498	3.8
446.11618	7.4
446.24173	1.3
464.12747	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01857	3.2
55.05508	18.3
57.03427	6.9
57.07054	3.2
65.03936	3.0
67.05497	81.0
68.05808	1.1
69.07061	27.8
70.21107	4.5
71.01338	1.1
71.04990	5.8
71.05313	0.9
73.02915	1.6
79.05483	51.5
81.03405	2.6
81.07047	100.0
83.04971	9.5
83.08131	1.7
83.08604	21.0
85.06528	5.8
91.05470	30.1
93.07032	78.2
95.04954	11.8
95.08598	26.3
97.06525	12.3
97.10168	1.6
97.19395	1.1
99.08089	5.6
105.07013	10.7
107.04958	1.9
107.08578	40.0
109.06519	2.2
109.10125	4.9
111.08055	10.7
111.11707	1.5
113.09616	2.5
117.07018	9.7
119.08579	3.5
121.06474	1.9
121.10130	24.9
123.11708	2.7
127.07526	1.1
130.19321	1.0
131.08560	11.5
133.10114	11.2
135.08054	2.4
135.11670	11.2
139.11172	2.6
149.09541	1.5
149.13242	52.1
159.10384	2.2
159.11658	19.0
161.18513	1.0
169.41824	1.1
170.56955	1.4
177.12703	10.3
195.13771	15.4
213.14813	3.0
357.26712	1.2
369.39203	1.1
384.15585	1.1
463.30502	55.2
464.30811	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01864	6.4
55.05510	33.6
55.83354	1.8
57.03421	6.9
57.07072	4.4
58.07138	1.7
59.08511	2.0
61.32476	1.7
61.75893	1.7
62.73161	1.6
65.03928	5.4
65.53549	1.7
67.05501	82.8
69.07068	33.2
69.25585	13.2
69.26021	8.3
71.04982	6.4
73.06537	2.3
79.05492	64.3
79.05954	3.1
81.03401	3.9
81.07056	96.0
83.04969	8.8
83.08614	17.5
85.06557	5.9
91.05477	100.0
93.07041	66.2
95.04973	13.7
95.08603	55.9
96.64512	1.8
97.06532	9.0
97.10162	5.2
103.05431	3.5
105.07024	83.0
107.04933	6.3
107.08588	33.8
109.06516	10.2
109.10167	17.5
111.08099	4.7
115.05463	5.6
116.06254	2.1
117.07015	45.5
119.08573	47.9
121.06504	11.4
121.10139	24.3
123.08065	6.3
123.11724	4.2
128.06230	8.7
129.07005	27.8
130.07745	2.1
131.08568	72.3
133.06473	4.0
133.10110	31.7
135.08055	7.1
135.11673	12.5
135.83937	2.0
137.09636	4.3
141.06985	8.8
142.07788	3.1
143.08556	27.3
145.06421	5.0
145.10121	36.4
147.08092	8.9
147.11685	9.2
149.09578	7.0
149.13277	7.3
151.11156	3.7
155.08565	17.4
157.10162	22.1
157.63147	1.9
159.08047	4.8
159.11716	20.4
161.09634	4.1
161.13248	2.9
163.11140	3.6
167.08611	3.8
169.10098	17.7
171.08090	2.6
171.11664	18.1
172.41006	2.3
173.13287	7.0
175.11183	3.5
175.14799	2.2
177.12674	3.3
181.10197	7.1
183.11725	7.7
185.09639	3.5
185.13194	9.2
187.11206	5.0
187.14804	7.3
189.16171	2.0
195.11710	8.0
195.13710	2.5
197.13286	11.8
199.11169	3.7
199.14857	7.7
205.10147	2.3
205.15826	2.3
209.13252	7.8
211.14812	7.8
213.12666	2.1
213.16472	3.1
215.14288	4.1
216.50470	2.0
217.15877	2.6
219.13762	2.5
223.14859	3.3
225.16423	5.2
227.14378	3.6
233.15260	2.7
235.16953	3.3
237.16576	2.8
239.17622	2.0
241.15845	5.4
243.17494	2.6
244.63828	2.1
245.15297	3.9
245.19148	2.0
247.16946	5.6
255.17491	2.8
259.16910	4.1
261.18582	5.3
269.19034	2.2
271.17041	2.3
273.18491	4.5
287.19751	2.2
307.24088	2.4
325.25000	11.9
335.23660	14.6
343.26331	25.5
353.24771	55.1
361.27390	2.6
371.25784	67.7
389.21829	3.4
389.26880	65.3
398.50446	1.9
427.28363	7.7
445.29483	81.4
463.30457	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03932	4.2
55.01849	2.7
55.05257	1.4
55.05503	18.0
57.03423	8.4
57.07055	3.2
65.03928	3.5
67.05494	81.4
69.03416	1.6
69.07058	28.5
69.60134	0.8
69.96450	1.7
69.96838	2.6
71.01321	1.2
71.04988	6.6
73.02888	1.4
79.05482	49.4
81.03391	3.1
81.07043	100.0
83.04958	9.0
83.08606	19.6
85.02900	1.1
85.06525	4.9
91.05466	28.6
93.07030	74.3
95.04958	11.1
95.08591	25.7
97.02872	1.1
97.06521	13.9
97.10140	2.9
98.21397	1.1
99.08076	3.9
99.77662	0.8
100.00688	0.9
105.04504	1.4
105.07005	11.5
107.04955	1.3
107.08577	40.8
109.06498	3.0
109.10136	5.2
111.08062	9.5
113.09624	1.5
117.07008	11.4
119.06018	0.9
119.08555	2.8
121.06476	2.1
121.10129	22.2
123.11689	2.1
129.06978	1.3
131.08553	11.8
133.10107	10.2
135.08028	2.0
135.11691	10.6
139.11191	1.3
145.10089	1.1
147.08102	0.9
147.11681	2.6
149.09601	1.8
149.13235	47.4
150.13551	1.0
159.11679	17.4
165.25652	0.8
167.14317	1.0
177.12729	12.1
189.23123	0.8
195.13783	17.0
195.15536	0.7
213.14806	4.4
226.58592	0.9
243.48312	1.0
287.11505	1.4
353.24698	0.9
445.29025	2.5
463.04575	1.1
463.30502	61.3
464.30444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
55.05495	0.1
56.90655	0.1
57.03419	0.2
65.42707	0.1
66.01079	0.2
67.05487	0.3
68.96805	0.1
68.99809	0.2
69.03429	0.2
69.75739	0.1
71.04988	0.2
71.33036	0.2
72.85710	0.1
78.01035	0.2
81.03413	0.3
81.07056	0.2
85.02901	0.6
86.09702	0.5
86.70530	0.2
94.04182	0.5
97.02905	0.2
105.07064	0.2
109.02884	0.2
120.08112	0.4
121.02847	2.0
128.55489	0.1
133.10100	0.6
134.10445	0.4
137.02361	0.3
145.02826	0.2
147.46417	0.1
153.01816	0.6
177.05434	0.3
182.74606	0.1
184.05188	0.8
188.04707	0.4
210.01550	0.3
212.04675	0.8
213.05415	1.0
216.04178	0.2
229.04985	1.1
229.07179	0.2
230.05641	0.2
236.59276	0.2
240.04176	0.3
241.04878	0.5
241.07246	0.2
257.04498	0.9
258.05225	6.7
259.05829	0.2
259.08496	0.5
269.04413	0.5
285.03900	15.5
286.04684	55.4
287.05054	1.6
301.07028	100.0
302.07379	2.8
317.06543	0.5
413.08389	0.2
463.12067	0.6
463.18164	0.1
463.69348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02378	0.8
51.44173	0.9
53.03936	3.9
55.01863	3.3
55.05259	1.3
55.05510	19.6
57.03442	5.4
57.07064	2.6
57.73771	0.8
59.52278	0.9
63.17698	0.9
65.03931	3.8
67.05501	76.0
69.07063	26.0
69.93961	3.2
69.94386	1.7
71.01347	1.1
71.04993	5.4
79.05492	48.8
79.29372	0.8
81.03426	3.9
81.07054	100.0
83.04979	8.4
83.08614	18.0
85.06540	4.1
91.04894	1.1
91.05475	28.7
93.07040	66.4
95.04963	10.2
95.08603	24.9
97.06528	13.9
97.10149	1.9
99.08096	2.6
99.85735	0.9
105.07037	11.3
107.04945	1.3
107.08590	37.9
109.06524	4.5
109.10145	4.8
111.08060	7.9
113.06003	0.9
113.09662	1.1
115.05463	1.3
117.07008	11.4
119.08585	4.8
121.06517	2.3
121.10133	21.3
123.08052	1.6
123.11700	4.0
125.09639	1.3
129.07002	2.7
129.17548	0.8
129.53506	0.8
130.30341	0.7
131.08566	13.7
133.10127	15.0
135.08032	2.4
135.11697	12.3
139.11165	1.7
143.08525	1.3
145.10161	1.9
147.11716	2.6
149.09659	1.3
149.13254	39.3
151.11215	1.0
153.09096	1.5
157.10129	2.7
159.11693	19.3
167.14365	1.4
177.12733	9.6
188.01303	0.8
195.13806	23.9
213.14883	3.9
251.16443	1.1
262.36597	0.8
269.17419	1.0
272.06775	0.8
333.20288	0.8
335.23682	1.0
353.24890	2.8
363.47473	0.8
371.25809	2.9
389.26645	2.0
423.39117	1.1
445.29584	3.6
463.30545	72.5
464.30923	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
62.24459	0.7
65.19972	0.7
69.03421	1.0
73.02916	1.3
74.10372	0.8
78.90714	0.7
81.03400	1.7
85.02879	1.9
96.22558	0.7
97.02910	1.0
103.03887	0.8
109.02849	1.0
121.02811	1.6
141.01848	1.3
141.50031	0.7
149.02301	1.0
149.05971	1.7
151.03882	5.1
153.01747	1.1
165.01823	8.2
167.03412	2.2
175.03960	1.8
177.05467	1.0
183.02881	5.2
191.03416	0.8
195.02872	1.5
205.05049	1.2
215.03546	0.8
222.92035	0.7
254.05846	0.8
261.83862	0.7
268.07300	1.2
270.05188	3.3
271.05954	3.2
282.05209	5.1
282.08371	1.1
286.04633	1.6
296.06772	10.2
297.07410	3.7
298.04669	17.2
298.07568	0.7
299.05261	1.2
300.06277	7.0
301.06979	4.2
308.06796	0.9
310.04645	4.2
310.08344	5.0
311.09021	5.3
312.06268	1.6
313.07028	100.0
314.07639	7.0
319.04471	6.6
320.06708	0.8
324.06302	10.8
325.06970	5.8
325.10596	1.6
327.08505	1.9
328.05786	13.3
335.09158	1.8
336.06113	2.3
337.07028	1.8
338.07706	7.2
339.04843	1.8
339.08609	14.2
341.06543	1.0
343.08099	66.9
344.08466	2.2
348.06268	2.2
351.08591	1.9
352.05518	1.1
353.06705	0.7
353.10257	13.1
359.04062	0.8
363.08521	2.3
364.05728	2.1
366.07367	1.0
367.08087	41.1
368.08258	1.0
376.05487	1.5
376.67059	0.7
379.08047	11.4
381.09589	3.0
391.08121	7.5
394.06897	2.2
397.09146	22.1
409.09140	19.4
427.10233	21.4
445.11255	10.6
463.12222	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	Tricin 4'-apioside
Peak:m/z	Relative Intensity
55.05474	1.1
56.96526	0.3
57.03428	1.8
61.02898	0.8
65.54186	0.3
67.05489	3.1
69.03417	2.0
69.07027	0.8
70.06590	0.3
70.15640	0.3
71.04939	1.1
71.59480	0.4
71.59904	0.3
73.02905	2.8
73.93017	0.3
78.39059	0.3
79.05475	1.6
81.03394	1.6
81.07040	4.3
83.04922	0.9
83.08595	0.4
85.02887	2.3
85.06508	0.8
91.05467	1.9
93.07024	1.6
95.04928	0.7
95.08549	1.2
97.02834	1.4
97.06476	0.7
98.97522	1.2
99.04468	0.3
103.05429	0.3
105.06979	1.4
107.04911	0.8
107.08560	1.6
109.02844	0.7
109.10096	1.2
111.04403	0.3
111.08064	0.4
111.11637	0.3
115.03887	0.4
116.98557	1.2
119.08524	0.8
121.10102	0.9
123.11647	0.9
127.03852	1.0
127.83568	0.3
131.08490	0.5
133.10056	1.2
134.99619	0.7
135.08023	0.4
135.11638	0.7
139.11147	0.3
145.02823	0.4
145.10042	0.4
147.11639	0.4
149.13194	0.6
151.03842	0.7
151.07494	0.4
151.11130	0.8
153.01817	2.1
159.11691	1.5
169.48196	0.3
177.00624	0.4
177.05405	0.7
177.12651	1.3
187.13254	0.8
189.05447	0.7
195.13757	0.4
217.04929	3.6
222.59610	0.3
231.02824	0.5
236.17099	0.3
243.15862	1.8
245.04434	11.1
255.11238	0.7
257.04483	0.5
257.17322	0.7
259.06021	0.5
269.17462	2.6
271.06061	0.6
271.12173	0.4
273.03900	12.9
285.03741	0.4
285.09955	0.6
287.05429	1.0
288.06256	0.7
299.05463	0.7
300.02618	0.4
301.03375	39.5
301.19965	0.9
302.03735	1.3
313.00140	0.6
315.04926	3.9
316.05719	53.8
317.06268	2.0
331.08060	100.0
332.08334	2.8
373.08997	0.6
445.24637	0.6
463.12280	34.2
464.12680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01858	1.2
55.91066	0.4
56.96566	0.5
57.03428	0.6
61.02874	0.4
69.03422	3.8
69.80625	1.0
69.81041	1.2
70.06580	0.5
71.01381	0.4
71.04967	1.1
73.02908	3.6
79.05484	2.9
81.03398	3.3
84.08167	0.5
85.02897	2.4
89.03877	0.5
91.05437	0.4
95.04953	1.1
96.04369	0.4
97.02872	1.6
98.20744	0.7
99.04482	0.4
103.05463	2.0
105.07021	26.3
107.04936	0.8
109.02882	1.9
110.07198	0.4
112.11236	1.0
115.03890	0.7
115.05453	0.9
117.03397	0.5
120.08043	0.5
127.03901	2.1
131.04906	0.6
133.06477	100.0
134.06836	2.0
145.02815	0.9
145.04982	0.5
150.07576	0.4
153.01813	2.5
154.02174	0.6
163.03935	0.8
168.46149	0.4
177.05444	1.2
189.01869	0.4
191.03371	0.7
217.01341	0.6
219.02951	0.5
235.02420	0.6
263.01978	0.4
277.03433	0.6
295.10110	0.5
303.01489	0.5
319.00815	1.4
333.46182	0.4
432.70050	0.4
462.26996	0.4
463.04990	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	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45277	0.3
53.03930	0.7
55.01863	0.9
56.96572	0.3
57.03427	0.5
59.36555	0.3
63.33191	0.3
69.03427	4.3
69.68884	1.6
70.06597	0.5
71.04978	1.3
73.02918	4.1
75.25578	0.3
79.05486	3.2
81.03415	4.1
84.08128	0.6
84.54138	0.3
85.02897	2.6
86.09694	0.6
91.05434	0.6
95.04976	0.7
97.02877	1.8
103.05474	1.9
105.07022	25.1
107.04942	0.9
109.02866	1.9
112.11218	0.7
115.03904	0.4
115.05460	1.1
117.03406	0.4
122.37619	0.4
127.03911	1.6
129.13869	0.6
131.04839	0.3
133.06480	100.0
134.06787	1.8
135.07944	0.3
145.02809	1.0
145.04988	0.6
147.04420	0.8
150.09167	0.4
150.62808	0.4
153.01848	3.1
154.02141	1.2
163.03951	0.8
165.01823	0.3
169.19283	0.3
175.03812	0.3
177.05455	1.1
179.03397	0.4
189.01877	0.6
191.03371	0.6
207.02821	0.4
209.71635	0.4
217.01297	0.7
219.02910	0.5
235.02371	1.0
247.02377	0.8
263.01758	0.4
273.00323	0.6
284.08826	0.3
301.11722	0.4
319.00858	1.3
463.05115	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	463.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45533	4.2
70.85872	11.2
78.95610	6.4
98.87094	4.8
104.99235	9.0
106.95444	5.0
112.89658	5.7
120.96651	70.0
132.96622	11.4
150.97646	22.4
180.92221	7.0
180.98737	17.9
185.04205	11.6
198.98499	45.7
203.05241	38.4
216.99597	10.2
222.99789	5.2
228.99568	6.4
241.00880	13.8
259.00739	6.6
301.01712	14.3
319.02463	6.0
365.10483	100.0
381.07867	82.9
403.06033	47.9
487.21539	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	461.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30704	0.6
50.95463	0.8
51.73123	0.7
53.03925	1.2
54.45687	0.8
55.01864	1.0
55.05497	5.5
56.96547	1.1
57.03416	1.0
57.07069	1.1
67.05488	8.5
69.03411	1.6
69.07070	4.8
71.04967	1.5
71.08598	1.0
73.02906	0.7
79.05479	5.3
81.03396	1.7
81.07053	12.0
83.01314	2.0
83.04942	2.1
83.08604	3.3
85.02891	2.2
86.79205	0.9
91.05489	4.8
93.07026	5.3
95.04963	2.4
95.08595	14.5
97.02913	1.0
97.06510	0.7
97.10142	1.8
99.08083	1.0
100.11227	0.8
105.07020	6.8
107.04941	1.4
107.08564	4.7
108.05743	0.9
109.02847	0.7
109.06506	1.2
109.10131	5.7
111.04432	7.3
111.08046	1.1
117.06984	1.6
119.08571	3.0
121.06493	3.1
121.10127	3.5
123.08044	10.1
123.11662	2.4
125.09569	0.9
129.06967	1.3
131.08580	5.0
133.06531	0.9
133.10139	2.0
135.08034	10.6
135.11708	1.8
137.05968	1.2
137.09561	0.9
137.13234	0.8
143.08511	1.4
145.10139	4.9
147.08020	1.2
147.11687	2.1
149.09599	5.3
149.13179	1.3
151.07529	86.3
152.07797	0.8
153.01785	1.5
155.08485	1.1
158.07236	0.8
159.08081	3.8
159.11664	2.0
161.05965	1.4
161.09546	1.5
162.06725	3.2
163.07506	1.8
163.11185	7.2
165.09076	13.7
173.09581	5.7
173.13251	0.8
175.07545	2.0
176.08308	8.9
177.09090	62.8
187.11130	3.7
189.09093	1.5
190.09865	5.2
191.10649	100.0
196.84210	0.9
199.17865	0.8
201.12784	1.3
203.10655	2.0
205.12216	68.3
217.12094	0.9
219.13919	4.8
231.13756	1.0
251.23688	0.8
323.25836	0.9
355.21536	5.1
369.24036	1.8
387.24838	1.0
397.31003	1.0
401.25809	7.5
415.32071	5.2
425.30557	1.3
461.27792	2.5
461.32495	6.0
482.14844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
55.05497	35.5
57.07081	53.5
58.62032	10.5
67.05484	31.2
68.52982	9.6
69.07059	95.2
71.08620	49.5
71.58908	17.6
71.59302	13.6
79.05490	26.3
81.07039	73.5
83.08591	41.1
85.10168	41.7
87.42066	11.4
91.05460	40.8
93.07032	32.0
93.35726	10.7
95.08595	95.0
97.10146	41.8
105.06997	76.3
107.04939	35.9
107.08589	52.5
109.06528	17.1
109.10149	47.8
111.11665	13.7
117.07008	23.3
119.08543	47.0
121.10117	41.0
123.11661	19.4
125.05989	26.3
129.06990	17.4
131.08533	35.7
133.06461	16.2
133.10135	39.8
135.07973	11.8
135.11714	22.9
139.14845	11.3
143.08549	36.0
145.10149	63.1
147.08064	13.0
147.11661	35.6
149.13193	13.0
155.08566	14.8
157.10069	20.4
159.11673	21.3
161.09599	10.8
161.13232	16.2
169.08539	13.5
169.09988	12.0
171.11670	26.7
173.09610	13.7
173.13223	10.8
175.14832	16.1
177.16353	12.8
183.11610	21.6
185.13150	11.9
187.11105	10.9
187.14809	12.5
189.09085	16.8
197.13274	16.6
213.16327	11.0
215.10329	10.9
221.13388	11.9
239.17937	28.6
243.13771	12.0
266.42593	10.6
285.18414	71.1
379.18372	11.2
407.33167	14.6
425.34134	90.7
443.35391	100.0
461.30276	35.1
461.36523	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	461.2873
Annotation	Lys Trp Lys
Peak:m/z	Relative Intensity
55.05504	2.3
56.93832	0.8
57.03415	0.8
66.24562	0.8
67.05495	3.4
69.07077	1.6
71.59789	1.6
79.05450	2.3
81.03403	2.0
81.07040	3.3
83.08604	1.5
91.05475	1.6
93.07059	1.7
95.04955	1.8
95.08608	2.7
97.02905	1.8
105.07033	2.0
107.04968	1.4
107.08588	1.6
117.07052	1.5
119.08588	2.0
121.06483	0.9
121.10141	1.3
131.08504	2.0
147.90605	1.0
157.10133	1.3
161.13153	1.2
196.08853	1.1
231.25635	1.0
281.12833	1.2
461.28729	100.0
462.29065	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	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54426	1.6
50.58666	1.7
51.09194	1.7
53.03926	5.0
55.01864	8.4
55.05260	1.8
55.05506	25.4
56.96560	12.9
57.03434	8.0
57.07048	1.8
65.03924	4.1
67.05499	56.9
67.39899	1.7
69.03414	5.5
69.07060	17.8
70.73094	4.2
71.04587	1.4
71.04973	6.8
79.05054	3.3
79.05483	47.1
81.03407	32.6
81.07047	61.1
81.50223	1.6
83.04965	7.8
83.08607	22.2
85.02887	3.7
85.06522	3.4
91.05466	47.2
91.06003	3.4
93.07030	44.3
95.04953	36.5
95.08591	24.8
97.06514	7.3
97.10155	17.7
99.08018	1.9
103.05465	4.6
105.03375	1.8
105.07014	39.4
107.04949	17.5
107.08585	21.7
109.06533	13.0
109.10150	14.3
110.53509	1.7
111.08056	4.9
114.38618	1.7
115.05403	3.9
116.07264	1.5
117.07008	24.5
119.04942	5.5
119.08556	22.4
119.94116	1.6
121.06494	20.4
121.10114	15.3
123.08037	8.1
123.11700	2.1
125.05889	2.2
125.09612	11.9
128.06210	5.9
129.06981	22.8
129.07910	2.5
129.52269	1.6
131.04921	4.9
131.08554	30.2
133.06494	11.8
133.10117	10.3
133.26175	1.6
135.08057	9.1
135.11700	6.1
137.06001	2.4
137.09589	3.5
141.06960	7.7
142.07782	3.1
143.08554	15.0
145.06480	18.0
145.10100	13.0
146.37680	1.9
147.08005	11.4
147.11668	5.9
149.09587	7.3
149.13272	8.8
151.07454	1.7
153.01859	2.3
153.06909	2.1
153.09088	2.4
155.08516	10.9
157.06458	4.2
157.10091	13.2
159.08051	6.9
159.11665	9.1
161.09598	6.0
161.13222	3.3
163.11215	4.1
165.09085	3.9
165.12761	1.7
167.06998	2.6
167.08481	3.6
169.10107	7.0
171.08044	4.8
171.11661	6.1
173.09659	2.6
173.13277	2.9
175.11177	3.7
177.12752	5.5
181.10130	5.2
183.08070	2.0
183.11650	5.1
185.09558	2.4
185.13283	4.0
187.11130	2.7
189.09158	2.7
189.11201	8.6
193.10413	2.4
193.12247	10.3
195.11610	2.3
195.13901	2.2
197.04866	1.8
197.09630	2.8
197.13235	5.8
199.14816	7.1
201.12688	4.2
203.14240	1.8
205.12189	2.1
207.11803	2.1
211.11052	3.2
211.14862	2.6
213.12833	3.2
215.14351	2.3
217.15852	10.4
223.13185	2.2
225.12640	2.9
227.12711	3.8
229.15933	2.4
233.15344	3.2
239.14316	4.1
241.07466	4.5
245.15578	2.1
249.14745	2.8
257.15341	3.9
259.08594	5.9
262.71347	1.9
271.16940	2.3
273.14905	2.7
273.18332	2.4
275.16464	3.0
333.22055	3.5
341.24738	5.0
343.22623	3.7
351.23111	20.4
361.16925	5.1
369.24182	35.3
369.28491	3.2
371.15451	2.5
387.25302	15.0
389.16385	12.7
407.17307	7.7
407.25592	2.8
417.15652	2.4
417.26114	3.7
425.26807	4.4
443.27826	35.4
444.28036	2.6
461.28918	100.0
462.29205	3.6
470.99295	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	461.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00081	0.4
60.07328	0.3
60.96445	0.3
62.52242	0.3
70.06581	0.4
71.04978	0.9
71.11532	1.0
71.77393	0.4
75.25275	0.4
76.98779	0.4
81.03412	0.6
81.07046	0.6
81.28398	0.3
83.25020	0.3
85.02885	0.9
86.09697	0.5
91.05525	0.4
105.07068	0.4
118.92620	0.4
119.04951	0.5
137.06006	0.7
147.04382	0.6
153.01772	0.9
177.05424	0.4
189.05164	2.1
191.05388	0.4
219.06239	5.2
229.05057	0.4
231.06332	0.4
234.08591	30.2
234.99078	0.4
235.09221	1.8
249.07390	0.6
260.27997	0.4
304.14377	0.4
383.14453	0.4
413.15576	1.4
431.16824	0.6
461.17773	100.0
462.18155	3.8
464.84171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.0
67.05488	1.6
69.03450	1.2
69.07066	2.3
71.04982	1.2
76.60994	1.0
79.93488	1.0
81.07054	2.0
81.23689	1.0
83.04968	1.1
84.96016	3.2
85.02898	1.7
91.05484	3.3
93.07030	1.6
97.02872	1.2
98.97569	17.0
100.11236	1.6
105.07064	1.7
107.04933	1.1
107.08591	1.2
109.02861	1.3
109.10180	1.2
110.45627	1.0
110.97542	2.8
116.98613	15.2
119.04964	1.6
121.06526	1.2
121.10140	1.0
128.98608	7.9
131.08607	1.5
133.10104	1.6
134.99643	8.6
137.05989	5.2
140.00203	1.5
143.00206	1.2
144.98029	1.1
146.99660	8.5
147.04367	1.3
151.07526	6.6
153.00742	1.7
153.01830	6.4
158.99640	3.3
161.01228	2.5
162.99150	2.9
165.00740	1.7
165.09068	1.2
167.07031	1.4
170.99629	3.3
177.00722	7.7
177.09169	1.3
187.07460	1.5
189.00743	4.2
195.01802	1.1
201.00647	1.5
219.01801	4.6
237.02771	12.7
249.02867	2.4
255.03851	1.7
255.20876	1.0
280.95767	1.0
281.10663	1.5
283.09662	1.4
285.11057	1.4
329.12692	3.2
341.12842	3.6
347.13757	20.2
461.17596	100.0
462.17722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27044	1.4
55.05510	1.7
57.03434	12.9
61.02930	1.4
62.47609	1.2
69.03414	1.5
69.25121	2.7
69.25526	13.8
71.04985	80.0
72.30899	1.8
73.64843	1.4
75.04477	2.5
79.01845	3.8
80.72548	1.3
83.04970	4.4
85.02896	95.6
87.04465	2.9
111.04395	1.9
115.10967	1.3
125.02370	2.7
129.05472	27.1
137.02246	1.5
143.03397	6.6
147.06525	5.9
149.65506	1.4
153.01819	100.0
154.77551	1.3
177.05569	1.7
195.02919	1.4
207.02917	1.7
233.04451	3.8
315.07004	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	461.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17337	0.8
55.01841	1.2
55.05495	1.3
57.03431	12.1
60.19844	0.7
61.02908	1.5
69.03427	1.0
69.26260	4.8
69.26683	4.3
71.01356	1.2
71.04987	86.4
73.02907	1.9
75.04476	4.3
75.72744	0.8
79.01846	2.0
83.04964	3.2
85.02897	95.9
87.04447	2.4
88.16071	0.8
97.02877	2.1
98.20737	1.3
111.04440	2.5
125.02382	1.6
129.05472	29.7
143.03365	4.8
147.06477	5.8
153.01816	100.0
177.05481	1.0
195.02946	1.1
199.39713	0.9
205.04971	1.7
207.02884	1.0
208.14337	0.8
221.04468	1.2
233.04372	2.6
261.03885	1.3
279.04919	1.3
297.05994	1.6
315.07056	10.0
341.06702	1.0
392.61127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
55.36832	1.0
57.03436	12.9
69.51284	8.7
70.06571	4.3
71.04987	90.1
72.08152	1.2
72.93773	1.4
73.02929	1.8
74.97177	1.0
75.04462	4.3
79.01849	2.4
79.18792	1.1
81.07038	1.8
83.04967	4.3
85.02895	100.0
86.69831	1.1
87.04496	2.3
97.02872	3.5
97.47556	0.9
98.20773	2.0
107.04945	2.8
109.02821	1.6
111.04420	2.1
125.02306	2.2
129.05466	29.5
131.04880	1.5
143.03400	4.4
147.04492	1.4
147.06549	5.1
148.98901	1.8
153.01813	95.8
159.04327	1.6
177.05424	2.1
195.02950	2.0
205.04910	2.2
207.02951	1.7
217.13443	1.4
219.06160	1.1
233.04465	2.4
234.08575	2.4
240.17020	1.1
245.13022	1.1
249.27904	1.1
249.57910	1.1
257.04718	6.2
275.05655	1.7
279.05145	1.2
297.06012	1.6
299.05804	2.1
315.07059	10.5
461.17990	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	460.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03745	0.2
53.03918	0.2
55.93527	0.2
61.02906	0.5
65.03927	0.6
69.03412	0.9
71.04987	0.2
71.57950	0.2
72.08144	0.4
73.02878	0.3
81.03412	0.7
85.02890	3.0
86.09700	0.4
91.05473	6.7
97.02898	1.2
109.02867	0.6
119.04929	19.4
120.05296	0.4
127.03883	0.8
136.06142	0.6
145.04924	0.5
147.04393	100.0
148.04758	1.7
148.05861	0.3
153.01801	1.2
277.03476	0.2
303.01309	0.6
309.09485	0.2
325.98895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81426	0.6
55.05510	8.3
69.03432	1.2
69.91295	3.0
72.08151	100.0
85.02917	2.4
90.30025	0.5
118.08649	73.7
119.04936	1.4
127.03930	1.5
133.30487	0.6
145.05028	1.4
147.04402	3.8
241.90485	0.6
387.46582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	18.4
69.03423	12.2
70.06596	9.6
70.38246	17.9
71.01386	4.8
71.04978	62.3
72.61306	5.0
73.02906	17.0
79.00330	5.8
83.04957	4.9
85.02900	97.3
86.09692	6.7
89.06003	12.3
97.02889	13.2
98.45461	4.9
105.06999	8.7
127.03894	9.3
129.05447	22.8
143.03406	8.4
145.02898	6.2
147.04396	34.2
153.01814	100.0
177.05490	8.6
265.07993	5.5
283.41095	6.1
460.09409	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	460.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77898	0.6
53.03921	0.8
57.03416	1.1
61.02917	0.8
65.29407	0.7
67.05486	1.2
69.03417	1.8
70.06577	1.2
70.25787	0.6
71.04976	1.1
71.59097	1.0
74.06055	1.0
79.05465	1.1
81.03394	0.9
81.07040	0.9
83.04971	0.8
84.04494	1.0
84.08131	0.7
85.02911	6.9
86.09691	2.4
91.05489	1.4
93.07033	1.1
95.04967	1.0
95.08591	4.7
97.02878	1.9
97.06523	2.6
105.07023	1.3
107.04968	0.8
109.02866	1.4
110.07119	0.6
111.04388	1.0
119.08572	1.4
121.06491	1.5
123.08059	68.2
124.08373	1.6
127.03885	1.1
129.05486	0.7
131.08493	1.1
136.52014	0.6
137.02362	1.0
137.06032	0.7
142.07826	0.8
145.04927	1.6
147.04414	1.6
153.01802	2.4
155.22961	0.7
156.09293	0.7
157.10217	0.8
159.08018	1.4
159.11632	1.0
160.08887	0.7
161.09569	1.3
161.13463	0.7
163.07587	0.8
165.09102	100.0
166.09409	1.0
167.07007	0.9
173.09587	0.7
173.12932	0.7
175.11127	1.4
177.05464	1.3
187.11205	1.1
193.58513	0.7
194.04784	0.7
199.11208	2.0
203.06950	0.9
203.10730	1.2
205.08678	0.6
233.11726	3.0
245.11707	1.4
263.12772	23.6
263.15613	1.4
281.13715	1.4
288.98520	0.9
303.01337	0.9
310.04828	0.9
323.05484	1.3
353.06522	3.2
371.07596	1.7
383.07254	0.6
425.08603	1.1
443.09741	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01847	4.9
55.05503	31.6
56.96552	2.6
57.03420	2.2
57.07075	10.3
59.00596	1.9
59.05009	2.4
67.05167	3.7
67.05498	44.0
69.03412	5.3
69.06718	3.2
69.07066	40.8
71.04974	3.9
71.08615	3.6
71.20332	4.6
73.54119	1.8
79.05479	23.7
81.03388	8.0
81.07049	99.6
83.04957	6.4
83.08601	23.6
85.02879	3.0
85.06509	4.5
85.10151	2.0
91.05470	24.3
93.07034	38.0
94.09357	1.8
95.04967	10.9
95.08596	100.0
97.06533	4.1
97.10162	14.6
105.07016	21.8
107.04903	5.4
107.07935	3.5
107.08584	30.2
109.06470	10.8
109.10145	56.7
111.08060	7.5
111.11691	6.7
115.05517	2.3
117.06985	5.8
119.04928	2.7
119.08566	15.7
121.06493	10.5
121.10146	18.9
123.08041	9.7
123.11697	31.9
124.05206	2.3
125.05977	5.5
125.09614	3.8
127.07470	2.9
128.06273	2.4
129.06927	2.8
131.08591	10.0
133.06462	4.0
133.10117	15.6
135.08005	8.3
135.11682	13.6
137.05971	21.2
137.09561	6.4
137.13237	29.2
139.07533	33.4
141.07079	2.4
143.08556	8.1
145.06503	4.4
145.10103	6.7
147.08084	2.3
147.11667	8.6
149.05981	11.6
149.09583	8.3
149.13234	12.4
151.07520	17.7
151.14815	7.2
153.09140	3.6
155.06999	2.4
155.08426	2.8
157.10126	4.5
159.07977	5.2
159.11658	6.1
160.07535	2.6
161.09583	5.2
161.13190	4.1
163.07549	2.5
163.11148	3.7
163.14781	7.0
165.05406	13.8
165.09050	11.5
165.12706	3.7
165.16359	2.8
167.07045	23.6
169.10086	4.2
171.11639	4.6
172.93137	2.4
173.09612	4.2
173.13332	3.1
175.07579	4.2
175.11136	6.9
177.09090	45.5
177.12691	5.2
177.16374	3.8
179.06999	7.2
179.10593	3.0
179.18019	3.0
181.08546	6.6
185.13210	3.3
187.11131	2.8
187.14862	2.7
189.11180	3.6
189.12703	3.0
189.16380	3.2
191.10696	3.2
191.14252	2.3
191.17873	2.5
193.06738	1.8
193.08572	9.4
193.12265	8.7
195.10071	3.7
197.13193	3.5
199.11209	2.4
203.10579	3.5
205.12195	8.9
205.19481	3.4
207.13742	2.7
211.11256	2.3
215.14282	2.6
217.12178	2.5
219.10106	2.2
219.13779	2.4
221.11679	4.1
222.08788	2.0
229.12154	2.9
233.15297	9.3
235.13182	4.1
237.11136	4.2
243.13641	2.7
257.15231	2.4
259.11996	2.0
261.25757	7.4
273.14792	4.2
285.18524	3.2
285.25809	4.7
303.26776	7.9
317.69788	2.2
367.22620	9.1
385.23514	11.1
395.33044	7.4
399.32797	4.3
403.19910	3.2
405.31577	3.1
413.34048	4.9
423.32614	11.3
441.28467	2.5
441.33746	26.2
459.27383	29.3
459.34610	23.3
460.28577	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
53.44598	1.0
55.01870	8.7
55.05261	1.8
55.05505	30.1
56.39900	1.1
57.03419	4.3
65.03922	1.9
67.05495	33.0
69.03414	4.0
69.07059	9.5
70.11422	2.1
71.04973	3.2
79.05482	35.4
81.03407	27.9
81.07047	30.8
83.04105	1.0
83.04966	4.7
83.08606	16.0
85.02895	1.9
85.06530	1.4
91.05466	28.4
91.06004	2.1
93.07027	22.3
94.29655	1.0
95.04961	17.6
95.08601	15.8
97.06509	4.3
97.10154	23.1
99.08068	1.5
103.05421	1.3
105.07016	24.4
105.16069	0.9
107.04954	19.9
107.08584	18.0
109.02850	1.9
109.06511	6.0
109.10139	11.5
111.04450	1.1
111.08030	5.8
115.05444	3.8
116.06269	1.1
117.06996	12.0
119.04926	2.8
119.08572	14.6
121.06487	14.3
121.10116	8.6
123.04424	2.4
123.08053	6.6
123.11690	1.5
125.06020	2.0
125.09621	16.2
128.06183	2.7
129.06982	13.5
131.04929	7.2
131.08546	13.3
133.06496	9.8
133.10114	6.9
135.04369	1.3
135.08054	6.8
135.11673	3.5
137.05963	2.2
137.09615	2.5
139.07555	1.4
141.06975	4.6
142.07794	1.1
143.08524	9.8
144.05739	2.6
145.06467	30.6
145.10103	5.8
146.07045	1.2
147.04402	2.5
147.08018	9.3
147.11661	7.7
147.69972	1.1
149.09608	3.8
151.07541	1.6
151.11186	1.6
153.07002	1.2
153.09097	4.3
153.12744	1.6
155.08551	6.7
157.06485	4.5
157.10110	7.4
159.08034	6.1
159.11720	2.5
161.06012	5.6
161.09604	4.7
163.11203	3.1
165.09081	2.6
165.12761	2.0
167.08511	2.3
169.06496	2.8
169.10155	5.5
171.08000	5.9
171.11670	4.4
173.09604	2.6
173.13257	2.1
175.07445	1.6
175.11201	4.9
177.12772	1.5
179.08566	2.3
181.06458	1.8
181.10085	3.0
183.08052	3.0
183.11725	3.1
185.09598	4.6
185.13274	2.8
187.11214	2.0
187.14685	1.1
189.09421	1.9
189.11201	10.0
189.12793	2.5
191.10677	1.2
193.10353	2.0
193.12201	18.7
195.07991	3.6
195.11627	4.9
196.46718	0.9
197.09608	2.9
197.13254	3.6
199.11168	4.2
199.14827	1.1
203.14351	1.4
205.12212	1.9
209.13324	1.6
211.11261	2.4
211.13213	2.4
213.12752	3.3
215.14330	3.6
217.12170	1.6
219.11781	1.9
219.13812	1.3
223.11270	2.0
225.12721	3.1
227.14319	3.6
231.13863	2.5
233.15382	6.1
235.11284	1.5
237.12733	5.4
239.14328	1.9
241.14330	1.4
243.13716	1.6
245.15428	1.9
249.12624	1.1
249.14920	3.2
253.15868	1.3
255.13776	5.5
257.15497	2.8
259.13257	2.2
269.15457	1.6
271.13251	1.3
271.16754	1.3
273.14835	19.7
275.16571	1.3
281.15347	2.2
283.16876	2.0
287.16376	3.2
289.17767	1.2
299.16321	1.4
311.16171	1.2
321.22104	1.8
325.18024	1.3
331.20425	2.5
339.23199	6.1
349.21576	20.3
349.25671	1.6
357.24002	5.0
367.22620	50.5
383.43597	1.2
385.18698	2.4
385.23672	47.5
386.24332	1.9
395.03857	1.2
403.24692	11.9
405.24225	2.8
423.25266	2.9
441.26184	7.2
459.27374	100.0
460.27490	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	459.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09943	0.7
55.01860	1.7
55.05500	1.5
56.96532	1.0
57.03427	1.6
67.05492	3.2
68.65427	0.7
69.03413	2.4
69.07056	1.1
70.50805	1.7
70.51204	2.1
71.04964	1.8
73.02916	4.0
79.05479	3.7
81.03401	1.3
81.07031	3.0
83.04971	1.2
84.08106	1.0
84.70229	0.7
85.02876	2.9
86.09687	1.1
91.05479	6.5
93.07037	3.8
94.04170	2.5
95.04940	2.2
95.08613	5.5
95.09128	0.8
97.02871	1.6
99.04427	1.5
103.05437	2.5
105.07007	3.6
107.04962	1.7
107.08577	1.9
109.02882	1.5
109.06528	2.1
111.04412	2.1
115.05426	5.2
117.05419	1.1
117.07001	3.3
119.04911	3.5
119.05679	0.8
119.08562	2.2
121.06489	3.2
121.10128	1.4
122.03635	9.7
123.08057	3.3
128.06230	2.1
128.11699	0.8
129.07016	4.0
130.07782	1.1
131.04926	5.5
131.08556	0.9
133.06485	1.6
135.08040	1.9
137.05969	100.0
138.06198	0.9
141.06961	1.5
143.04916	3.7
145.02895	0.9
145.06473	3.2
145.10081	1.0
147.04381	3.0
147.08003	0.9
149.05965	1.9
149.09628	1.3
151.03899	2.1
151.07535	18.2
153.01836	2.8
153.06967	1.8
155.08508	1.7
157.06436	2.5
157.10127	1.0
159.08038	1.6
160.05170	3.0
161.05960	7.5
161.09656	1.6
162.03177	1.1
163.07538	6.7
165.05542	0.8
165.06946	1.7
165.09094	3.6
167.07053	1.5
167.10640	0.9
168.05760	0.8
169.06529	1.0
171.08014	1.3
173.05965	1.3
173.09633	1.3
174.06712	2.4
175.07544	21.1
177.05400	6.8
177.09085	5.1
179.06981	2.6
181.06480	1.3
183.08028	1.5
185.09616	1.1
187.07518	3.8
189.05473	1.5
189.09033	7.4
190.06201	1.2
191.07004	6.1
191.10623	2.7
193.08595	2.0
195.10146	15.7
197.09663	1.1
199.07529	2.9
201.09138	4.3
202.07861	0.9
203.07004	4.0
203.10675	1.5
205.08528	2.0
209.08086	1.6
213.09006	1.9
215.06969	2.2
215.10675	1.8
217.08488	4.9
219.08226	1.6
219.10170	7.1
221.08089	1.1
222.06837	0.9
225.09113	1.4
229.08580	1.8
231.10150	2.3
232.08751	0.9
233.11690	2.7
234.06534	1.4
235.09683	3.6
237.09018	1.1
241.08533	1.5
243.10211	1.7
245.09573	1.8
247.07457	1.3
248.08450	2.3
249.09059	1.8
251.12823	1.1
259.07339	1.3
259.09756	1.9
261.08929	1.3
261.11295	9.5
263.06961	1.2
264.07733	1.1
265.08612	2.4
273.08972	1.1
274.09851	1.2
275.06952	1.0
275.10330	1.3
276.07755	1.4
277.08484	2.7
278.09192	1.2
279.12372	2.4
281.08151	1.4
290.09393	1.2
291.10153	2.2
293.08203	1.2
294.08694	1.0
296.10428	1.0
297.11258	2.7
297.24197	1.6
299.12582	3.0
303.10135	1.4
305.08624	1.2
305.11472	4.9
307.09659	1.8
308.10275	1.9
309.11295	4.7
311.12646	4.4
313.14270	1.2
317.11618	1.8
319.09723	1.0
320.10370	1.0
321.11255	1.7
323.12625	2.6
325.14322	1.6
328.12659	0.9
335.12717	3.3
337.10782	1.0
337.14249	3.9
339.12372	0.9
341.13724	2.2
343.15387	3.3
347.12741	1.5
349.14227	2.3
351.12262	1.3
353.13843	2.6
355.15594	6.1
357.16727	1.6
363.15869	1.2
365.13794	1.4
367.15405	8.7
379.15482	1.3
381.16827	1.7
385.16525	1.5
391.15604	1.0
397.16357	1.2
405.16940	1.6
423.17822	3.7
441.18896	1.1
459.19675	1.9
459.26431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01868	6.7
56.96560	1.2
57.03429	16.3
59.04981	1.9
61.02633	1.3
61.02922	15.8
63.65914	0.8
65.20975	0.7
67.05483	1.8
69.03423	31.6
71.01324	3.1
71.04961	2.6
73.02909	63.6
74.02422	1.2
76.45104	0.9
81.03427	6.5
81.07036	2.0
83.01349	1.0
85.02897	100.0
87.04443	4.6
88.03982	1.1
91.03951	4.2
91.05431	0.9
93.07027	1.1
95.08588	1.5
97.02884	54.1
98.21523	1.7
99.04462	4.0
101.02399	1.1
103.03903	3.3
105.10738	0.8
107.08572	1.4
109.02863	8.2
109.10098	1.1
115.03919	25.6
121.06483	1.3
122.63127	0.8
127.03902	32.7
132.06551	1.0
133.04948	32.0
133.10042	1.0
145.04942	47.5
150.07629	2.7
151.11168	0.9
153.01770	1.1
163.03883	0.9
163.05991	17.9
193.04941	1.8
199.05904	1.3
204.08748	0.9
217.06979	1.5
223.06075	4.1
241.07013	5.4
241.17934	1.4
259.08078	5.4
277.43228	0.8
397.22409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.7
57.07070	16.9
57.12460	1.4
58.06580	1.6
67.05485	2.6
70.06593	15.0
71.08633	9.8
71.33630	3.2
73.02902	2.4
81.07027	4.2
83.08601	3.2
85.10179	2.2
88.07620	22.0
89.06068	1.8
95.08591	6.2
97.10166	2.3
102.09174	13.2
109.10122	2.1
123.68764	1.4
152.56496	1.8
156.17432	1.5
164.93610	1.7
200.20067	60.5
205.23128	1.5
218.21190	6.8
283.26306	60.6
284.26825	2.2
284.87006	1.4
359.62643	1.6
456.44083	100.0
457.34607	2.2
457.44260	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	459.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09943	0.7
55.01860	1.7
55.05500	1.5
56.96532	1.0
57.03427	1.6
67.05492	3.2
68.65427	0.7
69.03413	2.4
69.07056	1.1
70.50805	1.7
70.51204	2.1
71.04964	1.8
73.02916	4.0
79.05479	3.7
81.03401	1.3
81.07031	3.0
83.04971	1.2
84.08106	1.0
84.70229	0.7
85.02876	2.9
86.09687	1.1
91.05479	6.5
93.07037	3.8
94.04170	2.5
95.04940	2.2
95.08613	5.5
95.09128	0.8
97.02871	1.6
99.04427	1.5
103.05437	2.5
105.07007	3.6
107.04962	1.7
107.08577	1.9
109.02882	1.5
109.06528	2.1
111.04412	2.1
115.05426	5.2
117.05419	1.1
117.07001	3.3
119.04911	3.5
119.05679	0.8
119.08562	2.2
121.06489	3.2
121.10128	1.4
122.03635	9.7
123.08057	3.3
128.06230	2.1
128.11699	0.8
129.07016	4.0
130.07782	1.1
131.04926	5.5
131.08556	0.9
133.06485	1.6
135.08040	1.9
137.05969	100.0
138.06198	0.9
141.06961	1.5
143.04916	3.7
145.02895	0.9
145.06473	3.2
145.10081	1.0
147.04381	3.0
147.08003	0.9
149.05965	1.9
149.09628	1.3
151.03899	2.1
151.07535	18.2
153.01836	2.8
153.06967	1.8
155.08508	1.7
157.06436	2.5
157.10127	1.0
159.08038	1.6
160.05170	3.0
161.05960	7.5
161.09656	1.6
162.03177	1.1
163.07538	6.7
165.05542	0.8
165.06946	1.7
165.09094	3.6
167.07053	1.5
167.10640	0.9
168.05760	0.8
169.06529	1.0
171.08014	1.3
173.05965	1.3
173.09633	1.3
174.06712	2.4
175.07544	21.1
177.05400	6.8
177.09085	5.1
179.06981	2.6
181.06480	1.3
183.08028	1.5
185.09616	1.1
187.07518	3.8
189.05473	1.5
189.09033	7.4
190.06201	1.2
191.07004	6.1
191.10623	2.7
193.08595	2.0
195.10146	15.7
197.09663	1.1
199.07529	2.9
201.09138	4.3
202.07861	0.9
203.07004	4.0
203.10675	1.5
205.08528	2.0
209.08086	1.6
213.09006	1.9
215.06969	2.2
215.10675	1.8
217.08488	4.9
219.08226	1.6
219.10170	7.1
221.08089	1.1
222.06837	0.9
225.09113	1.4
229.08580	1.8
231.10150	2.3
232.08751	0.9
233.11690	2.7
234.06534	1.4
235.09683	3.6
237.09018	1.1
241.08533	1.5
243.10211	1.7
245.09573	1.8
247.07457	1.3
248.08450	2.3
249.09059	1.8
251.12823	1.1
259.07339	1.3
259.09756	1.9
261.08929	1.3
261.11295	9.5
263.06961	1.2
264.07733	1.1
265.08612	2.4
273.08972	1.1
274.09851	1.2
275.06952	1.0
275.10330	1.3
276.07755	1.4
277.08484	2.7
278.09192	1.2
279.12372	2.4
281.08151	1.4
290.09393	1.2
291.10153	2.2
293.08203	1.2
294.08694	1.0
296.10428	1.0
297.11258	2.7
297.24197	1.6
299.12582	3.0
303.10135	1.4
305.08624	1.2
305.11472	4.9
307.09659	1.8
308.10275	1.9
309.11295	4.7
311.12646	4.4
313.14270	1.2
317.11618	1.8
319.09723	1.0
320.10370	1.0
321.11255	1.7
323.12625	2.6
325.14322	1.6
328.12659	0.9
335.12717	3.3
337.10782	1.0
337.14249	3.9
339.12372	0.9
341.13724	2.2
343.15387	3.3
347.12741	1.5
349.14227	2.3
351.12262	1.3
353.13843	2.6
355.15594	6.1
357.16727	1.6
363.15869	1.2
365.13794	1.4
367.15405	8.7
379.15482	1.3
381.16827	1.7
385.16525	1.5
391.15604	1.0
397.16357	1.2
405.16940	1.6
423.17822	3.7
441.18896	1.1
459.19675	1.9
459.26431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78880	0.4
56.88428	0.4
58.11963	0.4
62.76562	0.4
62.98244	1.4
69.79202	2.7
78.40070	0.6
78.95618	1.1
80.53056	0.4
80.94821	1.1
94.93013	1.4
96.92213	4.3
98.91943	2.8
104.99263	0.6
112.89594	90.8
114.89331	8.6
116.89096	0.7
154.96965	0.5
167.97502	0.4
170.94290	3.3
174.69170	0.5
180.90413	1.0
182.94554	0.6
200.97430	0.8
216.94879	1.4
232.92311	1.1
237.03217	0.5
246.78438	0.5
248.89450	0.6
255.00392	0.5
274.90668	1.0
274.95386	1.7
276.90350	0.6
290.88080	1.0
292.90463	1.3
299.01392	0.6
359.05261	0.4
381.07767	0.8
394.93491	0.7
412.93744	0.7
455.11588	100.0
456.11905	4.8
470.10419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38574	0.6
56.96552	3.2
58.86452	0.6
70.06593	1.0
71.59178	1.2
78.84904	0.6
79.01852	2.2
81.03431	1.2
84.08173	0.8
84.96019	0.7
85.34370	0.6
91.05465	0.9
97.02964	0.6
98.97581	1.4
103.27507	0.6
105.89466	0.7
106.23337	0.6
108.33244	0.7
109.02865	1.4
112.11211	1.1
116.98596	1.3
127.03911	0.8
129.13811	0.7
136.09142	0.7
141.15007	0.7
143.03377	2.9
145.02914	1.1
146.99637	2.0
147.04424	1.3
153.01820	20.1
153.02921	1.1
154.02155	1.8
158.99712	1.0
161.01192	1.1
170.95100	0.7
170.99557	1.0
175.04002	0.7
177.05524	1.2
179.03754	0.8
196.09384	1.0
197.04861	1.3
207.06479	1.4
216.61044	0.6
219.01718	1.5
221.04945	0.8
224.47144	0.8
226.98671	1.9
237.02818	2.4
244.99683	1.9
263.00705	2.3
293.14706	2.3
303.01382	1.3
307.87875	0.7
323.07944	2.1
339.00952	0.9
341.09058	3.3
394.99457	1.5
395.99600	0.7
455.13062	100.0
456.13611	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	455.3515
Annotation	Krukovine A
Peak:m/z	Relative Intensity
51.45609	3.0
55.05489	4.2
67.05495	9.1
69.04050	2.5
69.07053	9.0
69.92237	15.2
70.77175	2.3
79.05486	8.5
81.07040	19.0
83.08601	4.1
91.05470	5.3
93.07026	16.5
93.47697	2.3
95.04961	3.0
95.08599	15.2
105.07022	11.6
107.08585	25.2
109.10165	11.8
114.12892	2.4
117.07006	2.9
119.08572	27.9
120.81165	2.5
121.06499	5.5
121.10139	12.4
123.11702	5.3
125.05972	6.9
131.08568	5.1
133.10106	28.6
135.08037	5.0
135.11673	25.9
137.09660	2.6
137.13196	2.4
139.07562	4.8
145.10117	15.7
147.11661	17.2
149.09628	3.7
149.13290	4.0
155.18501	2.4
159.11707	8.9
161.09683	5.5
161.13310	5.7
163.14766	4.9
173.09636	9.6
173.13316	3.4
175.11195	8.4
175.14813	2.9
177.09097	4.9
187.11172	13.2
187.14844	7.5
189.16367	46.8
191.10716	4.8
197.13245	6.5
205.15880	4.8
207.17403	100.0
215.14197	17.9
229.15854	87.1
231.17467	12.0
233.15344	35.9
243.17473	5.2
247.16905	30.9
283.20416	5.7
419.33118	3.8
437.34027	38.2
455.35229	88.9
456.35272	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	455.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38574	0.6
56.96552	3.2
58.86452	0.6
70.06593	1.0
71.59178	1.2
78.84904	0.6
79.01852	2.2
81.03431	1.2
84.08173	0.8
84.96019	0.7
85.34370	0.6
91.05465	0.9
97.02964	0.6
98.97581	1.4
103.27507	0.6
105.89466	0.7
106.23337	0.6
108.33244	0.7
109.02865	1.4
112.11211	1.1
116.98596	1.3
127.03911	0.8
129.13811	0.7
136.09142	0.7
141.15007	0.7
143.03377	2.9
145.02914	1.1
146.99637	2.0
147.04424	1.3
153.01820	20.1
153.02921	1.1
154.02155	1.8
158.99712	1.0
161.01192	1.1
170.95100	0.7
170.99557	1.0
175.04002	0.7
177.05524	1.2
179.03754	0.8
196.09384	1.0
197.04861	1.3
207.06479	1.4
216.61044	0.6
219.01718	1.5
221.04945	0.8
224.47144	0.8
226.98671	1.9
237.02818	2.4
244.99683	1.9
263.00705	2.3
293.14706	2.3
303.01382	1.3
307.87875	0.7
323.07944	2.1
339.00952	0.9
341.09058	3.3
394.99457	1.5
395.99600	0.7
455.13062	100.0
456.13611	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	454.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
54.55446	0.7
54.57203	0.6
56.05035	0.7
61.01142	0.8
69.03423	3.7
71.59496	1.4
73.02902	0.9
79.01842	1.7
81.03396	6.6
85.02884	4.6
85.06526	0.9
88.03975	0.8
95.04945	1.1
95.08636	0.8
97.02880	4.6
99.04418	0.8
100.11219	1.1
104.05336	0.9
105.07018	1.4
107.01273	2.1
109.02859	5.1
113.05976	0.9
118.73116	0.7
121.06550	0.7
121.10146	0.9
125.02364	3.4
125.23956	0.6
127.03902	9.4
127.91090	0.6
133.10062	0.8
142.12273	0.8
143.03362	5.9
145.04886	1.8
147.04407	0.9
153.01810	100.0
154.02147	1.1
171.02852	13.8
181.23880	0.6
204.30396	0.7
230.54056	0.6
233.13556	0.9
259.69370	0.7
297.06018	8.7
315.07047	16.8
333.05942	0.8
334.35312	0.7
394.18008	0.7
454.21396	1.5
454.34238	2.1
455.22513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01860	9.0
55.05487	3.6
56.96554	2.6
57.03433	17.8
57.07060	2.4
59.04994	2.4
61.02920	18.1
65.48391	1.5
67.05497	3.2
69.03419	36.4
69.07057	14.9
71.01333	6.0
71.04972	8.2
71.08567	1.4
71.29568	1.9
71.29919	1.8
73.02906	82.1
81.03411	9.1
81.07043	5.3
83.04977	2.7
83.08615	5.3
83.46957	1.3
85.02893	100.0
85.06569	1.3
87.04450	3.8
91.03941	4.3
91.05474	5.3
93.07026	4.8
95.04922	2.8
95.08578	4.0
97.02876	60.6
97.06513	2.5
97.10191	1.6
99.04425	4.1
103.03934	3.5
105.07037	4.0
107.08536	1.9
109.02834	7.3
109.06501	2.6
109.10166	2.9
111.04430	1.6
115.03915	30.8
119.08560	3.0
121.10143	1.6
123.11697	2.1
127.03897	31.0
133.04927	33.0
133.10121	2.1
139.07524	4.1
139.11168	1.6
143.14432	1.3
145.04939	47.7
145.85422	1.5
147.11678	1.8
150.07608	5.4
151.07581	1.9
153.01802	3.2
153.12747	3.5
161.05969	1.6
163.05998	16.9
167.07010	2.0
169.10176	1.6
181.04997	1.7
193.05038	2.7
199.06088	1.5
221.15343	2.3
223.06024	6.0
239.16476	2.3
241.07001	6.7
248.94124	1.6
251.16370	1.7
257.17471	3.7
259.08188	6.1
269.17596	2.0
285.09918	1.7
292.19324	1.8
293.08353	3.0
295.10110	1.9
305.19608	2.3
407.12219	1.7
416.13177	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	454.2924
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05500	2.4
57.03429	4.2
57.06781	0.9
57.07068	20.7
62.06083	24.0
62.06411	1.2
67.05492	4.6
69.07063	3.8
71.08626	14.9
73.28878	0.5
79.05475	0.7
81.07053	5.4
83.08615	3.9
85.10168	8.0
89.06025	0.8
95.08595	8.5
97.10165	1.7
98.98459	5.6
100.45992	0.5
109.10146	4.1
111.11713	0.6
119.08633	0.5
123.11692	1.2
124.01551	1.0
129.98811	0.5
137.13347	0.7
142.02612	1.1
144.22041	0.5
155.01022	5.8
163.54178	0.5
173.02058	0.7
178.23840	0.5
198.05280	1.2
216.06337	2.6
225.09126	0.7
239.23694	2.3
250.60489	0.7
256.26315	0.9
257.24759	0.6
280.74908	0.5
282.27887	11.3
313.27332	100.0
314.27563	2.2
350.79083	0.5
393.24026	5.3
436.28061	1.9
454.28796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01863	1.3
56.96560	0.7
57.03434	3.8
61.02919	4.9
64.13512	0.7
65.03939	1.0
67.05497	4.5
69.03426	17.1
69.07045	1.0
70.06580	1.9
71.04972	1.5
71.60023	1.3
72.08142	1.4
79.05474	2.1
81.03413	5.0
81.07052	1.9
82.13863	0.7
84.08121	1.0
85.02898	17.7
87.04449	2.6
91.05439	1.1
94.06564	2.7
95.04942	3.4
96.03958	0.7
96.04472	4.3
97.02890	9.0
98.21049	0.8
99.04425	1.7
100.52013	0.9
101.02314	0.9
106.06544	0.8
107.04957	1.8
107.08573	1.9
108.04457	2.4
109.02825	2.2
109.06568	0.9
110.06030	2.7
110.07147	3.4
113.05978	1.2
116.07104	0.9
122.05997	1.4
123.43643	0.8
124.07567	8.9
125.06019	1.4
125.09613	2.9
127.03910	3.5
128.70287	0.8
129.13855	1.4
132.04410	0.7
133.06601	0.9
134.06006	3.5
136.03918	2.6
136.06305	0.7
136.07573	1.6
137.02321	1.0
138.05464	1.5
138.09158	1.1
140.07072	1.2
141.05475	6.3
142.07779	1.0
144.08098	0.9
145.04973	1.1
145.10040	0.9
146.06000	0.9
148.07549	1.0
150.05490	3.9
150.09081	0.9
152.07039	9.2
153.01828	3.2
154.02095	0.9
154.04965	2.7
157.08862	1.5
158.09700	1.0
160.03961	1.5
160.07632	1.3
160.67422	0.8
162.09113	1.3
164.06995	1.4
165.05484	0.8
168.06541	6.6
171.27888	0.8
172.11189	1.8
173.09628	1.2
174.09029	1.4
175.03932	0.8
175.09856	1.5
176.07030	1.9
176.10661	1.4
177.05486	2.4
178.04982	3.9
178.08575	2.6
185.08293	2.0
185.09804	0.9
186.09149	1.5
188.10661	1.5
190.08653	2.2
190.12245	3.6
196.06027	14.9
199.98671	2.9
200.07018	1.1
200.10674	10.4
201.09142	1.9
202.08800	0.9
204.06601	1.0
204.10165	2.2
207.06532	1.4
213.07887	1.5
216.10207	2.1
218.08116	2.4
218.11749	8.8
228.10188	19.9
229.08553	6.3
229.10612	1.5
230.08182	1.0
230.11633	1.0
232.09749	2.9
234.11281	2.7
244.11710	1.2
246.11215	21.0
256.09525	4.2
257.08060	1.7
262.10712	6.5
274.10690	57.3
275.11237	1.5
276.12177	1.0
291.13394	4.8
292.11649	100.0
293.12073	2.6
380.01129	0.8
408.00470	1.6
454.01019	2.0
454.18304	1.3
454.30142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01849	0.8
55.05495	1.0
56.51177	0.7
56.96546	0.8
57.03421	1.5
58.27328	0.7
59.37303	0.8
61.02912	1.5
65.03905	0.9
66.92947	0.9
69.03424	7.3
70.06568	1.0
71.58932	1.2
72.08142	4.5
73.02908	0.9
74.04491	0.7
79.15228	0.8
81.03391	2.3
83.01331	1.0
84.04510	0.8
84.08119	2.4
85.02892	10.2
86.09734	0.8
87.04462	1.1
93.76463	0.8
94.06530	0.9
95.12690	0.7
97.02890	4.0
108.04443	0.8
109.02831	1.5
110.05995	1.4
110.07156	1.2
111.04355	0.8
112.11221	2.6
113.11547	0.9
119.04913	1.0
120.08092	3.9
122.06050	1.7
124.07568	3.7
127.03921	1.1
129.13840	1.0
136.03909	1.5
137.02327	1.4
138.09079	4.1
140.07033	3.3
145.02815	2.3
147.04425	1.8
147.80182	0.9
152.07025	1.7
153.01776	2.3
154.04945	4.7
154.08556	3.7
174.09052	0.9
176.10677	1.4
177.05415	3.8
186.09099	0.9
188.10712	1.5
196.06035	1.2
200.10683	3.4
203.08122	0.9
203.11751	1.4
205.11824	1.2
207.06509	0.9
212.09338	1.3
215.11720	1.0
216.10318	1.8
217.09727	0.9
217.13292	1.6
218.11739	2.0
226.07402	1.0
227.08098	2.8
227.11662	2.0
228.10223	10.3
230.10352	0.9
231.11349	2.1
241.09714	1.7
242.10489	4.9
243.11189	5.9
244.12097	2.4
245.12799	8.6
246.11287	6.1
251.03441	0.9
255.11331	3.8
256.09665	1.8
260.11572	1.1
273.12280	12.5
274.10675	5.5
291.13351	100.0
292.11676	2.6
323.01968	1.5
363.00894	1.6
379.00757	3.6
401.78497	0.9
407.00418	3.7
453.00833	11.5
453.18317	1.7
454.01138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01856	0.5
56.39023	0.4
57.03424	1.1
61.02895	1.2
65.03918	0.7
69.03080	0.4
69.03420	6.1
71.58795	0.7
72.08147	3.2
73.02908	1.3
73.25079	0.4
81.03397	2.0
83.04986	0.5
84.08097	0.7
85.02895	8.0
86.09688	0.6
87.04451	1.0
89.03952	0.4
91.03943	0.6
93.03395	0.8
94.06554	0.8
95.04961	0.6
96.08119	0.8
97.02866	3.4
99.04430	0.8
106.06458	0.5
109.02833	1.5
110.06015	0.6
112.07564	0.5
112.11231	1.6
120.08113	2.8
120.09726	0.4
121.06506	0.5
121.86867	0.5
122.06029	1.4
124.07570	3.0
127.03914	1.7
129.95047	0.5
134.05965	0.5
136.03900	2.0
136.07555	0.8
136.19374	0.4
137.02312	1.5
138.05516	0.8
138.09131	5.8
140.07036	3.5
145.02832	1.5
145.04944	0.7
146.05969	0.6
147.04395	0.6
150.05505	0.7
152.07062	1.2
153.01793	1.4
154.04980	5.9
154.08611	3.4
160.07533	0.7
162.09209	0.6
164.06989	0.6
168.06570	1.0
172.11206	1.1
174.09119	0.6
175.08565	0.6
175.12337	0.7
176.10699	1.0
177.05502	2.2
178.04968	0.7
184.10013	0.4
185.08353	0.8
186.09155	1.1
188.10774	1.0
189.13892	0.6
190.12213	0.9
196.06073	1.7
199.12219	0.6
200.07111	0.5
200.10780	2.9
203.11847	1.0
205.11754	0.6
209.07039	0.5
210.09125	0.8
212.09468	1.3
213.08032	0.7
213.10085	0.9
214.07185	0.5
215.08041	0.8
215.11859	1.1
216.10152	1.4
217.09584	0.6
217.13248	2.0
218.11714	1.4
221.12871	0.6
226.07304	1.2
227.08176	2.5
227.11674	2.2
228.10201	11.5
229.10968	0.8
230.10272	0.5
231.11313	1.8
232.12019	0.6
240.08763	0.6
241.09743	1.4
242.10464	3.2
243.11195	5.3
244.09932	0.5
244.12163	2.6
245.12796	7.0
246.11182	4.7
255.11240	4.3
256.09708	1.1
260.11591	0.8
261.12268	1.3
263.13870	1.1
268.53287	0.4
273.12305	10.4
274.10712	5.1
279.02777	0.6
291.13354	100.0
292.11777	1.6
307.02463	0.8
323.01825	1.2
363.01233	0.8
379.00824	1.8
407.00296	2.1
453.00861	6.8
453.18311	1.6
454.00992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01852	0.7
55.05486	0.5
57.03415	1.1
61.02907	1.2
63.37101	0.4
63.80916	0.3
65.03906	0.4
67.05477	0.4
69.03123	0.4
69.03424	4.7
69.07054	0.5
70.85343	0.7
70.85665	0.4
71.04976	0.7
72.12253	0.3
73.02893	1.0
79.05477	0.7
81.03398	1.5
82.75194	0.3
83.01314	0.4
85.02898	7.7
87.04449	1.1
90.69287	0.3
93.03401	0.7
93.07014	0.4
95.04983	0.7
95.18941	0.3
96.08107	0.8
97.02884	3.4
99.04470	0.5
100.11259	0.6
108.04464	0.7
109.02874	1.5
110.06036	0.9
122.06012	1.7
124.07622	2.2
127.03902	0.9
131.85890	0.4
134.06023	0.6
136.03960	2.2
136.07559	1.1
137.02332	1.4
138.05428	0.5
138.09132	4.8
140.07051	4.1
145.04927	0.8
150.05489	0.9
152.07053	1.5
153.01801	1.3
154.04956	4.7
154.08606	2.9
154.63974	0.4
158.09590	0.5
160.07622	0.8
168.06520	0.6
172.07539	0.5
172.11133	1.0
174.09125	0.5
178.04987	0.8
184.09952	0.4
185.08316	0.7
187.09956	0.4
188.10715	0.9
190.12195	0.6
196.06053	1.3
199.08658	0.4
200.06966	0.5
200.09276	0.5
200.10747	3.5
203.11758	0.6
209.07289	0.4
210.09163	0.4
212.09383	1.0
213.10255	0.5
215.08084	0.6
215.11806	1.2
216.10226	1.1
217.13368	1.6
218.11711	0.8
219.09465	0.4
227.08211	2.5
227.11784	1.7
228.06676	0.5
228.08191	0.6
228.10214	11.1
229.10982	0.8
231.11253	1.1
241.09656	1.3
242.10480	3.5
243.11298	5.5
244.11996	2.0
245.12816	7.6
246.11215	4.8
252.17723	0.4
255.11308	3.6
256.09641	1.4
257.12726	0.5
260.11526	1.6
261.12387	1.8
263.13873	0.8
273.12280	10.1
274.10672	4.7
278.10324	0.4
291.13364	100.0
292.13608	2.0
298.18100	0.4
407.00485	0.4
434.99969	0.6
453.00882	1.6
453.18015	3.2
453.33719	0.4
476.18826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01851	1.1
57.03439	2.1
61.02920	2.2
61.65586	0.6
65.03915	0.8
69.03074	0.5
69.03421	5.5
69.07025	0.6
69.83614	2.1
71.04972	0.8
73.02892	1.0
74.02437	0.8
81.03406	2.7
83.33805	0.4
85.02892	7.8
87.04443	1.0
88.03984	1.9
91.03931	0.7
93.03373	0.9
94.06563	0.7
95.04906	0.5
96.08105	0.5
97.02885	3.5
99.04441	1.0
103.05449	0.5
107.04879	0.5
109.02842	1.7
110.06007	1.1
112.07598	0.9
116.03406	0.6
120.08106	0.5
122.06006	1.0
124.07539	2.5
127.03918	2.1
130.06512	27.7
131.06813	0.9
134.04480	6.3
134.05975	0.5
136.03883	1.4
136.07530	0.9
137.02316	1.6
138.09116	4.3
140.07033	3.3
143.07260	0.9
144.08063	9.2
145.04892	0.7
147.04321	0.4
150.05449	1.0
152.07069	1.1
153.01865	2.0
154.04977	4.9
154.06279	0.7
154.08586	2.6
155.02191	0.4
158.05962	0.6
160.03793	0.5
168.06584	0.9
168.07913	0.7
170.05959	0.9
172.07530	11.4
172.11218	1.4
174.09183	0.5
178.04921	0.5
182.09598	0.5
186.09070	0.8
188.10736	1.0
190.12257	0.6
196.05971	1.5
199.08597	0.6
200.07045	0.4
200.10799	3.1
203.11670	1.0
212.09418	1.2
213.07887	1.2
213.10127	1.2
215.08170	0.7
215.11758	1.7
216.10289	1.0
217.01321	0.9
217.13383	1.1
218.11711	1.7
226.07309	0.8
227.08226	3.3
227.11642	2.4
228.10202	10.4
229.11191	0.7
231.11209	1.5
232.12001	1.0
233.12839	0.9
238.08644	0.7
240.08841	0.5
241.09708	2.1
242.10406	4.2
243.11246	5.9
244.11977	3.0
245.12808	8.0
246.11183	5.4
255.11234	3.4
256.09567	2.1
257.12683	0.5
260.11496	1.1
261.12369	1.5
263.13879	0.8
273.08966	0.8
273.12289	13.8
274.10684	6.3
275.14041	0.7
289.44888	0.6
291.13330	100.0
292.11459	2.2
309.02466	0.6
323.01764	0.6
333.10742	1.8
368.14026	0.5
379.00647	0.7
407.00214	1.6
434.99722	0.6
453.00839	4.1
453.18298	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02557	0.2
57.03423	0.3
61.02909	0.4
65.03928	0.3
67.05480	0.4
69.03417	1.3
71.18599	0.6
79.05488	0.9
80.04995	0.4
81.05793	0.3
85.02888	1.7
91.05468	2.6
93.07033	0.5
94.06551	1.3
96.08117	1.6
97.02877	0.9
103.05453	0.6
104.04956	0.8
105.70960	0.3
106.06523	1.7
108.08094	0.5
116.04940	0.6
117.05740	1.0
118.06522	2.3
119.07307	1.0
120.08093	13.7
122.06042	0.4
122.09651	0.6
124.07577	7.8
126.09109	0.9
127.03881	0.6
131.84700	0.3
134.06007	5.6
136.07541	3.1
138.05487	1.1
138.09108	0.4
145.04878	0.4
146.05946	2.9
147.06775	2.8
148.07561	12.2
150.09158	0.8
152.07042	1.3
164.07051	62.0
165.07652	0.7
166.08606	2.4
172.11194	0.6
182.09605	0.3
200.10756	0.5
214.11020	0.4
215.11839	0.3
215.15387	2.1
216.10178	1.8
226.12248	1.0
228.10179	0.7
229.13260	1.7
239.65433	0.3
243.14926	6.6
245.16435	3.2
253.13403	1.4
254.11798	1.5
271.14389	21.0
287.05344	0.5
288.05792	0.6
289.15433	100.0
290.15750	1.8
319.04187	0.6
451.20578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
53.03947	1.8
53.88803	1.7
55.01852	4.3
57.03414	2.7
57.96635	1.9
61.02913	2.9
63.72428	1.8
68.63303	2.1
68.99761	2.1
69.03432	9.8
69.74123	13.3
70.06553	2.1
73.02885	2.1
79.01808	2.5
79.05488	2.2
81.03401	6.1
83.01313	2.3
85.02894	23.0
87.04416	1.8
87.51355	1.8
91.03948	1.8
91.05457	3.4
93.03371	2.2
97.02885	8.7
98.21410	2.7
109.02862	6.7
111.04407	2.5
119.04948	10.7
120.08098	2.5
123.04408	50.5
127.03889	3.8
139.03883	100.0
140.07101	3.1
145.04984	2.0
147.04376	28.8
151.03871	7.5
153.01808	18.8
161.05972	2.8
163.03859	9.9
165.05447	13.7
177.05443	2.5
181.04927	4.4
186.08826	2.0
187.22078	1.9
189.01857	2.2
191.03348	3.4
193.29959	2.1
205.04988	5.2
207.06418	2.7
213.01537	1.8
217.01248	4.8
228.10310	2.2
235.02364	2.6
235.06070	2.7
243.11427	2.6
245.12860	2.9
246.11212	2.0
247.06041	2.6
273.12329	4.8
275.01852	2.8
277.03278	4.2
291.08578	20.7
291.13281	31.2
291.37546	1.9
303.01367	13.5
309.02451	5.2
323.02097	2.7
331.78302	2.1
339.07581	2.0
355.04749	2.2
361.00412	2.2
363.01251	2.8
379.01013	4.7
393.02924	2.1
407.00409	5.9
434.99390	2.7
453.00836	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	451.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06512	0.4
57.03424	0.7
61.02908	1.5
68.99779	1.4
69.03414	0.5
69.98497	0.5
70.13114	1.9
71.01324	0.5
71.04980	0.5
73.02908	14.9
79.01855	0.6
81.03413	0.6
85.02888	0.9
96.63312	0.4
97.02847	0.7
109.02856	1.7
111.00774	2.5
115.03851	1.0
120.08121	0.8
121.02829	0.5
122.77834	0.4
126.47166	0.4
127.03917	0.6
136.07491	0.6
137.02316	2.0
139.03862	0.5
147.04369	0.5
153.01807	11.1
164.07037	0.5
165.01866	3.3
166.02588	0.7
179.03355	1.5
183.02818	1.5
184.34161	0.4
189.05360	0.9
195.02869	0.8
203.03279	0.6
207.02800	0.4
217.04903	3.9
227.03410	0.7
229.05048	0.5
235.02371	0.6
245.04446	4.9
255.02861	0.8
263.05518	0.9
271.02045	0.4
271.14474	0.9
273.03894	5.1
289.15347	1.0
290.04236	0.5
301.03424	1.1
304.05130	0.4
305.05441	1.0
319.04443	100.0
320.04819	2.6
329.02875	1.0
343.04355	0.6
402.79214	0.4
415.06540	0.7
451.09622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0867
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
51.29176	0.2
57.03143	0.3
57.03431	5.5
61.02924	1.9
68.99775	1.3
69.03413	0.8
69.87222	0.6
69.87634	0.6
71.01322	0.2
73.02912	13.1
73.18407	0.2
76.30545	0.2
81.03419	0.3
85.02898	1.0
95.01311	0.2
97.02868	0.6
109.02864	1.1
111.00795	2.0
111.04418	0.4
115.03911	1.1
121.02905	0.3
125.02314	0.2
127.03896	0.4
131.70180	0.3
134.51418	0.2
137.02328	2.0
147.04425	0.2
149.81215	0.2
152.72937	0.2
153.01814	10.1
153.05370	0.3
165.01833	3.9
166.02618	0.4
177.05441	0.4
179.03366	1.7
183.02866	1.2
189.05492	1.0
191.03406	0.3
195.02904	0.8
199.03923	0.4
203.03407	0.7
207.02873	0.4
217.04922	3.4
219.02977	0.3
221.04483	0.4
227.03348	0.3
231.02872	0.4
232.03615	0.3
235.02509	0.3
244.03615	0.4
245.04445	5.2
255.02867	0.7
257.43961	0.3
263.05496	0.9
273.03925	5.1
290.04245	1.2
301.03479	1.4
319.04453	100.0
320.04773	2.7
451.08630	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	451.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51998	1.2
65.08562	1.1
69.85255	7.3
73.90553	1.2
132.50743	1.2
162.05757	1.3
180.54697	1.1
292.78656	1.3
391.03281	1.5
392.24847	1.1
403.82117	1.2
449.88654	1.6
451.04816	100.0
452.05307	3.0
459.72305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40831	1.0
71.14016	1.7
76.47733	1.0
78.75262	0.8
80.12204	1.0
100.66502	1.2
204.69623	1.1
220.07614	1.0
258.50415	0.9
354.23819	1.2
451.04816	100.0
452.05157	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0865
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
57.03426	7.3
57.50757	0.6
61.02910	1.3
67.01891	0.7
68.99779	1.5
69.03410	0.7
70.83351	0.8
70.83684	1.2
73.02906	14.3
109.02876	1.0
111.00805	2.8
115.03874	0.8
121.02879	0.6
128.16310	0.6
137.02313	2.5
139.03908	0.9
153.01811	13.2
165.01825	3.4
179.03398	1.9
183.02896	1.5
189.05423	0.7
195.02835	0.7
203.03362	1.4
209.51981	0.7
217.04884	5.2
245.04427	5.1
255.02826	1.0
273.03854	4.1
290.04041	1.7
301.03397	1.5
319.04449	100.0
320.04788	2.9
329.02991	0.8
330.07028	0.7
385.05453	0.7
426.72150	0.7
451.11130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.9
57.03431	57.5
57.07070	48.9
67.05499	17.4
67.61530	1.9
69.07079	9.8
71.08619	28.4
71.59277	2.1
71.59716	2.5
71.66834	1.9
79.05488	3.0
81.07041	18.9
82.88124	1.9
83.08608	12.1
85.10181	14.4
91.05457	2.1
93.07018	2.6
95.08587	22.7
97.10163	5.4
98.98456	87.7
107.08624	3.2
107.19337	2.0
109.10157	12.2
111.11648	1.9
116.99479	6.4
123.11742	4.1
125.47042	2.3
136.99969	78.2
140.01057	2.1
155.01015	100.0
161.33252	2.0
170.14093	2.0
178.02737	2.1
193.02602	14.5
211.03621	15.6
223.48019	2.1
235.46844	2.4
239.23694	7.3
302.03790	2.9
313.27335	68.4
314.27576	2.5
332.20663	2.2
344.86765	2.0
449.11066	2.6
449.26550	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.3
55.05492	5.4
56.96548	7.5
57.03416	7.4
63.76526	4.6
67.05488	9.9
69.03408	6.6
70.06577	7.4
71.04974	21.0
71.59502	4.8
71.59883	8.0
73.02908	14.5
78.30537	4.3
79.05492	15.1
81.07050	31.1
83.04977	8.3
85.02872	29.1
85.06515	5.3
85.87865	4.4
86.09710	8.4
91.05457	14.7
93.07034	40.0
95.04969	15.3
95.08606	24.5
97.02859	11.0
97.06507	12.8
99.04433	15.5
99.05026	4.6
105.07029	22.4
107.04919	7.5
107.08605	24.9
108.04459	6.9
109.02882	6.7
109.06499	25.4
109.10152	9.8
119.08556	17.9
121.02848	10.4
121.06487	45.4
125.05948	6.2
127.07545	10.7
130.58972	6.5
131.08524	6.1
133.10124	13.3
135.04376	6.6
135.08043	9.2
137.02359	5.1
137.05940	10.0
139.07533	12.2
143.07104	5.8
143.08562	9.0
147.11696	30.7
153.01848	20.1
157.08623	5.3
157.10089	16.0
161.13184	8.5
165.12726	13.7
171.11681	12.7
175.11140	13.5
177.05397	7.5
189.12740	18.5
193.12273	14.5
199.11156	14.9
207.13736	14.4
209.15382	6.0
211.13284	5.6
213.18935	5.2
217.12218	56.1
235.13274	100.0
253.14302	58.6
257.01086	7.9
279.83063	5.5
286.04327	9.3
287.05460	40.6
288.05804	58.2
288.12985	6.1
300.05838	15.2
303.04980	15.5
304.05295	36.2
313.00116	51.4
319.04443	51.5
361.02094	8.6
450.11008	13.7
450.17725	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	449.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05493	1.0
56.96543	0.6
57.03415	1.0
67.05482	0.8
69.03398	1.3
69.07045	1.4
70.48233	0.4
71.04967	0.5
71.59180	0.4
71.59584	0.7
73.02892	1.0
78.64595	0.5
79.05446	0.4
79.38563	0.5
81.07020	1.3
83.04963	0.5
83.08581	0.6
85.02897	2.1
86.09683	1.7
91.05459	1.1
93.07018	0.8
95.04921	0.8
95.08584	1.2
97.02876	1.2
97.06506	0.4
98.97534	0.7
100.11224	1.0
105.06984	1.4
107.08556	1.2
109.02820	0.8
109.10136	0.6
110.03638	0.4
111.04389	0.5
119.08583	1.2
121.10124	0.6
126.88930	0.4
127.03921	0.7
131.08701	0.5
132.90985	0.4
133.06445	0.4
137.02315	1.1
137.05966	0.8
149.05971	0.4
149.13242	0.5
153.01820	4.7
165.01772	0.5
167.06972	0.5
171.74890	0.4
177.05440	1.0
183.09116	0.6
188.10818	0.4
190.02577	0.4
196.11186	0.5
197.10707	0.6
198.11436	2.5
200.04718	0.7
211.08620	1.1
212.09439	1.4
213.10254	1.2
213.13870	2.8
214.12239	5.1
223.12331	0.6
226.10939	4.8
227.11806	2.8
228.04192	1.6
228.12462	0.7
229.04887	0.9
232.09439	0.5
241.09779	3.5
241.13367	7.9
243.14900	0.7
245.04631	0.8
253.13298	0.8
254.10497	0.9
257.04489	0.9
269.12820	69.6
270.13364	2.3
271.10699	1.1
272.11450	6.6
274.04733	3.2
281.15018	0.7
281.65384	1.2
285.12314	1.0
285.15851	1.6
287.05423	1.6
287.13864	100.0
288.14209	1.7
299.05383	2.2
301.03397	7.9
302.04181	32.4
303.04645	2.5
317.06531	52.7
318.06818	2.0
329.06625	0.9
353.06363	0.7
378.12234	0.5
387.18979	1.0
405.19952	2.0
449.10709	15.2
449.16684	0.7
449.21243	2.3
450.11209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01844	1.0
57.03405	0.9
61.02889	0.5
65.03918	0.3
67.01826	0.3
67.05450	0.2
68.99764	1.1
69.03395	0.4
71.11227	0.3
71.11547	0.4
71.32940	0.2
73.02888	0.3
80.42286	0.2
81.03413	1.8
83.99604	0.3
85.02901	2.0
89.03903	0.3
91.05435	0.7
92.99730	0.3
95.04962	0.6
97.02856	0.7
103.03912	0.5
105.03351	0.4
107.04918	0.3
109.02888	1.4
119.04854	0.6
121.02877	1.9
123.00774	0.3
133.02814	0.3
134.03625	0.3
135.04413	4.5
137.02324	8.0
141.01814	2.2
145.02763	0.4
147.04320	0.7
149.02333	1.8
151.03888	0.3
153.01813	1.5
159.04404	0.5
161.02336	3.3
163.03885	3.2
165.01822	14.6
167.03406	3.5
173.02307	0.3
175.03877	0.6
177.01877	1.5
177.05434	0.8
179.03380	1.8
181.04985	1.2
181.06342	0.3
183.02869	8.1
184.61949	0.2
187.03906	1.5
189.01808	0.5
191.03407	2.0
195.02881	2.4
197.00813	0.4
203.03369	1.0
205.04935	1.1
207.02887	0.6
209.04350	0.5
215.03401	0.7
221.04361	0.4
229.04970	0.5
233.04507	0.6
243.02827	0.7
245.04445	1.2
255.06569	1.4
258.05188	0.9
261.03970	0.8
269.08142	0.3
271.06006	1.2
272.06836	1.0
279.06494	0.2
281.04739	0.2
282.05255	0.4
283.05969	8.0
284.06638	0.3
285.04068	0.4
285.65173	0.2
286.04724	3.8
287.05475	6.5
289.03336	0.3
295.05914	1.9
296.06775	0.3
297.04285	0.4
297.07523	8.0
298.07773	0.2
299.05472	100.0
300.06165	10.0
301.06909	0.8
307.05984	0.3
309.07565	1.1
310.04688	0.9
311.05560	11.3
311.09119	2.3
312.05890	0.6
313.03479	0.4
313.06888	3.2
319.05969	0.3
321.07584	2.0
323.05484	2.1
324.06204	1.8
325.03525	1.7
325.07016	20.5
326.07407	0.7
327.04950	1.0
329.06522	65.9
330.06732	1.5
337.06961	3.2
338.07538	0.4
339.05063	0.6
339.08603	15.8
340.08978	0.4
341.06546	0.5
349.07031	3.1
351.04999	0.6
353.06531	39.2
354.06799	1.0
365.06522	11.3
366.06946	0.3
367.08191	2.8
371.07614	0.3
377.06522	9.4
383.07581	20.0
384.07794	0.6
395.07590	20.5
396.08096	0.6
413.08627	19.5
414.09125	0.5
430.16064	0.3
431.09708	9.6
432.10422	0.4
449.10666	2.8
461.05438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Distichin
Peak:m/z	Relative Intensity
55.01850	0.1
55.47194	0.1
55.91697	0.1
57.03428	0.9
61.02895	0.2
66.01033	0.1
66.71386	0.1
67.38301	0.1
68.99773	0.1
69.03372	0.1
69.57669	0.8
71.01313	0.1
73.02908	1.7
85.02863	0.1
85.56193	0.1
92.02595	0.2
93.03337	0.1
97.02834	0.1
98.21502	0.2
110.03636	0.8
120.01983	0.1
121.02848	0.1
121.82016	0.1
126.03152	0.1
137.02318	1.9
137.03354	0.1
150.03026	0.1
153.01823	1.4
163.04005	0.1
165.01822	0.2
166.02609	0.1
193.01265	0.4
200.04684	0.6
203.03354	0.1
204.04163	0.6
215.03358	0.2
217.04912	0.3
218.05719	0.2
228.04138	3.3
228.06383	0.2
229.04922	1.6
231.02835	0.2
244.39717	0.1
245.04420	1.6
246.05128	0.3
256.03610	0.7
257.04425	1.4
271.06146	0.1
273.03937	1.1
274.04688	5.8
275.05048	0.3
285.03900	1.4
289.06970	0.2
301.03394	14.0
302.04169	60.8
303.04480	1.8
313.03088	0.1
317.06516	100.0
318.06851	3.1
449.10748	33.5
450.11057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03938	0.2
53.38186	0.1
55.01860	0.2
55.05486	0.2
57.03416	0.4
60.35378	0.1
61.02919	4.8
67.01831	0.2
67.05410	0.1
68.99777	0.9
69.03411	1.1
69.28162	1.7
70.06563	0.2
71.04951	0.2
72.08126	0.2
73.02900	1.1
79.05497	0.2
81.03403	0.5
83.01304	0.2
85.02421	0.3
85.02896	4.1
86.09686	0.2
91.03949	2.8
97.02880	2.4
99.04449	0.3
101.91842	0.2
103.05451	0.2
105.03368	0.3
107.04943	0.4
109.02856	0.5
111.00794	0.8
115.03829	0.2
120.08083	0.2
121.02841	2.7
127.03873	0.4
133.02878	0.2
135.04398	0.6
135.56197	0.2
137.02313	1.4
145.04921	0.2
145.06496	0.4
147.04398	0.6
153.01813	5.6
157.06462	0.4
161.02399	0.1
161.05872	0.2
162.95612	0.1
164.06975	0.2
165.01820	1.9
171.02872	0.2
171.04396	0.2
177.05385	0.2
183.02879	1.1
185.05972	0.2
189.05298	0.2
197.05963	0.2
213.05426	1.2
213.21985	0.1
229.04967	0.4
231.06516	0.6
241.04910	1.0
255.00145	0.2
258.05280	0.9
259.05948	0.4
269.04398	0.3
270.10950	0.1
286.04785	0.2
287.05460	100.0
288.05774	2.9
299.05429	2.0
300.06296	0.2
303.04901	0.2
311.05472	0.2
325.06842	0.4
329.06403	1.5
339.08588	0.3
353.06479	0.6
383.07529	0.4
395.07498	0.4
413.08746	0.4
431.09644	0.4
449.10797	0.5
449.19659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01868	0.5
68.99792	0.4
69.37373	0.8
69.37769	0.2
71.04978	0.2
81.03414	0.1
85.02879	0.3
89.03922	0.1
96.91390	0.1
116.63167	0.1
117.03323	0.3
120.98297	0.1
121.02863	0.2
129.01849	0.1
132.75095	0.1
135.04402	1.8
137.02336	0.6
153.01811	5.0
161.02356	0.5
165.01840	0.1
171.02888	0.6
179.03362	0.4
185.05908	0.2
200.68634	0.1
203.03346	0.1
213.05467	0.1
227.03293	0.1
231.06711	0.1
241.04927	0.5
259.05835	0.2
262.12790	0.1
263.05383	0.1
269.04419	0.3
275.27145	0.1
287.05469	100.0
288.05811	3.0
299.05515	0.6
303.04892	0.7
329.06290	0.1
416.30731	0.1
449.10751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
57.03424	0.1
61.02897	0.2
67.01821	0.5
68.99759	0.3
69.03380	0.2
69.69919	0.5
69.70330	0.3
70.38145	0.1
76.29404	0.1
85.02882	0.3
85.77164	0.1
89.03848	0.2
97.02900	0.2
98.20836	0.3
99.51543	0.1
117.03320	0.3
120.11815	0.1
129.01796	0.3
135.04399	1.9
137.02296	0.5
147.82976	0.1
153.01814	5.8
161.02299	0.6
171.02870	0.8
179.03447	0.3
207.88058	0.2
213.05429	0.2
223.60486	0.1
231.06506	0.2
241.04866	0.5
259.05972	0.3
269.04370	0.5
274.04620	0.4
286.04788	0.2
287.05457	100.0
288.05804	3.7
299.05704	0.2
302.04208	0.2
317.06482	1.4
321.18213	0.2
329.06711	0.2
449.10764	17.5
450.11267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03916	0.2
55.89235	0.2
57.03414	0.7
58.92014	0.2
60.67238	0.2
61.02919	6.1
68.99785	0.6
69.03414	1.1
71.22370	0.3
71.22702	0.2
73.02894	1.5
75.09640	0.2
79.05476	0.3
81.03393	0.5
84.08125	0.7
85.02419	0.4
85.02896	5.6
86.09696	0.3
91.03945	3.6
97.02876	3.2
99.04459	0.4
99.85942	0.2
105.03362	0.5
107.04924	0.3
109.02853	0.6
111.00790	0.7
115.03904	0.3
118.83514	0.2
120.08084	1.4
121.02838	3.1
127.03904	1.1
128.10706	0.3
129.10229	0.4
130.08626	0.5
133.02818	0.6
135.04318	0.3
137.02339	1.0
145.04953	0.5
145.06488	0.3
147.04369	0.8
147.11288	0.5
153.01802	5.0
153.02977	0.3
157.06447	0.5
165.01859	2.0
166.74986	0.2
171.04459	0.3
183.02885	1.2
185.06001	0.7
197.55331	0.2
213.05396	1.1
231.06503	0.8
241.04849	1.0
258.05255	1.2
259.06009	0.4
273.32864	0.2
287.05466	100.0
288.05814	3.4
299.05508	0.8
329.06555	0.7
449.17892	5.0
449.27286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Quercitrin
Peak:m/z	Relative Intensity
64.78593	1.7
69.03395	1.6
70.93530	5.0
71.04986	26.7
74.61742	1.8
85.02899	26.4
96.81613	1.6
129.05469	5.9
137.02365	2.8
153.01857	3.2
229.04837	3.5
253.31371	1.7
303.04962	100.0
304.05362	2.0
340.71710	1.9
354.91537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Isorhamnetin 3-xyloside
Peak:m/z	Relative Intensity
55.01837	0.2
57.03400	0.4
61.02886	0.4
61.57691	0.2
69.03384	0.2
69.42189	1.2
69.42602	0.4
70.06554	0.6
70.30978	0.2
73.02908	2.9
82.57034	0.2
85.02843	0.5
86.09633	0.2
92.02591	0.3
97.02831	0.2
102.34914	0.2
110.03647	0.9
115.03783	0.2
115.89590	0.2
126.03101	0.2
128.93060	0.2
136.47359	0.2
137.02328	1.7
137.14996	0.1
149.02245	0.2
150.03114	0.2
153.01801	2.0
170.05998	0.3
177.05437	0.2
193.01292	0.4
198.43852	0.2
200.04659	0.9
201.05289	0.3
203.03473	0.2
204.04105	0.6
208.15742	0.2
215.14815	0.2
217.04855	0.3
228.04150	3.0
229.04939	1.7
245.04474	1.3
246.05157	0.3
256.03613	1.1
257.04431	1.7
263.13766	0.2
273.03903	0.9
274.04678	5.9
285.03882	1.8
287.05478	0.6
289.07175	0.4
299.05490	0.4
301.03384	15.0
302.04169	65.8
303.04547	1.6
317.06512	100.0
318.06903	2.7
329.06506	0.2
344.54092	0.2
434.97409	0.2
449.10745	39.3
450.11197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
51.01205	0.8
53.03946	0.8
53.71323	0.8
59.87132	0.9
65.22189	0.8
68.99799	0.9
70.00573	2.0
70.00985	2.8
79.01833	3.9
81.03412	2.1
85.02903	2.5
95.61073	1.1
100.00217	0.8
109.02893	1.2
113.56700	1.0
123.04375	1.1
135.04381	3.4
137.02318	16.6
137.03279	1.7
161.02327	2.7
161.05959	1.1
163.03847	2.3
165.01833	3.8
167.03436	1.5
177.05315	0.9
179.03401	1.6
183.02869	1.4
199.03906	1.3
201.05484	1.1
203.03392	1.0
213.05356	1.0
217.04942	4.0
227.07083	1.3
229.04938	4.4
241.04916	1.4
243.02762	1.7
243.06532	2.2
244.07253	2.0
259.06036	4.3
261.03934	3.5
271.05923	7.7
272.06754	9.9
275.05603	1.0
287.05463	2.5
295.06088	1.6
299.05475	73.6
300.06229	38.8
301.07074	2.0
311.05432	16.5
313.07016	19.6
315.05002	1.1
323.05563	1.2
324.06296	3.4
325.06989	6.4
327.05048	3.0
329.06509	100.0
330.06799	4.1
337.07016	1.0
339.05011	1.8
339.08612	20.9
341.06726	4.2
343.08200	1.4
353.06516	21.9
359.07535	8.3
367.08124	5.4
371.07413	2.1
383.07544	17.2
383.12387	0.8
395.07617	10.9
396.07550	1.2
413.08609	34.9
414.09143	2.1
431.09698	54.8
432.10162	4.7
449.10760	79.1
450.11188	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	449.1071
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
55.01880	0.7
57.03416	0.7
64.54714	0.6
65.03944	0.6
70.65240	0.9
70.65593	1.9
75.76103	0.6
81.03396	1.7
81.48872	0.7
85.02893	1.8
91.05435	0.8
94.53835	0.6
109.02882	1.2
121.02849	2.2
135.04387	3.5
137.02332	6.1
141.01804	2.8
149.02347	2.1
161.02315	2.2
163.03889	3.6
165.01816	14.0
167.03400	3.8
175.19162	0.7
177.01843	1.0
177.05518	0.7
179.03357	1.8
181.04903	1.1
183.02875	6.4
187.03935	0.8
191.03360	0.8
195.02884	2.2
205.04979	1.4
215.03264	0.8
221.04483	0.9
243.02963	1.1
245.04379	1.6
255.06398	1.4
261.03894	1.3
271.05945	0.8
272.06879	0.9
283.05984	8.2
286.04733	4.1
287.05490	6.6
295.05930	1.7
297.07458	6.9
299.05475	100.0
300.06097	8.3
307.97723	0.7
311.05515	11.1
311.09061	1.6
313.03561	0.7
313.07117	2.3
321.07620	2.3
323.05463	2.2
324.06024	1.7
325.03564	1.6
325.07004	20.4
326.07440	0.9
327.04977	1.3
329.06512	70.9
330.06903	1.4
337.07059	2.4
339.04758	1.2
339.08591	12.6
349.06726	3.6
353.06525	35.1
354.06812	1.7
365.06549	9.9
367.08142	3.4
377.06570	9.3
383.07584	19.5
395.07565	17.5
396.08105	1.1
413.08612	18.8
414.08652	1.2
431.09772	9.7
449.10672	3.1
456.55255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01867	16.1
55.05506	38.6
57.03430	55.7
57.07066	13.0
67.05502	9.8
69.07063	35.8
69.07449	1.5
71.08627	8.1
73.02879	1.1
75.64174	0.9
79.05481	7.6
81.07043	12.9
83.04966	1.1
83.08610	32.8
83.09108	1.7
85.10159	4.0
91.05466	1.6
92.27269	0.9
93.07043	8.1
95.04967	1.0
95.08600	9.7
97.06521	3.5
97.10156	22.8
98.98455	73.0
105.07026	1.2
107.08567	4.8
109.10136	2.8
111.08081	1.6
111.11713	5.0
116.99473	2.2
117.60829	1.0
121.09334	1.2
121.10131	6.6
123.11725	2.2
124.53584	0.9
125.09642	1.2
125.13218	1.1
129.05498	1.1
135.11681	5.0
136.99976	71.9
137.13286	1.1
140.01067	1.3
149.13199	2.1
150.91681	0.9
155.01021	64.1
172.95369	1.0
178.02614	1.7
192.40497	0.9
193.02606	15.2
211.03645	10.4
211.45309	0.8
219.21135	1.5
229.30484	1.0
237.02644	1.1
237.22113	15.1
265.04849	1.0
288.59290	1.1
293.24728	1.3
311.25757	59.6
312.26251	1.5
447.25006	100.0
448.25528	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	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01622	0.9
55.01870	11.5
55.05509	27.3
57.03433	36.9
57.07069	10.8
65.03934	0.8
67.05504	8.7
69.07065	29.9
69.46585	4.6
69.46999	2.0
71.08631	6.1
79.05493	6.8
81.07052	11.3
83.04968	1.5
83.08611	26.9
85.10172	2.8
91.05447	1.6
93.07040	5.9
95.08607	8.7
97.06510	2.7
97.10162	17.7
98.10437	0.6
98.98457	50.9
101.24738	0.7
105.07027	1.0
107.08601	3.7
109.10147	2.6
111.04405	0.9
111.08060	2.0
111.11721	4.4
116.99481	2.4
118.98904	0.7
121.10143	7.3
123.11680	1.7
125.09663	1.0
125.13270	1.4
129.05435	0.9
131.08540	0.8
135.11670	4.4
136.99979	55.6
137.13249	1.8
139.11157	0.8
143.08466	0.8
145.10120	0.9
149.02353	1.3
149.13243	1.3
155.01027	57.3
163.14833	1.1
172.95239	0.7
178.02618	1.2
193.02611	14.2
196.03603	1.0
211.03661	10.4
219.21051	1.6
234.32681	0.9
237.22093	14.7
265.04807	1.1
277.00507	1.0
293.24677	1.8
308.63828	0.8
311.25772	65.5
312.26138	1.9
419.17371	1.1
447.25024	100.0
448.25250	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	447.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
55.05506	4.3
55.78050	1.5
56.96548	2.9
57.03430	1.7
57.07035	2.0
61.02921	1.7
65.03925	1.8
65.13147	1.5
66.02369	1.7
67.05492	5.7
67.89080	1.7
69.03421	4.2
69.07055	4.4
71.00143	4.0
73.81545	1.7
79.05492	13.6
80.04996	2.9
81.03400	2.3
81.05775	6.0
81.07042	14.7
83.04951	2.4
83.08606	2.6
85.02892	6.3
88.06749	1.5
89.99650	1.8
91.05466	5.8
93.07044	9.4
95.04958	5.0
95.08588	7.6
96.08121	13.7
97.02877	2.3
103.05467	2.9
105.07022	7.5
107.04912	3.0
107.08589	7.2
109.02872	2.3
109.06526	2.9
109.10129	5.5
111.04440	2.6
113.06017	2.0
115.05477	1.8
116.98598	1.7
117.07004	2.3
118.06543	11.4
119.07321	19.9
119.08564	4.9
120.08094	32.2
121.06503	1.7
121.08876	3.7
121.10133	4.6
123.11691	3.3
124.07581	49.6
127.03860	1.5
131.08571	2.4
132.08017	4.1
133.05215	4.1
133.10114	3.5
134.06023	1.8
135.11691	2.2
137.05928	2.6
137.09573	2.7
139.03851	1.8
145.10086	4.1
146.06010	11.6
147.06789	33.5
147.11668	1.8
148.07562	53.6
149.02283	2.2
149.08290	5.3
149.09586	2.4
151.07515	2.4
153.01839	3.6
157.10194	1.7
158.06107	1.7
160.07570	6.1
162.05469	6.1
163.11162	2.4
176.07076	19.0
186.05516	2.9
188.07072	1.9
191.10709	2.3
204.06531	5.0
216.06592	2.2
226.12035	1.5
228.08868	3.2
229.13295	8.2
232.06102	8.7
234.98985	3.3
242.10513	2.9
243.11246	6.5
243.15123	2.5
256.12057	5.8
257.12836	100.0
258.13092	2.7
271.14392	32.1
272.15158	37.2
273.15750	1.7
294.09723	11.4
296.11298	4.8
306.09763	3.3
322.09219	16.5
324.10718	22.0
373.23639	2.1
429.16483	3.0
447.17584	20.7
447.26822	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	447.0921
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
53.03919	0.5
55.01858	0.7
55.05499	0.6
64.97967	0.3
65.03912	0.4
67.05488	1.1
68.99782	0.7
69.03405	1.2
70.06572	1.1
70.84687	1.0
71.04974	0.9
73.02911	12.2
79.05475	0.8
81.03395	0.9
81.07032	1.4
82.56512	0.3
85.02917	1.7
86.09701	0.6
87.04450	1.2
91.05434	2.8
93.03405	0.5
93.07017	1.2
95.04942	1.2
95.08590	1.1
95.93684	0.3
97.02856	1.0
99.04431	0.4
105.03421	0.5
105.07010	1.6
107.04928	1.0
107.08605	0.5
109.02838	1.0
109.10138	0.9
111.00775	1.5
112.11288	0.4
115.05440	0.7
117.06985	1.0
119.04919	0.6
119.08572	2.5
120.08051	0.9
121.02850	1.3
121.06477	1.3
121.10121	0.6
123.08070	0.4
123.11668	0.7
127.03905	0.8
128.06180	0.4
133.06438	0.6
133.10124	0.5
134.99626	0.4
135.04388	0.5
135.08006	0.5
135.11649	0.5
136.07550	0.5
137.02309	3.8
137.05959	0.6
137.09631	0.4
145.02821	0.5
145.06450	1.1
147.02049	0.4
147.04381	0.8
147.08041	2.3
147.11702	0.6
148.03873	0.5
149.02303	1.1
153.01799	6.0
159.11621	0.4
161.05962	1.5
163.03893	0.7
163.07498	0.5
165.01813	2.8
165.05429	0.4
166.05009	3.5
166.06287	0.6
167.07053	0.9
173.05949	1.3
175.07547	1.4
177.05455	0.8
181.08566	1.2
182.52544	0.4
183.02899	1.2
183.04327	0.4
192.07727	0.6
193.08598	1.7
201.05415	2.4
203.07008	0.7
205.04929	0.5
207.06671	0.3
207.10223	2.1
211.03917	0.4
229.04956	5.5
235.09641	3.1
247.05989	0.5
257.04507	2.6
267.11255	0.7
267.46936	0.4
274.04749	0.9
275.05527	0.4
285.03882	1.5
285.12283	0.8
302.04288	0.6
303.04956	100.0
304.05292	1.3
315.04858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00912	9.7
53.71084	10.6
55.05501	25.7
56.96563	17.4
57.03415	13.2
67.05489	39.2
69.03404	12.1
69.07064	50.5
71.04961	13.4
71.59804	9.1
71.60170	14.3
79.05493	25.3
81.03408	24.2
81.07060	100.0
83.08590	20.8
85.02889	32.0
91.05409	14.8
91.05873	11.1
93.07017	35.4
95.04978	12.9
95.08598	83.8
97.02911	17.4
97.10194	12.7
105.07005	30.0
107.08559	33.6
109.10167	65.7
119.08557	15.5
121.10137	29.2
123.08018	15.2
123.11703	28.3
127.03942	11.3
131.08551	15.9
131.68378	9.3
133.10153	16.9
135.11644	16.2
137.13263	15.8
145.10085	21.1
147.11642	14.8
149.09561	9.4
149.13239	15.6
153.01823	18.7
155.07005	17.2
157.23666	9.5
161.13310	11.6
163.14835	11.9
164.29292	10.7
173.66859	12.3
237.16910	10.8
248.21844	10.4
264.37717	11.6
265.25293	19.3
285.10104	15.1
317.52933	11.2
332.76303	11.3
353.13898	10.2
442.77383	9.9
443.43692	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	446.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95825	14.6
57.03407	23.2
57.50426	15.6
58.45768	16.7
69.03407	27.9
69.56261	100.0
69.56668	30.6
70.06580	38.7
70.12573	15.3
72.08155	18.3
73.02905	42.7
78.24092	16.1
80.55108	15.8
81.03436	40.0
84.08154	22.9
85.02893	57.8
86.09680	33.6
91.05470	60.9
97.02885	67.2
107.04942	21.7
109.02838	28.7
123.95252	17.0
127.03931	32.1
142.81526	15.3
147.04414	19.1
153.01965	16.8
163.03906	30.7
167.06970	18.9
175.03810	18.8
177.05510	23.5
206.08093	28.2
207.06532	28.4
208.06102	18.4
222.11215	38.2
223.06036	21.9
231.02808	22.7
241.06944	38.2
243.26688	17.1
259.02264	34.0
266.10126	23.4
267.08582	34.2
277.03381	64.2
278.86563	18.2
284.11264	66.4
303.01340	54.0
446.16422	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.6
55.05507	11.8
55.86434	4.1
57.03432	26.1
65.88363	3.8
67.05502	40.1
68.78448	5.6
69.03427	26.1
69.07080	8.0
69.51253	4.9
71.04980	100.0
72.79286	4.0
77.01588	4.3
79.05479	19.9
81.03416	71.9
81.07043	73.4
81.07512	6.2
83.04976	13.2
83.08611	4.9
85.02892	12.3
85.06508	10.5
91.05473	33.8
93.07039	18.5
95.08585	15.8
97.02894	32.3
97.06506	8.6
99.04434	7.5
105.07018	18.2
107.08580	19.8
109.02868	10.4
109.10142	13.4
121.10137	6.5
121.32803	4.7
121.72837	4.4
123.11719	14.3
127.03950	7.1
129.05508	6.4
131.08511	5.6
133.10114	35.2
135.11707	8.6
145.10152	5.3
149.13264	12.9
151.11166	17.9
159.11691	15.1
173.04443	32.6
173.13187	5.2
177.12743	7.1
183.13820	11.8
187.13268	25.5
195.13844	7.9
198.29411	4.8
201.14882	15.8
243.15813	4.8
257.17508	38.9
343.30722	4.8
345.32919	4.4
413.21655	10.9
445.24228	66.6
445.29437	12.4
445.34979	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	445.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
54.09707	1.0
55.01862	1.6
55.05506	9.3
56.96542	1.3
57.03431	13.9
57.07073	1.1
59.04977	1.7
61.02942	0.9
65.03950	2.1
66.13935	1.1
67.05502	45.7
67.32254	0.9
69.03431	17.4
69.07062	7.1
70.06586	1.2
70.78445	1.7
70.78813	2.3
71.04988	100.0
73.02905	3.1
79.05489	19.5
81.03413	28.1
81.07051	66.9
82.07352	1.0
83.04971	12.3
83.08614	5.9
85.02898	12.9
85.06546	9.6
87.04455	1.8
91.05466	37.4
93.07045	18.3
95.04949	5.6
95.08597	9.5
97.02274	1.9
97.02887	31.9
97.06516	9.0
97.10133	1.5
99.04439	5.1
99.08075	3.3
103.03946	2.5
105.06381	1.4
105.07028	19.7
107.04948	2.3
107.08588	18.1
109.02877	6.1
109.06515	5.2
109.10148	13.1
111.04420	3.5
111.08079	2.0
116.98634	1.1
117.07017	2.9
119.04945	1.4
119.08588	4.6
121.06538	1.1
121.10143	6.7
123.08083	2.0
123.11700	13.9
125.06030	1.3
125.09653	2.0
127.03902	8.9
127.07567	1.3
129.05470	4.0
129.06990	2.0
131.04916	1.4
131.08585	6.3
133.09087	1.7
133.10121	31.8
134.10548	1.0
135.08078	1.7
135.11682	4.7
137.06003	1.4
137.09601	1.8
145.04951	1.3
145.10040	1.7
147.04407	3.7
147.11635	3.1
149.13263	9.0
151.07547	2.2
151.11171	19.2
153.01837	1.8
153.12766	1.8
157.10109	1.4
159.11703	8.2
161.13272	1.1
165.09114	6.3
167.05586	1.0
167.07053	2.5
169.12250	3.4
171.06577	1.2
173.04477	8.6
177.12755	6.7
179.14290	1.6
183.06633	2.5
183.13795	9.2
187.13283	28.7
195.13860	7.8
201.07518	1.4
201.14847	15.9
207.13678	1.2
213.14818	2.3
225.14923	2.0
239.16490	2.2
241.17926	1.6
243.15939	6.4
249.14966	1.1
257.04443	2.0
257.17474	61.5
259.13464	1.3
269.17450	6.5
271.15424	1.8
283.15942	1.2
283.19162	1.6
301.16870	2.3
301.20099	10.6
303.15994	1.2
339.17822	2.4
369.19125	1.7
395.20667	2.1
413.21762	10.0
427.23615	1.5
445.24295	52.0
446.24622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
56.96560	67.2
66.57658	1.7
66.72472	1.3
67.05508	3.6
69.03393	1.4
69.07046	1.5
71.59950	3.3
71.95261	8.4
72.96053	2.3
79.05486	3.4
81.07048	5.0
81.12277	1.6
84.96026	1.7
91.05454	2.3
93.07017	1.6
95.08607	3.4
98.97573	2.4
103.85699	1.6
105.07015	2.9
107.08593	2.3
110.97591	1.7
112.03403	1.5
116.98590	2.4
119.08576	3.7
121.81416	1.6
123.01190	2.7
126.45408	1.4
127.03898	1.5
128.98611	5.7
131.08601	2.1
133.10117	2.8
134.99658	4.0
135.11642	1.8
137.02756	2.2
141.02251	3.1
145.01688	1.5
145.10132	2.7
146.99651	9.1
155.03819	3.6
157.01825	1.9
159.03262	2.1
161.01224	2.4
163.02725	1.8
165.00658	3.3
167.03937	1.7
169.01747	4.8
171.03307	6.6
171.36188	1.6
183.03308	2.6
185.04823	4.9
187.02760	3.8
188.98973	3.2
189.04373	6.5
197.04912	2.2
199.06433	5.8
200.98936	1.8
201.04269	3.9
201.99672	2.3
203.00461	2.5
203.05898	10.2
206.99979	1.9
207.07034	3.0
209.04842	1.6
211.06483	5.6
213.08057	3.4
217.07335	11.1
219.06851	3.9
221.04860	2.1
221.08592	1.8
223.02768	2.3
223.06520	8.4
223.08408	3.4
225.08005	6.4
227.09464	2.2
229.07529	4.8
231.09053	9.2
235.06384	3.4
237.04422	2.7
237.07925	16.8
239.09544	28.4
241.07454	7.9
241.11093	8.5
243.06940	2.3
243.09131	5.5
249.07968	2.8
251.09508	2.5
253.11261	1.9
255.09029	15.3
257.10577	21.5
258.24060	1.6
259.12149	19.1
261.05014	1.6
261.07840	7.4
262.11243	2.4
267.09195	3.4
269.10699	3.0
271.06686	3.1
271.12262	2.2
279.08987	26.4
280.09656	2.2
280.12335	2.4
281.10547	9.2
285.10239	2.4
289.07822	2.5
295.06683	19.2
297.10107	19.8
299.11578	7.8
302.10675	3.3
307.15686	2.3
312.07025	3.4
313.07779	94.7
314.08392	3.5
322.99265	1.9
330.07932	3.4
331.08838	68.0
331.15775	7.2
332.09491	3.5
333.13916	2.3
336.09338	14.3
347.15329	3.8
349.16739	21.4
349.20670	2.0
354.10373	5.1
363.12936	20.5
365.14545	22.0
366.14789	1.9
367.17737	2.6
372.18387	3.5
381.14041	100.0
382.14365	2.3
383.15610	57.3
383.20544	2.9
384.15903	3.7
399.14917	11.4
404.15668	16.8
406.17172	12.9
445.29373	5.4
463.11279	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	445.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.05487	1.1
57.03435	1.9
67.05499	4.2
69.03442	1.9
69.07043	1.3
70.72227	0.6
70.72560	0.8
71.04984	9.9
74.61060	0.4
79.05495	1.9
81.03410	3.1
81.07052	6.4
83.04958	1.2
83.08584	0.6
84.08131	0.4
85.02883	2.1
85.06521	0.9
91.05431	3.4
93.07038	1.9
95.04936	0.7
95.08588	1.1
97.02876	3.5
97.06503	1.5
98.97554	0.7
99.04456	0.5
105.07025	2.0
107.08576	1.3
108.72359	0.4
109.02852	0.8
109.06454	0.5
109.10136	1.6
111.04384	0.6
116.98600	0.6
117.07003	0.7
121.06546	0.4
121.10095	0.9
123.11679	1.8
127.03912	1.1
131.08530	0.5
133.10107	3.0
134.99617	0.6
135.11623	0.5
149.13239	0.7
151.11192	2.2
159.11650	0.7
161.13113	0.5
164.08197	0.4
165.12724	0.5
167.05545	0.6
169.12296	0.6
173.03009	0.5
173.04407	0.5
177.12584	0.4
183.13800	0.7
187.13287	2.8
201.03569	0.5
201.14833	1.1
241.04865	0.6
243.15797	0.5
257.17422	6.0
269.04413	0.8
283.02148	0.6
297.03864	2.0
301.20035	1.0
311.05692	0.5
313.16238	0.8
333.07892	11.9
377.19632	0.4
395.20581	0.5
403.16287	1.1
413.08578	0.8
413.21600	1.2
427.28189	0.4
445.20322	100.0
446.20847	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	445.2039
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
51.54464	0.2
53.38988	0.2
60.22324	0.3
67.05486	1.0
69.03416	0.6
69.07041	0.7
69.41316	2.2
71.04985	2.2
77.49300	0.3
79.05501	0.6
81.03429	1.1
81.07044	1.3
85.02922	0.4
91.05480	0.8
93.07034	0.6
95.04956	0.3
95.08603	0.3
97.02863	0.9
97.06514	0.3
105.07013	0.7
107.08586	0.4
109.06537	0.3
109.10147	0.6
119.01897	0.6
119.08584	0.3
123.11708	0.3
127.03857	0.2
131.01891	0.5
133.10130	0.8
134.26111	0.2
143.60840	0.3
146.11288	0.2
151.11185	0.5
153.01814	0.5
155.01927	0.4
155.03119	0.3
161.02966	0.3
173.02933	1.0
182.67371	0.3
182.71942	0.2
187.13220	0.3
195.13962	0.3
201.03706	0.9
201.14885	0.5
226.94478	0.3
255.11243	0.3
257.17529	1.2
275.07205	0.4
303.05099	0.4
313.16187	0.9
321.61105	0.3
325.15009	0.3
333.07886	18.3
334.08121	0.3
335.09540	0.8
343.15903	0.6
361.42557	0.2
380.10379	0.2
445.20364	100.0
446.20731	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	443.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	3.2
55.04235	4.6
71.58736	1.6
80.05025	1.3
81.04526	25.1
82.05292	7.3
85.02884	2.0
89.83103	1.1
97.02898	1.4
108.05573	1.2
109.02893	1.6
117.54653	1.4
122.07132	100.0
123.07918	98.6
153.01772	1.6
160.04236	1.7
165.07733	3.6
281.07526	3.1
281.10629	64.8
303.01361	5.8
443.15939	73.6
444.16354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29885	0.8
55.01850	0.7
55.05488	1.3
56.96564	0.7
61.49059	0.7
64.34117	0.7
67.05473	0.7
67.24795	0.8
70.06591	1.5
70.48620	2.8
72.58752	0.7
72.84604	0.8
76.02148	0.8
79.73523	0.6
85.02882	1.1
86.09710	0.9
120.79652	0.6
124.51062	0.7
145.02885	1.1
149.98296	0.7
153.01868	2.0
178.60460	0.8
199.89038	0.8
281.04727	0.9
443.16763	100.0
444.17105	2.9
461.17206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95135	1.5
59.56394	1.4
60.86028	1.6
64.63102	1.5
67.05501	2.2
68.94604	1.7
68.99784	2.1
69.03426	2.8
69.30273	16.9
70.06570	3.2
79.01839	1.9
81.03384	1.7
84.08135	2.1
85.02888	3.0
86.09721	2.5
91.05465	2.4
95.04961	3.1
107.04922	2.4
109.02837	2.0
109.06503	1.7
111.04427	5.1
119.04935	1.7
120.39603	1.6
123.04417	100.0
125.02319	2.2
135.08041	18.9
137.05933	2.4
139.03891	96.8
143.03377	5.2
147.04367	9.3
151.03894	9.0
153.01808	39.2
153.02991	3.5
159.11693	3.1
161.05934	3.4
165.05481	3.1
172.08865	1.7
177.05482	2.1
187.11145	8.3
189.05496	3.0
203.10690	2.9
207.06587	2.6
207.10034	1.8
215.10608	4.9
230.38449	1.5
233.11670	7.9
245.11740	6.1
263.12799	4.0
273.07562	4.2
291.08542	6.9
366.42786	1.8
377.01785	3.1
378.02008	3.6
396.98508	2.0
443.18799	5.7
454.50677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
69.07049	5.1
69.50591	3.9
69.50999	11.3
73.06524	1.8
81.07042	2.5
83.08636	1.7
86.09697	100.0
93.07014	1.7
93.53513	1.7
98.21473	3.5
119.08546	2.3
121.24860	1.6
160.22633	1.7
186.14876	66.0
186.16554	3.7
214.14371	25.4
227.05853	2.0
230.51605	1.8
242.92407	1.8
263.08051	1.6
314.19696	13.9
347.46658	2.0
393.04031	1.9
399.28470	20.1
427.27786	2.3
444.35532	2.8
449.34036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01871	5.5
55.05499	1.2
56.96547	1.2
57.03434	13.8
59.04984	1.8
61.02921	13.5
67.05479	1.6
69.03072	1.7
69.03425	33.5
69.07075	1.0
71.01340	2.6
71.04987	1.4
71.08622	1.9
71.59763	1.2
71.60152	1.7
73.02911	67.3
81.03419	5.5
81.07038	1.3
85.02898	100.0
87.04434	3.0
91.03953	5.6
91.05428	1.3
93.06977	1.1
97.02881	57.9
99.03887	1.0
99.04423	4.5
101.02346	1.1
103.03919	3.1
109.02853	7.8
109.10114	1.6
112.11219	1.0
115.03146	1.7
115.03921	23.5
119.08536	1.0
127.03910	32.3
133.03996	1.8
133.04956	27.0
145.04948	52.7
150.07631	1.9
153.01808	2.3
163.06007	16.8
167.07004	3.4
169.29143	0.9
175.05833	1.0
177.05536	1.3
178.68814	1.0
193.05000	1.9
199.06020	1.1
223.06010	6.2
241.07048	5.8
259.08261	4.9
293.19611	1.5
442.25055	12.0
443.17108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.8
69.03429	2.0
71.21122	2.2
71.21461	2.3
81.03409	2.6
85.02879	4.1
97.02874	2.6
98.21239	1.8
98.97566	8.4
101.87965	1.6
109.02823	1.7
115.05482	1.8
116.98601	6.6
128.98607	2.8
132.08064	4.3
134.99625	4.0
146.99637	2.6
147.04382	1.6
153.01791	7.4
158.99631	2.9
160.07570	100.0
161.07855	2.7
170.99590	1.4
177.00708	5.0
177.10210	10.2
189.00667	3.1
197.43506	1.5
201.00706	4.6
219.01807	6.6
237.02800	4.7
243.01704	2.0
261.02838	8.6
275.01804	2.4
279.03824	5.6
291.03891	1.9
303.01263	10.3
303.27988	1.6
321.04837	2.8
332.19019	1.5
394.99353	2.1
441.09488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96519	0.9
55.01871	6.8
56.96563	1.4
57.03434	14.7
59.04998	1.3
61.02921	14.3
67.05483	1.1
69.03427	34.9
69.07050	1.7
70.06619	6.1
71.01343	3.8
71.05007	1.4
71.85279	1.1
73.02915	67.7
79.05511	1.4
81.03431	5.1
81.07052	1.6
84.08186	1.2
85.02903	100.0
87.04458	3.1
91.03944	3.9
91.05465	1.3
93.07059	1.5
95.08621	1.9
97.02892	55.7
99.04434	3.1
99.08016	0.9
103.03921	2.5
109.02879	8.8
115.03929	25.8
127.03917	31.3
132.10172	2.5
133.03996	1.8
133.04961	30.3
142.39806	1.1
143.03358	1.1
145.04956	47.9
150.07645	2.0
153.61681	1.0
163.06012	19.0
165.12697	1.0
167.07048	1.4
185.58467	1.3
193.05016	1.7
223.06017	4.0
241.07095	4.8
243.10123	0.9
259.08197	5.9
271.59790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	3.0
56.96556	2.9
57.03428	13.6
61.02922	13.0
67.05487	3.6
69.03422	28.1
69.07037	2.2
69.97735	11.0
71.01358	4.7
71.08607	2.8
73.02914	60.2
79.05455	2.9
81.03419	8.1
81.07063	4.6
85.02901	100.0
87.04451	4.8
91.03971	3.5
91.05437	2.1
92.30787	2.5
93.07041	3.1
95.04964	3.3
95.08575	3.3
97.02884	54.7
98.71097	2.2
99.04450	3.3
103.03931	3.4
109.02881	8.0
109.10175	2.6
115.03931	28.6
121.10170	2.1
127.03913	35.2
133.04951	30.6
139.03873	2.5
145.04942	52.1
153.01845	2.7
163.05983	24.2
177.05566	2.7
178.60501	2.1
223.06046	3.4
225.04581	2.7
228.27487	2.6
235.18842	2.4
241.07048	5.5
259.08130	7.3
281.13477	4.1
314.97577	2.0
317.06699	4.8
442.24896	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57457	1.2
69.03416	1.7
70.73329	2.8
70.73694	2.5
79.05466	2.8
91.05465	5.9
94.04188	3.6
95.04946	2.0
95.21048	1.2
103.05471	3.1
105.07023	2.7
107.04941	3.7
109.06515	2.1
111.04400	2.4
115.05427	4.0
117.06998	3.3
119.04944	3.6
121.06487	3.1
122.03638	7.0
123.08066	2.6
128.06161	1.4
129.07005	3.4
131.04916	7.8
131.08565	1.3
133.06471	2.9
135.08025	1.9
137.05969	100.0
141.07034	2.3
143.04874	2.1
145.06523	4.2
146.03622	1.7
147.04393	2.1
147.08052	1.4
149.05997	4.4
151.07542	23.0
153.06982	2.6
157.06491	4.0
160.05197	4.7
161.05962	7.4
162.06728	2.1
163.07512	9.8
165.05464	1.8
165.09122	4.5
171.07985	2.2
174.06750	5.1
175.07558	20.0
177.05484	3.9
177.09113	4.3
179.07039	5.3
181.04973	4.0
181.06421	2.1
185.06013	1.9
187.07597	9.0
188.08305	2.9
189.09073	13.2
191.07068	7.7
191.10625	2.9
193.08615	5.3
195.10188	11.2
198.06628	1.6
199.07483	6.4
201.09119	4.2
203.06990	5.0
203.10588	2.5
205.08588	3.8
209.08015	2.9
213.09109	6.2
215.07060	3.2
215.10680	1.6
217.08472	6.9
219.08147	2.1
219.10121	6.1
225.09131	2.2
227.07138	1.4
229.08604	2.7
231.10132	3.0
232.08757	1.9
233.11691	20.8
241.08591	6.9
245.09671	2.1
247.07416	2.2
249.08975	1.7
249.11282	2.4
255.10205	1.9
259.09601	2.8
261.08902	1.8
261.11267	5.0
265.08597	1.8
271.10953	1.5
273.08994	2.8
274.09848	2.2
275.10724	1.6
277.08582	5.9
289.08524	2.5
290.09375	2.9
291.10065	2.5
299.12994	2.4
303.10110	4.2
305.08194	2.0
305.11771	3.6
307.09708	2.7
309.11212	3.5
311.12723	4.4
317.11545	2.8
319.09686	1.8
319.13245	2.9
321.11172	4.7
322.12048	1.7
323.12714	4.2
325.14255	1.8
328.13187	1.6
329.11679	1.9
331.09631	1.6
331.13254	3.2
333.11182	2.9
335.12637	4.7
337.14261	5.2
345.14621	2.1
347.12772	3.1
349.14288	4.0
353.13754	3.1
355.15421	2.3
361.14346	2.8
361.58850	1.4
363.15833	3.1
365.13498	6.4
367.15259	7.1
379.15344	3.4
381.16931	6.0
383.14960	2.7
387.15942	2.2
391.15268	2.7
395.18625	2.1
397.16513	4.5
405.16953	7.3
423.18036	18.6
441.19312	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	441.115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	2.2
60.39331	1.5
70.06573	5.9
71.59056	2.1
72.08140	2.3
83.06091	2.6
84.08133	13.3
85.02885	1.7
86.09695	8.2
91.05478	2.3
98.09681	1.7
110.07144	10.5
112.11224	18.2
116.98612	1.5
119.04881	2.0
124.41729	1.6
125.07135	1.9
129.13853	10.1
135.04359	2.0
136.05042	3.9
147.04385	4.2
175.03867	3.2
177.05467	4.0
207.06488	5.2
207.08461	1.4
213.10623	1.7
258.75647	1.4
260.11206	1.8
279.13187	3.3
303.01321	2.7
314.76956	1.4
327.07501	2.2
367.18427	2.3
423.14090	4.6
426.88058	1.7
441.11490	100.0
441.16931	4.5
441.27307	7.0
442.11404	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	440.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	6.8
55.05499	12.1
57.03423	21.5
59.04993	2.4
61.02913	17.9
67.05520	3.1
69.03415	37.6
69.07058	53.5
71.01361	5.6
71.51413	4.6
73.02903	82.3
79.39805	3.2
81.03409	6.1
85.02891	100.0
91.03934	3.2
91.05453	3.1
93.66934	2.6
97.02869	58.3
99.04441	6.7
100.91565	2.5
101.02425	3.6
103.03930	5.1
104.35469	3.0
104.93537	2.7
109.02879	7.9
111.11699	28.0
115.03909	33.9
127.03901	31.6
130.17946	2.6
133.04947	33.9
145.04935	39.0
150.07619	4.9
163.06010	19.6
189.36420	2.9
196.84198	3.8
223.06024	8.7
241.07063	8.0
242.47331	2.8
259.08151	6.6
294.14957	3.2
347.12134	2.9
440.23080	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01851	8.4
55.05496	8.4
57.03432	19.3
61.02920	16.2
65.82533	1.7
67.05485	5.5
69.03075	2.5
69.03421	41.1
69.07062	82.7
70.06580	2.2
70.84952	5.8
71.01336	6.3
71.04964	4.5
73.02911	79.8
79.05479	3.5
81.03408	11.8
81.07044	4.9
82.77626	1.9
83.04972	5.0
85.02895	100.0
86.09669	3.2
87.04449	6.0
88.03986	3.9
91.03939	2.3
91.05461	5.7
93.07018	8.1
95.04940	4.1
95.08592	3.7
97.02277	4.1
97.02881	66.0
97.03506	3.2
99.04424	5.2
103.03926	3.4
105.06999	5.3
107.08560	6.4
109.02879	9.0
109.06506	2.3
109.10157	6.5
111.08094	13.7
111.11705	30.0
115.03925	30.1
119.08490	5.1
121.10134	3.6
127.03911	29.4
127.11155	5.2
129.12743	46.8
131.08458	3.1
133.04933	30.8
133.10098	3.6
135.11702	3.3
139.11142	4.7
141.12752	13.1
145.02820	4.2
145.03889	3.0
145.04950	33.0
145.10118	4.3
147.04425	2.9
147.11691	4.5
149.09505	1.9
153.01779	10.6
153.12753	2.0
163.06006	12.1
163.11198	2.3
165.12694	2.9
175.03912	2.3
177.05487	2.3
177.12708	3.9
179.10698	3.7
195.13710	3.5
207.06528	4.7
207.13843	5.4
219.13741	4.0
223.06047	6.6
225.14677	3.7
237.14812	8.5
241.07076	9.1
255.15952	6.1
259.08109	7.3
273.17017	8.7
277.09424	2.0
286.00058	1.8
288.05786	4.0
291.17938	12.8
305.18201	2.2
378.38953	2.4
440.23651	10.4
441.20419	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	439.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20127	0.4
54.54364	0.4
67.05505	0.7
69.03429	0.9
69.07039	0.7
71.04991	1.3
71.59745	0.8
72.04492	0.5
72.08144	0.5
81.03419	0.6
81.07047	0.9
81.36040	0.4
84.55468	0.4
85.02890	0.6
85.06551	0.5
91.05486	0.9
93.07026	0.5
95.04958	0.8
95.08602	0.7
97.02853	0.6
100.11222	0.5
107.08588	0.8
111.04414	0.7
119.04926	0.6
121.10143	0.6
137.05927	0.8
147.04395	0.6
153.01846	0.7
153.06972	0.4
163.03889	0.6
167.07062	0.6
177.05507	0.5
182.15367	0.9
187.07607	0.5
201.03671	3.4
203.05258	18.2
210.14836	0.9
259.16693	12.8
261.18262	11.0
262.18655	0.7
277.14203	0.7
354.23535	0.6
393.01294	0.6
439.23022	100.0
440.23395	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	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01865	2.5
55.05510	19.0
57.03432	40.5
57.07071	2.1
61.02921	13.9
67.05501	4.7
69.03423	52.8
69.07063	97.1
70.89659	4.6
71.01349	4.0
71.04980	2.1
73.02914	81.2
81.03411	11.2
81.07050	5.1
83.08635	1.4
85.02899	100.0
87.04473	3.5
91.03938	2.3
91.05503	2.2
93.07057	3.4
95.04969	1.3
95.08598	3.7
97.02883	71.5
97.06539	1.6
98.97604	2.7
99.04440	5.6
99.79081	1.4
103.03904	2.1
105.07027	2.3
107.07851	1.3
107.08572	3.3
109.02883	8.2
109.10142	1.9
111.11716	48.0
115.03921	45.9
121.10156	1.5
127.03911	28.2
132.06610	3.0
133.04973	12.8
133.10126	2.9
144.06543	1.7
145.03886	2.7
145.04955	37.1
145.10033	1.4
150.07642	3.5
153.12779	2.1
163.06015	19.1
173.13332	1.9
177.00778	2.0
180.08815	1.4
207.13750	1.4
209.15974	1.3
218.15337	1.4
220.10367	2.3
223.05983	7.7
241.07098	7.6
243.16170	1.6
255.15910	2.5
259.08188	6.1
273.16937	1.5
295.10309	3.8
305.50427	1.6
392.36349	1.7
408.01617	1.4
420.06290	1.4
440.23553	18.5
441.24527	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	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
54.02465	0.3
55.05502	0.5
57.03431	0.4
60.75018	0.3
66.96037	0.4
67.05518	0.3
69.03413	0.7
69.07052	2.0
70.72254	1.1
73.02915	1.7
79.05510	0.3
79.57903	0.3
81.03409	0.4
81.07063	0.8
81.37246	0.3
85.02895	1.8
91.05455	0.6
93.07015	0.5
94.05210	0.3
95.08653	0.4
97.02886	1.0
107.08587	0.5
111.11741	0.8
115.03911	0.6
119.08591	0.6
121.02859	0.7
121.10195	0.4
127.03926	0.5
140.05283	0.3
145.04935	0.7
153.01822	1.5
165.07037	0.4
195.99847	0.4
203.05231	0.9
217.01599	0.3
259.16837	0.6
280.19641	0.4
287.05524	5.8
287.08481	0.6
288.06070	0.4
361.10550	0.4
369.18771	0.7
412.42319	0.4
421.21887	0.4
439.23022	100.0
440.23294	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	439.142
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
50.01637	0.4
65.04153	0.4
69.03423	0.6
70.06569	0.8
71.47518	0.4
71.47838	0.5
81.03410	0.5
85.02858	0.8
91.05500	0.5
96.92229	8.6
147.04430	1.3
174.52992	0.4
185.04257	0.7
191.19499	0.5
203.05273	1.0
207.06491	0.6
213.12285	0.5
229.03114	0.6
277.08929	26.3
303.01376	1.3
365.10474	4.6
381.07898	1.4
439.14233	100.0
440.14642	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	439.2296
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
69.03429	0.4
69.69787	0.4
71.38430	0.8
73.64049	0.4
86.69659	0.4
91.05487	0.6
121.02840	0.8
133.10155	0.6
147.04355	0.7
153.01816	2.4
160.84647	0.4
184.07417	0.6
201.03648	3.1
203.05287	2.7
242.18784	0.5
259.16711	1.9
261.18243	11.5
263.00827	0.5
277.17606	0.6
339.14130	0.9
393.01190	5.1
394.01541	0.4
411.02258	2.3
439.23004	100.0
440.23370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05505	1.3
57.03438	1.8
59.72048	0.4
61.02921	1.2
67.05502	1.0
69.03427	3.2
69.07069	4.5
70.09628	1.8
72.08113	0.4
73.02914	5.8
79.05497	0.9
81.03403	1.1
81.07056	1.3
84.08136	0.4
85.02902	6.9
86.09715	0.6
91.05473	1.0
93.07067	0.8
95.04958	0.6
95.08622	0.7
97.02892	3.6
98.97613	0.5
103.05472	0.5
105.07047	0.7
107.04940	0.4
107.08569	0.4
109.02863	0.7
109.10159	1.0
111.04453	0.4
111.11706	1.4
115.03934	1.7
116.98606	0.4
119.08533	0.8
121.10196	0.5
127.03924	2.2
129.12819	0.4
131.08566	0.4
133.04968	1.8
135.08037	0.6
136.07515	0.4
137.02309	0.5
139.13489	0.4
145.02831	0.4
145.04967	2.6
147.04396	0.7
147.11694	0.5
149.09564	0.5
149.13303	0.6
153.01848	1.3
163.04051	0.3
163.05956	0.8
165.09152	1.2
182.15346	0.4
184.07414	0.8
201.03760	1.4
203.05328	1.8
203.54665	0.4
205.63194	0.4
237.02925	0.5
241.07034	0.5
259.08176	0.6
259.16690	3.4
261.18280	8.6
277.14197	0.8
277.17743	1.0
287.05511	0.7
300.98013	0.6
303.05002	1.7
304.05331	1.8
305.05505	6.5
306.05737	4.6
307.06009	7.1
344.97025	0.4
346.98550	0.8
361.04184	0.4
362.97784	0.7
374.98062	2.7
388.96094	2.0
392.98886	2.4
397.99576	3.9
398.99637	0.6
416.00626	1.7
421.14453	0.4
439.10715	3.6
439.23047	100.0
440.23578	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	437.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02865	1.1
54.45477	0.8
55.05489	3.2
55.68310	0.9
57.07067	40.3
66.79629	0.9
67.05482	1.3
69.07054	2.9
69.48695	6.3
69.49123	1.6
71.08622	28.8
73.06536	6.3
81.07072	1.1
83.08625	1.7
85.10176	23.4
87.04443	2.9
89.06019	100.0
91.07589	1.3
93.47513	0.8
95.08584	1.4
95.11757	1.0
97.10158	2.6
98.20744	1.9
99.11727	3.1
105.07008	1.3
107.07068	5.8
107.08517	1.2
113.13272	1.2
117.09132	2.7
130.08667	4.9
131.08481	1.0
133.08582	42.4
135.10048	1.1
151.09540	1.2
155.17932	2.8
159.11769	1.0
177.11206	8.7
195.12233	1.2
199.20679	1.0
205.17546	0.9
239.14842	1.7
243.23199	2.2
283.17599	2.2
423.64536	0.9
437.34857	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	437.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	1.7
55.05508	1.0
58.69736	0.8
65.03934	1.1
67.05495	1.3
69.03410	1.0
69.33854	9.4
71.01354	0.9
73.84211	0.9
77.03931	1.1
79.05494	8.2
81.03387	1.2
81.07047	1.7
85.02892	2.0
86.05206	1.0
91.05479	10.3
93.07037	2.2
95.04968	4.0
95.08603	1.1
97.02896	0.8
98.20752	1.6
103.05453	5.7
104.06255	1.1
105.03377	2.0
105.07024	25.4
106.07346	1.2
107.04931	4.9
109.06474	2.3
111.04471	1.0
115.05442	2.5
117.07063	1.0
118.04163	8.8
119.04936	5.5
119.08578	0.9
120.05702	2.2
121.06476	2.9
121.10140	0.9
122.07306	1.7
123.04411	3.7
123.08057	3.6
124.05206	2.6
124.07510	1.5
125.05991	2.7
127.03934	1.3
131.04944	1.0
132.05705	1.1
133.02802	2.2
133.06479	22.8
134.07253	1.9
135.04395	3.7
135.08073	5.5
136.05199	1.0
137.05981	10.6
139.07556	1.2
146.03651	3.0
147.04315	4.7
148.05223	1.0
149.05956	4.9
150.06754	14.7
151.07549	4.9
152.07065	9.1
153.01816	1.6
153.05435	1.5
155.07001	2.3
161.05989	2.7
165.05469	4.1
165.09088	15.1
167.06993	16.6
168.07773	2.6
177.05482	1.9
178.06221	1.6
179.07022	2.7
180.07768	3.2
180.52638	0.9
181.04976	16.4
181.08504	1.8
183.06535	1.2
188.10736	1.1
193.08589	59.6
194.08994	2.0
202.12408	1.4
205.08620	2.8
207.06505	2.0
208.07257	4.8
211.09644	100.0
212.10060	2.1
225.07574	7.9
226.08255	2.7
230.11795	5.4
275.08148	1.1
275.13849	7.8
295.22980	0.8
437.21396	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	435.1832
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
56.96558	1.2
57.66890	0.3
66.35669	0.4
69.03421	0.6
70.06584	1.2
71.04967	1.1
71.59103	0.8
79.01833	1.3
81.03411	0.7
82.96525	0.4
84.01752	0.4
85.02883	1.3
91.05446	0.4
97.02888	0.5
109.02876	1.0
120.08129	0.6
121.02860	0.6
125.02336	0.7
130.06535	1.4
132.08018	0.4
141.04488	0.4
142.06438	0.4
143.03358	1.2
153.01801	11.0
153.02782	0.4
154.02170	1.8
159.09167	1.3
172.07626	0.4
184.07593	0.6
185.07133	0.9
188.07086	0.8
198.99051	0.5
201.00652	0.6
208.97626	0.5
214.98390	0.4
226.98560	2.1
227.08162	0.9
231.01318	0.4
232.99643	0.4
244.99736	1.5
245.09198	1.7
255.11140	0.6
263.00778	1.4
273.08698	0.5
273.12070	0.7
291.09872	0.6
292.75449	0.4
301.20557	0.4
303.14111	8.7
321.07907	0.4
435.18323	100.0
436.18640	3.1
439.02600	0.4
452.53723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.144
Annotation	Catechin 3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
53.03936	0.8
55.01858	0.7
56.96571	0.5
60.49139	0.4
61.02922	0.5
61.22072	0.5
69.03422	1.4
69.45015	1.6
69.45444	2.0
73.02909	0.4
79.05500	1.0
81.03427	0.7
85.02887	2.2
87.04440	0.4
90.05998	0.4
91.05492	0.7
93.07084	0.4
95.04953	1.7
97.02866	1.0
97.91860	0.4
103.03942	0.9
105.07037	1.0
107.04946	100.0
108.05294	1.1
109.02879	1.0
121.02881	0.5
121.06443	0.9
123.04430	1.0
123.08041	0.5
127.03956	0.5
131.04942	0.8
133.06477	0.5
139.03905	1.8
144.08942	0.4
145.06483	0.5
147.04378	0.7
149.05945	2.1
151.03889	4.9
153.01775	1.0
153.32556	0.4
161.05888	0.7
163.03914	2.4
163.07837	0.5
165.05481	0.6
167.07033	0.5
169.04965	1.0
172.01326	0.4
173.05939	0.9
175.03862	0.6
177.05429	0.5
180.07213	0.5
181.04942	6.1
187.03938	0.6
189.05479	0.7
193.04964	7.2
193.08652	1.1
205.04895	2.1
207.06519	2.5
211.05991	4.6
211.09663	1.9
217.04953	0.9
229.04964	1.3
235.06029	6.6
241.04936	0.9
245.04384	0.5
247.06018	2.8
252.09352	1.0
259.05978	2.5
275.09094	1.9
277.07028	1.8
287.05966	0.6
287.09042	4.8
295.07953	0.5
299.09036	3.8
313.64481	0.4
317.10175	6.5
341.10126	9.5
353.10168	8.0
365.10156	2.7
383.11221	2.2
401.12408	1.1
437.21387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
56.96555	1.1
57.03422	1.0
66.74551	0.6
69.03416	1.2
71.02745	0.5
71.04993	3.7
71.06315	1.7
76.74924	0.6
81.03410	1.9
85.02893	8.1
97.02879	1.5
109.02848	1.7
127.03903	100.0
128.04254	1.1
129.05463	0.8
145.05051	0.9
158.52557	0.6
163.03897	0.7
191.03336	0.9
201.01834	1.0
219.02953	0.8
221.01212	0.7
229.01402	1.2
231.02748	1.0
247.02350	2.1
257.00812	1.6
259.02368	1.0
265.00412	0.8
273.00272	1.0
275.01868	2.6
277.00421	0.8
277.03275	1.3
283.01062	0.7
289.09204	2.8
303.01337	11.6
304.99557	0.8
323.00674	1.1
339.00314	1.1
360.98212	0.8
366.99637	0.8
376.98175	1.3
392.97485	1.0
394.99338	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01857	2.5
55.05508	7.1
57.03423	2.2
63.47409	1.2
64.14902	1.5
64.84023	1.3
65.03928	8.7
67.05481	4.1
69.03411	6.4
69.07058	1.9
70.06577	2.3
71.04988	1.5
71.59871	1.9
73.02902	6.0
79.05497	10.9
81.03392	6.3
81.07030	3.7
82.04180	2.7
83.04981	1.8
85.02916	10.0
89.03918	1.7
91.05479	10.5
93.03373	4.2
93.07028	3.4
95.04958	6.5
97.02865	2.4
97.06506	3.9
100.07615	1.3
100.11254	12.0
103.05461	3.0
105.07014	5.2
106.04180	6.9
107.04944	15.6
107.08620	1.9
109.02851	2.3
109.06557	1.9
109.10102	1.5
110.03649	2.3
111.04454	6.9
115.05431	3.3
117.07004	3.9
119.04911	1.8
119.08545	1.6
121.06521	11.2
123.04422	4.8
124.05171	3.9
125.05960	5.7
127.03883	5.5
128.06206	1.9
128.07082	3.0
129.06999	3.4
131.04935	5.0
131.08548	2.2
133.02864	2.2
133.06480	4.9
133.10149	1.8
134.03596	2.4
137.02321	3.2
137.05959	3.9
138.03134	2.6
141.06944	2.2
144.05685	3.9
145.02791	2.6
145.06471	9.1
147.04402	3.2
147.08054	1.5
149.05957	11.1
149.09669	1.9
151.07521	2.1
152.04657	1.9
153.01790	7.7
153.05360	1.9
153.09116	5.0
155.05930	2.5
155.07088	2.6
157.06412	1.9
159.04433	1.6
159.08043	4.5
161.05966	6.5
161.09619	1.6
163.03926	1.7
165.05563	1.9
167.07028	51.6
171.06487	6.8
172.05183	8.4
173.05946	7.1
177.05493	11.6
177.09117	1.4
177.25984	1.4
180.85573	1.3
181.04944	100.0
181.08359	6.6
182.05293	2.9
182.15456	8.1
187.07596	8.4
189.05421	4.8
191.07036	3.2
193.04967	3.2
193.08498	2.2
195.06435	2.6
200.04597	4.4
201.05405	6.9
203.06943	2.2
205.08600	5.9
206.05652	1.7
207.06517	2.4
208.07315	1.5
209.08055	17.8
209.16434	2.6
210.14868	9.3
218.05719	3.9
219.10197	6.0
221.08083	5.2
225.07536	3.2
229.04938	6.1
233.08044	55.4
234.08388	2.4
235.09583	2.9
245.07956	3.1
251.09138	2.4
257.04352	2.7
263.09125	9.5
273.12460	7.6
279.09891	1.9
285.03986	2.8
291.06564	1.6
303.04974	83.6
304.05209	4.8
307.09787	2.3
309.07639	2.5
326.28091	2.2
330.11215	1.6
353.75769	1.6
355.11615	3.3
363.11499	2.9
367.11636	2.9
368.12476	1.5
371.14789	2.3
372.11884	2.4
381.13287	2.1
387.14279	8.3
399.14426	4.6
417.10049	1.9
417.15427	28.9
435.09100	10.5
435.19925	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	435.092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01831	0.3
68.99760	0.3
69.03408	0.4
69.07037	0.2
70.06561	0.2
71.60229	0.3
73.02901	0.6
79.05431	0.2
81.03373	0.3
85.02864	0.9
85.06495	0.9
86.06843	0.2
86.09664	0.4
90.68320	0.2
91.05409	0.3
95.08565	0.3
97.02868	0.3
105.79623	0.2
107.08568	0.4
107.89038	0.3
109.02841	0.2
112.16480	0.2
133.02797	0.5
149.13217	0.3
151.03920	1.4
153.01805	4.7
161.06049	0.2
167.06999	0.5
171.02870	0.6
175.07408	0.2
177.01823	0.3
179.17252	0.2
181.04982	0.2
185.05881	0.3
189.05431	0.3
201.05623	0.2
203.03314	0.9
213.05476	0.6
229.04947	0.8
231.06496	12.0
251.02855	0.2
257.04425	2.0
271.06125	0.4
273.07550	10.1
285.03860	0.9
303.04959	100.0
304.05331	2.7
435.09195	15.4
435.18997	0.4
436.09525	0.7
448.71649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0919
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.50541	0.4
52.59192	0.4
57.03181	0.6
57.03433	6.5
61.02908	1.3
64.79963	0.3
66.33066	0.3
68.99777	0.8
69.03419	0.9
70.06604	0.4
70.71159	0.9
70.71474	0.4
73.02908	13.3
85.02888	0.5
87.15045	0.4
91.89486	0.3
93.03378	0.5
95.04957	0.7
103.98244	0.3
109.02869	0.4
111.00803	1.0
115.03921	0.7
121.02837	1.4
121.03825	0.3
127.03833	0.6
131.08536	0.3
131.25185	0.4
137.02319	4.0
145.06476	0.6
153.01822	4.8
159.08031	0.9
161.05971	0.6
163.03912	1.1
165.01814	2.5
166.02466	0.4
173.05997	0.8
173.95898	0.4
183.02910	0.9
183.04413	0.5
187.03923	0.8
187.07477	0.6
187.49747	0.4
194.02112	0.4
201.05458	2.4
204.07701	0.3
229.04939	4.6
233.08034	0.4
247.06042	1.1
249.11255	0.8
257.04434	3.1
274.04715	1.0
277.10825	0.6
285.03979	1.3
298.32278	0.4
303.04959	100.0
304.05219	3.0
311.09119	0.5
339.08676	0.9
353.09912	0.6
354.10757	0.7
357.13257	0.5
403.13629	0.6
417.15366	0.6
435.09833	0.4
435.16135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.03934	0.6
55.01862	1.3
61.02907	0.9
62.46069	0.5
64.60915	0.5
65.09447	0.5
66.76288	0.5
68.99806	0.5
69.03419	2.4
69.41032	3.0
69.41447	1.5
71.04992	0.7
73.02914	0.9
79.05479	0.5
81.03402	1.4
81.07036	1.1
83.01315	0.6
85.02892	5.8
85.06518	2.1
85.95679	0.5
86.09742	0.5
91.05452	1.5
93.07046	1.1
95.04986	0.8
97.02876	1.8
98.20769	1.0
99.04388	0.5
105.07022	0.7
107.04946	1.3
107.08585	1.0
108.45200	0.5
109.02853	0.9
119.04929	3.7
119.08617	0.4
120.08091	0.5
121.02834	0.9
121.10163	0.5
123.04408	1.5
127.03906	0.9
129.06998	0.6
133.06462	0.8
135.04434	0.6
147.04396	14.4
151.03891	0.7
153.01814	31.0
157.06500	1.3
161.06010	0.7
163.03833	0.6
167.06960	0.7
171.02901	1.7
171.04346	1.0
175.03862	0.7
175.07541	1.0
177.05418	0.7
181.05006	0.8
185.05945	1.2
189.05394	1.4
195.02832	0.9
199.03822	1.5
203.03334	1.0
203.07001	1.6
212.04564	0.7
213.05493	3.6
216.04099	1.4
217.01300	1.0
217.04948	0.8
218.02010	0.7
227.03349	2.4
229.01271	1.1
229.04964	0.9
230.05760	1.1
231.06500	65.6
232.06851	1.7
244.03595	1.3
245.00720	0.6
245.04390	0.9
255.02774	2.8
257.04303	0.8
259.02365	0.9
272.03122	1.6
272.06107	0.9
273.07544	100.0
274.01047	1.3
274.07806	3.8
275.01636	0.7
283.02264	2.9
285.00296	1.9
285.07568	0.8
287.01721	0.6
300.02658	3.5
300.99722	2.1
301.03418	2.5
303.04965	32.3
304.05170	1.3
311.01682	4.2
315.09006	0.7
327.01373	0.9
328.02087	3.7
329.02872	4.1
339.01453	3.9
339.08325	0.8
343.00827	2.1
356.01654	3.7
357.02328	4.4
358.02441	0.6
369.04318	0.6
375.03491	1.0
385.01852	42.8
386.02374	3.4
387.13428	0.5
403.03033	0.5
417.04471	28.9
418.04486	2.5
435.05142	2.6
435.09317	3.3
435.21619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05510	1.8
56.96540	0.2
57.03416	0.8
57.07050	0.2
61.02903	0.5
65.03924	0.5
67.05501	0.2
68.99796	0.9
69.03407	0.4
69.71796	1.1
70.06550	0.3
73.02908	3.4
75.86600	0.2
79.05482	0.3
81.03407	0.4
82.02307	0.2
82.06559	0.5
83.04964	0.7
83.08605	1.1
84.08163	0.2
85.02884	0.5
91.05448	0.5
93.03393	0.7
93.07034	0.3
93.18757	0.3
95.04935	0.5
95.08567	0.2
97.02881	0.3
99.94312	0.2
100.07600	0.6
100.11244	4.9
101.11581	0.2
105.07005	0.3
106.04116	0.2
107.04922	0.4
107.08569	0.2
109.02861	0.6
109.10123	0.3
110.06032	0.2
111.00812	1.3
111.04427	1.2
112.07544	0.3
114.79073	0.2
115.03920	0.6
115.05416	0.2
117.13853	0.2
121.02874	1.4
121.06480	0.4
123.04433	0.4
126.09161	0.3
127.03919	0.3
127.30092	0.2
128.07074	0.8
131.04890	0.2
133.02824	0.2
133.04959	0.3
135.04361	0.4
137.02325	4.3
137.03346	0.2
137.05966	0.4
140.07043	0.4
141.11465	1.2
145.06506	0.2
149.02330	0.8
149.05974	0.6
153.01825	5.8
155.04933	0.4
155.06969	0.7
155.11194	0.2
161.05986	0.4
163.03879	0.8
165.01817	2.6
166.02577	0.3
166.15932	0.3
167.07013	0.5
173.06004	0.5
177.05435	0.8
177.12604	0.3
181.04926	0.9
181.08591	0.4
182.15384	3.7
183.02853	1.0
183.04332	0.4
187.03864	0.7
191.03317	0.2
191.07047	0.2
195.02927	0.2
199.18117	0.3
201.05450	2.7
204.66470	0.2
205.04947	0.4
207.02846	0.3
209.06129	0.2
209.08104	0.7
209.16495	0.7
210.14880	3.8
211.15135	0.3
213.05489	0.2
217.04893	0.2
219.06534	0.4
227.17618	0.4
228.04268	0.2
228.15967	0.4
229.04930	5.8
233.08066	0.3
239.03413	0.2
240.67438	0.3
245.18633	0.4
246.05217	0.2
247.05992	0.8
257.04407	3.6
268.21478	0.8
268.71558	0.3
274.04669	0.7
275.05457	0.5
285.03900	1.5
302.04242	0.2
303.04959	100.0
304.05264	3.2
304.20715	0.3
326.28024	0.5
331.74402	1.1
332.24542	0.3
337.21152	0.4
338.01645	0.2
340.75049	0.2
341.25189	0.2
344.13165	0.2
353.75900	1.0
363.11664	0.7
363.61804	0.2
387.12823	0.3
417.29089	0.7
426.29486	0.4
435.09241	5.1
435.19708	0.7
435.33145	0.5
436.09415	0.3
453.33893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74968	0.3
55.22140	0.3
71.13593	0.7
79.21655	0.3
85.97306	0.3
96.01859	0.5
117.48825	0.3
125.26400	0.3
154.99516	0.3
169.01114	0.8
181.01039	0.7
211.02168	0.9
212.02811	1.8
212.37735	0.3
213.03714	1.1
225.03705	0.6
229.03174	18.5
285.05746	3.7
313.01804	0.4
315.03143	1.3
343.02695	1.0
345.04385	0.4
357.04303	0.4
375.05304	16.4
417.06323	2.7
435.07416	100.0
436.07745	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	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01847	0.2
57.03434	1.8
61.02933	0.5
61.99567	0.1
65.03918	0.3
68.99787	0.7
69.03425	0.8
70.69841	0.3
71.01318	0.4
73.02914	3.8
80.24812	0.1
81.03393	0.3
85.02509	0.1
85.02898	1.0
93.03372	0.4
95.04935	0.3
97.02879	0.9
107.04923	0.1
109.02870	0.6
109.70465	0.1
111.00134	0.1
111.00803	1.2
111.04354	0.1
115.03285	0.1
115.03933	1.1
117.06949	0.1
121.02865	1.3
123.04391	0.4
127.03925	0.2
135.04364	0.3
137.02332	4.2
137.03348	0.2
137.05824	0.1
145.06435	0.2
147.04355	0.1
149.02335	0.5
153.01816	5.1
155.04868	0.4
159.04358	0.1
161.05980	0.4
163.03891	0.8
165.00508	0.2
165.01826	2.6
166.02530	0.3
167.03236	0.1
171.02908	0.1
173.05988	0.6
177.01840	0.1
177.05440	0.2
179.03395	0.2
183.02844	1.1
183.04407	0.5
186.41315	0.1
187.03854	0.5
191.03442	0.2
191.07016	0.1
195.02875	0.4
195.61311	0.1
201.05463	2.2
202.05710	0.1
205.04993	0.4
207.02856	0.1
213.05524	0.2
219.02954	0.2
219.06487	0.3
225.09506	0.1
228.04134	0.3
229.04948	5.7
230.05371	0.2
231.02995	0.1
239.03294	0.2
243.02783	0.1
245.04520	0.2
247.06004	1.1
257.04410	3.7
274.04706	1.0
275.05383	0.5
285.03885	1.6
286.04660	0.2
301.03424	0.2
302.04144	0.3
303.04965	100.0
304.05304	2.8
327.05002	0.2
345.06039	0.5
417.08215	0.2
435.09207	14.8
436.09882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
56.96545	0.6
57.30385	0.4
59.98413	0.4
63.02396	0.5
64.05779	0.4
67.01834	0.7
67.25717	0.4
68.99775	0.7
69.03403	1.5
69.84213	0.4
71.01332	0.9
71.59888	0.7
79.05458	0.7
79.92464	0.4
81.03387	0.6
83.01305	1.5
83.08579	0.5
85.02884	2.9
85.06502	1.1
89.06020	0.5
91.05458	2.1
95.04926	0.7
97.02872	1.1
105.07006	0.7
107.04918	1.5
109.02831	0.7
115.05452	0.6
119.04942	5.1
121.02826	1.4
121.06508	0.7
123.04404	1.6
140.34286	0.5
143.04791	0.5
147.04391	21.1
149.02271	0.5
149.05984	0.5
153.01811	39.8
161.05966	0.8
162.68605	0.4
163.03998	0.6
165.01910	0.5
167.06981	1.0
171.02821	2.0
171.04410	1.8
175.03891	1.0
177.01848	0.8
177.05467	0.7
179.03331	0.7
181.04900	1.3
183.02866	0.5
183.04391	0.5
187.03879	0.5
188.04578	1.1
189.01849	0.6
189.05486	1.4
191.03343	0.8
195.02893	1.1
199.03877	2.2
201.01765	0.5
203.03397	1.2
215.03433	0.8
216.04173	3.1
217.01355	2.1
217.04866	1.2
218.02072	1.7
219.02850	1.0
226.02686	0.4
227.03284	3.2
229.01343	1.9
229.04871	0.7
231.02818	1.6
231.06491	8.7
233.00647	0.4
233.08127	0.5
242.99286	0.6
243.02922	1.1
244.03696	3.2
245.00842	1.2
245.04417	2.5
247.02383	0.5
254.99190	0.5
254.99878	0.5
255.02815	5.7
255.06706	0.6
257.00778	0.8
258.01593	0.5
259.02405	1.5
261.00320	0.6
272.03027	1.9
272.06024	0.6
273.07538	64.4
274.01041	2.8
275.01901	2.4
282.01700	0.6
283.02350	5.7
285.00247	3.7
285.03174	0.5
285.07568	0.9
287.01840	1.4
291.01379	0.9
292.01996	0.8
300.02615	7.5
300.99741	4.8
301.03391	7.2
303.01532	0.8
303.05002	7.7
311.01813	8.8
312.99802	1.1
315.01352	0.5
316.99390	0.5
327.01410	2.3
328.02084	6.8
329.02820	8.4
339.01340	8.0
343.00836	1.4
356.01605	9.3
357.02399	11.5
367.00598	0.9
375.03619	0.6
385.01849	100.0
386.02301	1.5
403.02847	2.1
417.04474	61.9
435.05316	8.3
435.10611	0.5
435.22031	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97666	7.2
55.05493	8.6
56.96545	15.9
57.03429	7.2
61.02902	6.1
65.03929	8.4
67.05486	16.5
69.03421	12.5
69.07051	7.4
71.04987	35.0
71.59963	13.2
73.02882	10.8
75.04481	7.3
79.05497	9.2
81.07041	24.2
83.04964	16.4
85.02917	43.7
87.04482	8.5
91.05466	19.7
93.07037	25.5
95.04947	7.3
95.08570	20.0
97.02852	10.0
105.07018	25.6
106.93610	7.9
107.04976	9.6
107.08575	19.2
109.10162	11.3
119.08581	11.5
121.06543	8.0
121.10156	10.8
127.03854	6.6
131.04939	13.3
132.34430	7.5
137.02374	6.3
145.06490	7.8
145.10048	10.6
150.07730	6.7
153.00662	7.9
153.01817	23.7
159.11697	9.8
167.07053	23.3
177.05438	9.5
181.04932	54.2
181.08597	7.1
182.05255	10.0
182.11378	8.4
182.51328	7.6
191.11879	7.0
201.16443	9.1
226.98685	15.8
233.08060	18.2
238.39949	7.4
258.05151	9.8
259.05740	10.5
263.14011	12.8
270.04517	7.3
272.14645	9.7
285.03708	8.7
286.04364	11.5
289.93295	7.1
292.65991	9.4
301.07104	34.8
302.04218	10.6
302.07394	100.0
303.04919	88.8
303.07837	12.5
353.16934	8.9
387.14880	7.2
404.14301	9.1
417.15173	9.8
434.11511	12.1
434.19604	10.4
435.09116	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	434.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99343	0.8
53.03945	0.7
55.05498	1.3
55.35051	0.8
57.03419	1.2
66.91300	0.9
67.05489	2.1
69.03425	2.0
69.07066	6.5
71.04986	5.7
71.15284	1.9
73.02923	1.4
79.05486	1.8
81.03397	1.2
81.07050	3.0
82.84428	0.9
83.08627	1.1
85.02901	3.9
85.06540	26.7
91.05477	2.5
93.07033	7.8
95.04971	1.2
95.08570	2.0
97.02866	1.3
105.07006	2.5
107.08591	8.8
109.10104	1.3
119.04982	1.0
119.08582	1.1
121.10138	4.5
127.03915	1.3
133.06487	0.9
135.11684	0.9
137.09648	1.4
147.04410	1.3
149.13239	11.0
151.03816	1.8
153.01828	7.6
167.63622	1.0
177.05544	1.6
181.04938	1.3
189.05585	1.0
201.16423	1.2
213.05498	2.3
229.05061	1.2
231.06494	35.5
257.04346	1.1
271.05978	0.9
272.06259	4.0
273.07553	32.3
303.04968	100.0
346.30554	0.8
385.01794	1.1
417.04434	1.1
435.09189	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	434.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.6
57.63565	4.6
67.05499	11.4
69.03421	7.1
70.30592	16.4
70.31011	7.1
71.04990	44.3
79.05478	7.7
81.07040	16.0
84.08122	5.1
85.02898	14.7
85.06052	9.0
85.06541	100.0
88.96074	5.1
91.05439	7.6
92.29879	5.2
93.07029	35.7
95.08592	13.7
105.07005	8.2
107.08569	26.6
109.06439	5.4
109.10146	13.0
119.08548	7.0
121.10122	6.2
123.11735	9.4
133.10097	6.2
135.11685	23.2
137.09601	8.4
145.04929	7.6
145.10091	9.9
147.11668	6.6
149.13234	9.6
151.11153	12.0
172.38300	5.2
177.84488	4.9
190.72093	6.0
203.17986	6.6
271.51877	5.2
275.70917	4.5
303.05185	10.0
336.95627	5.6
385.02167	5.6
434.20883	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82310	1.9
55.01863	6.5
57.03435	15.9
61.02921	12.9
69.03420	31.7
69.99492	6.8
69.99906	3.2
72.33726	2.0
73.02911	71.1
81.03424	6.3
85.02898	100.0
87.04478	4.5
91.03958	5.1
92.82968	2.6
97.02881	59.4
98.21454	2.1
99.04454	6.6
103.03924	2.7
105.07012	12.8
109.02885	6.2
115.03918	27.7
125.07407	2.1
127.03914	27.8
133.04951	25.8
145.04958	45.9
145.06128	2.6
149.47125	2.2
153.01825	7.2
163.05995	21.8
165.01779	2.6
183.91792	2.2
187.52956	1.7
201.09142	5.8
223.06029	4.0
241.07043	5.4
259.08188	9.1
275.81348	1.9
277.09241	2.9
283.06030	4.6
284.06299	12.5
285.13214	4.2
302.16003	3.4
310.07870	4.9
313.07077	2.6
314.07391	7.2
324.09338	3.3
338.07428	5.5
342.28940	1.9
350.07507	2.4
368.08377	2.1
380.08496	3.7
398.09659	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	433.2346
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03938	4.8
55.05511	13.1
57.03432	10.4
57.07078	5.0
61.22943	2.1
67.05497	65.6
69.07060	12.3
71.59547	2.5
71.59969	3.2
79.05482	41.9
81.07046	70.1
83.08605	8.1
83.29511	2.1
85.06529	3.5
87.61414	2.0
91.05469	19.5
93.07030	47.7
95.04919	4.1
95.08595	55.0
98.98458	98.3
99.08073	2.6
105.07024	16.2
107.08574	34.9
109.10152	24.5
116.62908	2.1
117.06995	3.9
119.08557	15.1
121.10137	25.8
123.11702	10.5
125.74905	1.9
131.08553	13.3
133.10077	10.4
135.11674	18.4
137.13226	4.8
145.10117	15.2
147.11658	8.0
149.13243	13.5
155.01016	9.5
159.11713	10.4
161.13240	7.6
161.73373	1.9
163.14790	8.5
173.02069	18.7
173.13232	10.8
175.14842	2.9
177.16464	2.7
187.14742	3.3
201.16296	2.6
233.22740	3.3
243.21001	14.3
261.22110	54.8
317.24713	9.5
335.25742	100.0
336.26132	4.6
415.22116	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01859	2.5
57.03432	31.5
59.04990	1.4
61.02922	14.5
68.99812	0.6
69.03423	34.1
69.71545	2.5
69.71973	1.4
71.01339	3.3
71.04976	1.7
72.04513	0.9
73.02910	64.2
73.39188	0.5
75.01121	0.5
81.03416	6.8
83.01332	0.6
85.02895	100.0
86.03236	1.0
87.04452	4.2
91.03941	4.8
91.05443	0.6
94.41885	0.5
95.04932	0.6
97.02882	57.9
97.71960	0.5
99.04441	5.3
103.03951	1.2
103.05495	0.6
103.82365	0.5
105.06334	0.4
105.07013	11.7
109.02864	9.6
115.03915	38.0
116.04230	0.8
117.07002	1.1
119.04916	1.0
119.08540	1.1
120.05278	0.7
121.02874	2.4
122.03219	0.8
127.03902	31.2
129.07028	1.0
132.06538	2.0
133.04956	10.9
133.06433	3.0
137.02344	1.1
143.08563	0.6
144.06616	1.3
145.04942	50.5
146.05325	1.2
147.04308	0.6
147.08046	2.0
148.19896	0.6
149.02361	0.6
150.07611	4.7
153.01817	3.3
153.65504	0.5
159.08043	0.8
162.07622	1.4
163.03903	1.5
163.05997	22.3
165.01840	3.5
166.02199	1.7
167.03380	1.1
168.03726	0.8
177.05476	0.7
180.08659	1.5
181.04875	0.6
183.02888	1.8
184.03270	1.1
189.07051	0.4
189.09132	1.2
193.04962	1.2
195.02904	0.8
199.05949	0.6
201.09097	3.5
219.10172	2.7
223.05959	4.9
229.05003	1.6
231.10252	1.6
241.07021	4.4
249.11240	1.8
257.04349	1.2
259.08121	5.7
267.06641	0.7
268.06973	2.0
271.05997	1.2
272.06216	1.3
281.08093	0.6
282.08496	2.0
283.06006	8.4
283.08591	0.4
284.06332	27.6
285.06876	3.7
285.13278	6.3
295.07178	0.5
295.10059	3.4
296.06400	2.5
296.09860	1.0
298.07916	0.9
302.15927	1.3
303.01526	1.3
303.04959	23.5
308.06476	0.9
309.07410	1.3
310.04584	1.1
310.07840	6.7
313.06995	4.3
314.07373	17.0
315.07654	1.0
322.07968	1.0
323.09189	1.3
324.09415	3.7
334.07898	1.3
336.05750	0.6
337.06998	1.3
338.07361	10.7
339.08228	0.6
350.07336	2.7
352.08908	1.3
362.07346	3.5
368.08359	6.0
380.08463	6.0
381.09030	0.7
383.72699	0.5
398.09549	6.3
399.10269	0.7
416.10736	2.3
434.12006	0.6
434.20242	1.3
435.09323	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	433.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35121	3.5
55.05510	11.1
57.03430	8.4
57.07064	3.6
59.51018	3.4
59.85730	3.7
65.03933	2.9
65.89981	3.0
67.05499	41.7
69.07056	9.1
70.46906	8.9
79.05487	33.8
79.33746	3.2
81.07048	46.5
83.08603	7.1
86.09699	4.8
87.97375	3.5
91.05473	19.1
93.07037	42.9
95.04958	6.4
95.08597	41.7
98.97846	6.5
98.98462	100.0
101.59116	2.9
105.07024	12.1
107.08591	31.8
109.10154	22.7
117.06997	6.5
119.08578	15.7
121.10144	27.7
123.11709	8.2
131.08571	13.6
133.10132	10.6
135.11685	17.5
137.13249	4.5
138.04547	3.1
145.10100	10.2
147.11696	9.3
149.13235	15.1
155.01018	19.6
159.11714	10.7
161.13226	4.1
163.14819	9.1
173.02130	14.1
173.13251	11.4
176.06720	3.2
184.07378	2.9
187.14883	6.5
200.93303	3.5
214.63168	2.9
233.22598	3.5
243.21022	17.1
261.22092	60.5
277.00775	4.2
317.24808	6.8
335.25717	41.1
405.16208	12.1
415.22580	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	433.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08990	6.9
53.03934	9.0
55.01855	21.9
55.05508	35.7
57.33767	7.1
67.05495	46.3
68.80541	6.5
69.03423	12.9
69.07056	29.7
71.59689	8.9
79.05488	51.4
80.59837	5.9
81.07052	80.9
83.04979	7.1
83.08611	15.9
85.06529	10.0
89.81071	7.9
91.05458	68.7
92.67567	6.8
93.07024	48.4
95.04958	19.1
95.08610	34.9
97.06531	6.6
97.10134	11.1
103.05433	10.4
105.07010	52.5
107.08581	23.7
109.02925	8.4
109.06505	10.7
109.10143	13.0
115.05469	22.3
117.07007	41.1
119.04964	15.3
119.08540	37.5
121.06536	12.1
121.10161	26.0
128.06247	12.4
129.07008	33.9
130.07758	7.8
131.04938	17.5
131.08553	39.7
133.06470	22.6
133.10114	16.3
135.04408	7.9
135.08081	12.2
142.07874	8.5
143.08540	28.4
145.06471	22.5
145.10123	19.6
147.04384	14.1
147.07997	9.7
147.11661	18.8
149.09628	10.4
151.03915	7.1
153.06958	10.5
154.07722	8.5
155.08484	17.4
157.06439	12.8
157.10141	17.4
159.04405	8.8
159.08022	18.5
161.05977	14.3
161.09636	13.5
163.03955	9.7
165.12738	8.6
167.08531	11.0
169.06419	10.9
169.08517	6.9
169.10097	11.6
171.04402	10.3
171.08017	19.9
171.11671	15.8
173.05994	19.6
173.09660	12.3
173.13448	10.2
175.03943	9.1
175.07625	11.2
175.11107	9.5
177.05473	10.7
179.08612	8.9
183.08052	14.1
185.05965	23.0
185.09604	16.8
187.03889	12.1
187.07521	13.9
189.05470	9.7
191.10788	7.6
197.09616	9.5
199.03893	19.8
199.07516	8.2
201.05501	18.6
201.09140	14.2
202.05951	7.3
203.06996	13.1
211.10994	7.6
213.09155	16.1
215.07054	13.4
215.10596	9.9
217.05098	12.3
217.08545	22.0
225.09108	12.7
227.10725	12.3
229.08519	13.2
241.08694	15.0
243.10136	18.8
273.18689	10.3
277.10501	8.0
309.18277	9.4
327.19504	27.7
345.13168	11.2
349.17789	7.5
351.19354	18.0
355.19211	38.2
363.14368	23.8
367.18948	29.0
369.20456	12.9
373.16904	13.5
379.18967	21.5
387.07074	8.3
387.21490	14.0
395.34787	10.1
397.20111	60.3
403.10123	63.5
415.21149	58.6
418.12610	10.5
433.14890	100.0
433.21875	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1123
Annotation	Isovitexin
Peak:m/z	Relative Intensity
70.75294	2.6
121.02837	11.2
127.03864	1.4
145.02840	2.7
163.03917	2.8
165.01799	8.5
167.03368	2.2
180.66444	1.2
183.02856	3.9
191.03337	1.3
197.51019	1.3
217.05080	1.9
229.04819	1.4
255.06464	2.1
256.07251	2.4
267.06537	5.4
270.05157	2.3
271.05978	5.6
279.06619	1.5
281.08032	5.7
283.05963	100.0
284.06717	11.3
295.05969	12.1
295.09360	3.0
297.07581	6.1
305.08115	1.9
307.06116	1.5
309.04001	2.6
309.07471	21.1
313.07004	76.5
314.07306	1.8
323.09085	16.7
325.07083	2.3
333.07425	4.0
337.06967	33.9
343.08090	2.1
349.06967	8.7
351.08713	2.9
361.07043	7.2
367.08127	19.1
379.08035	19.8
397.09152	23.1
415.10214	17.5
433.11301	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.69992	0.6
55.05490	0.8
57.03426	3.5
61.05943	0.6
65.18832	0.6
66.60300	0.6
66.70908	0.6
67.12146	0.6
69.03426	0.7
70.15485	2.6
71.04990	25.6
72.79876	0.6
73.02925	0.8
75.04480	0.7
83.04972	0.9
85.02899	24.5
90.01130	0.6
102.13535	0.6
111.00803	0.8
121.02867	3.2
129.05479	6.1
137.02380	0.7
153.01805	3.7
165.01787	1.4
183.02950	0.7
213.05461	2.0
241.04919	1.0
258.05276	1.4
283.06082	1.2
287.05481	100.0
288.05942	1.9
299.05527	1.9
308.28339	0.7
329.06500	2.4
332.85889	0.8
353.06436	1.6
354.28775	0.6
397.09070	1.8
433.20282	3.8
456.16153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1487
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.03869	0.4
55.05481	0.6
58.79625	0.4
60.18786	0.3
67.05457	0.7
69.03377	0.3
69.07021	0.4
69.29526	0.3
70.65761	0.7
70.66109	0.6
79.05456	1.1
79.87681	0.4
81.06996	0.4
84.87412	0.4
91.05434	0.8
93.06995	0.6
95.04846	0.4
95.08537	0.4
105.06964	0.7
121.02801	0.5
127.03885	0.4
129.06963	0.4
135.04379	0.6
147.11597	0.4
149.05928	0.5
151.07475	0.5
155.06964	0.5
163.03806	0.6
165.04149	0.6
165.05453	7.5
165.06818	0.5
175.07567	0.5
177.05412	0.6
178.06168	1.0
180.34192	0.4
183.02864	3.8
189.05466	0.5
191.07001	0.5
197.05881	0.4
203.06956	0.4
205.08470	0.7
211.02290	1.6
215.06900	0.5
217.04967	0.4
229.03200	0.6
231.06465	0.6
233.07834	0.7
243.06554	1.0
255.06398	0.5
257.04349	0.4
258.05090	0.4
261.07513	0.5
269.07990	0.5
271.06036	1.0
273.07443	0.5
274.04727	0.5
283.05972	0.6
285.03995	0.5
285.07574	0.7
286.08344	0.7
286.15948	0.4
287.05698	0.4
288.06192	0.6
289.07010	3.3
299.05508	3.2
300.05984	0.4
302.04156	0.9
311.05521	1.8
313.03439	0.8
313.07013	1.1
314.04361	0.6
314.07773	1.5
315.05026	0.4
315.08459	0.6
317.06546	4.8
325.03607	0.6
325.07138	1.1
327.04984	3.4
329.06601	1.4
329.10303	0.9
330.03604	0.6
331.07959	1.2
332.08917	0.6
339.05090	2.9
339.08658	0.6
341.02740	1.3
341.06485	1.4
342.07245	1.9
343.04327	0.6
343.08032	0.9
345.05975	9.6
354.07175	1.4
355.04404	1.3
357.05890	1.6
357.09756	2.6
359.07590	2.0
360.08347	3.9
369.05859	1.1
369.09894	0.5
370.06766	1.7
371.07504	1.1
373.05450	4.8
375.10770	2.0
385.09180	6.3
387.06857	5.3
388.07785	5.4
399.10803	1.0
400.11313	1.6
403.10187	69.8
404.10580	4.8
415.21011	0.5
417.11682	3.6
418.12503	12.1
419.12854	0.6
433.14893	100.0
434.15201	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	431.3879
Annotation	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.05495	15.7
57.07063	12.9
59.11013	5.2
62.26875	6.0
67.05482	23.4
69.07061	34.3
71.08574	12.8
71.08913	10.1
79.05486	11.7
81.07044	41.0
81.07436	6.1
82.05253	5.2
83.08588	17.0
85.10176	13.2
89.29992	5.7
91.05485	14.9
93.07040	27.8
95.08611	56.7
97.10150	12.9
105.07029	35.5
107.08585	24.7
109.10126	23.7
111.11693	6.3
119.08567	21.3
121.10129	18.0
123.11755	9.4
131.08536	20.0
133.10091	24.0
135.11676	13.1
137.13185	5.3
137.37167	5.4
143.08482	8.5
145.10098	19.1
147.11661	17.3
157.10130	6.9
159.11699	42.1
161.13237	14.5
171.11700	8.8
173.13228	12.1
175.14682	6.5
177.12740	6.7
185.13213	11.3
187.14824	12.9
199.14781	5.6
201.16350	10.7
213.16414	12.7
215.17802	8.7
241.19485	8.2
255.21078	8.0
395.36633	46.0
413.37778	100.0
428.92709	7.5
431.39017	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	431.3882
Annotation	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.05498	11.9
56.96582	3.6
57.07071	17.7
61.02888	3.7
67.05495	14.4
69.07058	19.8
71.08630	14.4
71.59924	4.4
79.05479	14.6
81.07045	38.2
83.08600	7.6
85.02899	4.4
85.10173	10.5
91.05458	10.4
93.07033	18.3
95.04929	7.9
95.08607	28.2
97.02901	2.6
97.10170	6.3
105.07041	15.4
107.08601	18.2
109.10126	17.8
111.11712	4.1
113.00042	3.8
117.07042	3.3
119.08574	9.2
121.10101	7.2
123.08038	9.7
123.11673	8.4
125.09609	3.9
131.08524	8.8
133.10110	10.1
135.11676	13.9
137.13220	2.8
145.10100	12.7
147.11673	8.7
149.13251	11.8
157.10103	4.5
159.11703	16.1
161.13228	8.6
173.13268	6.9
175.14801	7.1
177.16414	3.6
187.14815	6.7
200.98813	3.0
201.16383	5.1
213.16290	5.0
215.17950	5.6
227.17934	3.8
235.16869	3.6
241.19489	7.4
255.20959	4.9
259.20499	4.4
261.71100	3.2
289.28815	10.2
302.76523	3.5
311.27289	3.0
331.16010	3.3
349.16629	8.7
367.17926	3.7
395.36642	21.4
413.37781	100.0
414.38080	9.1
422.59509	3.2
431.27576	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	431.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.3
55.01859	11.3
55.05504	62.2
57.03425	5.7
57.07074	7.6
59.04975	4.7
65.03925	7.0
67.05172	6.5
67.05500	100.0
69.03411	9.0
69.07065	48.5
71.04987	9.3
71.59711	4.9
79.05492	56.8
81.03417	6.8
81.07049	72.1
83.04948	12.5
83.08602	33.1
85.08290	3.6
87.53576	4.0
91.05465	60.9
93.07031	59.3
95.04947	17.6
95.08595	60.6
97.06525	16.3
97.10162	40.6
102.96326	3.6
105.07016	45.2
105.54447	4.3
107.08591	50.8
109.06478	8.3
109.10149	39.8
111.08052	6.4
113.06031	4.0
115.05443	6.0
116.87767	4.1
117.06999	31.5
119.08579	41.2
121.10138	39.8
123.08051	5.6
123.11737	7.2
125.09624	38.5
128.06180	5.7
129.06947	22.2
131.08557	42.0
133.06500	5.6
133.10129	36.4
135.08038	11.5
135.11673	14.5
137.09578	14.1
139.11176	14.5
141.07001	5.0
142.07712	6.1
143.08549	23.1
145.06450	5.2
145.10089	34.0
147.08000	6.3
147.11658	24.3
149.09592	9.4
153.06958	4.3
155.08534	12.0
157.10120	18.6
159.11670	26.1
161.09593	5.4
161.13217	16.8
163.11143	6.8
169.10097	11.2
171.11662	21.9
171.12930	4.1
173.13220	22.4
175.11171	17.9
177.12717	4.6
181.10109	5.7
181.12079	4.8
183.11694	9.5
185.13240	15.6
187.14861	6.9
189.11252	20.5
197.13133	4.3
199.11285	4.1
199.14757	7.3
201.16418	11.4
211.13123	5.7
213.09711	5.5
217.19563	7.9
225.16457	5.8
227.17912	29.2
228.32907	4.3
229.19531	11.0
231.10750	10.4
237.16692	4.1
239.17863	5.5
245.19025	29.4
257.19000	4.5
259.20718	4.0
264.92416	4.0
275.20056	11.9
281.06665	6.2
291.08685	7.1
293.06668	37.0
294.03732	20.4
333.19049	9.2
351.20029	19.3
371.15082	33.0
377.28024	7.0
385.30969	4.6
395.29385	38.0
413.30399	41.9
431.31686	19.7
451.70392	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	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.8
55.01862	6.2
55.05504	14.1
56.96556	3.0
57.03430	31.1
57.07071	3.2
61.02918	60.8
67.05497	74.0
68.24121	2.0
69.03421	30.7
69.07062	23.2
70.06583	2.8
70.95148	4.5
71.01354	5.6
71.04990	11.1
73.02908	29.8
75.04461	3.6
79.05486	35.7
81.03403	29.1
81.07047	100.0
83.04969	11.5
83.08600	19.1
84.08205	2.3
85.02896	52.6
85.06535	6.0
87.04429	3.2
91.03935	32.8
91.05470	24.5
93.07034	65.6
95.04964	9.6
95.08598	28.3
97.02879	47.9
97.06527	17.5
99.04430	13.8
99.08078	6.6
101.02356	11.9
103.03947	5.0
105.07011	9.6
107.04931	3.9
107.08583	36.3
109.02866	15.9
109.06507	6.7
109.10146	5.7
111.08050	10.6
115.03912	6.7
115.05342	2.0
117.07002	12.4
119.08546	6.0
121.06477	3.4
121.10126	21.4
123.08054	3.0
123.11656	3.4
127.03901	30.5
131.08527	15.5
133.10144	10.8
135.08075	2.7
135.11665	15.1
137.05933	3.8
139.11130	3.4
141.16118	2.2
145.04961	6.7
147.11682	5.8
149.13239	74.0
151.11188	2.3
153.01834	3.3
158.24940	2.1
159.11674	27.9
159.12872	3.2
161.09554	2.4
167.07028	6.5
171.11617	2.4
175.83119	2.0
177.12733	20.9
183.06483	7.5
187.14920	2.5
195.13786	44.4
199.98222	2.3
201.07565	5.7
213.14809	5.1
222.34261	3.1
244.60056	2.6
252.20187	2.1
256.04697	2.3
269.17447	88.0
270.17776	2.5
286.87668	2.3
297.16846	5.0
299.01767	2.9
303.01379	4.8
311.05521	13.6
311.18439	7.5
324.06311	2.5
353.06650	2.9
371.07486	3.7
377.19437	3.3
380.80112	2.2
413.21774	3.7
431.22339	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	431.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	39.0
67.05499	5.0
69.07050	3.5
70.25846	4.9
70.26268	8.5
79.05481	6.4
79.56278	2.8
81.03411	7.6
81.07056	10.0
84.96038	4.5
87.88828	2.7
93.07042	6.7
95.08600	6.4
98.20851	3.6
98.97585	6.6
107.08607	5.4
109.10143	3.7
116.98631	10.5
119.08557	4.5
121.10159	2.9
134.99646	10.0
157.01755	3.4
162.83360	2.9
169.01714	3.1
181.01714	11.9
193.05058	3.7
199.02722	32.3
207.03329	3.3
209.05049	3.9
209.08429	4.0
221.04829	3.4
223.06404	3.4
225.04352	11.2
239.05968	6.3
239.09605	4.9
263.09586	6.9
265.11078	3.1
307.12076	4.6
325.14822	5.0
333.18973	6.7
343.15866	7.3
353.14215	19.0
359.15497	3.0
371.15240	84.3
389.16287	100.0
390.16635	5.1
394.16766	8.7
407.17490	7.8
412.17966	11.3
431.12692	3.5
431.17358	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63708	0.3
55.05500	0.5
63.23173	0.3
63.84661	0.3
67.05501	1.4
69.03406	0.9
69.07054	0.5
71.58481	0.4
71.58821	0.3
72.08145	0.5
72.46105	0.3
73.02909	0.4
79.05484	0.6
81.03400	0.9
81.07049	1.4
81.99683	0.3
83.04975	0.4
83.08630	0.3
84.08126	0.3
85.02887	0.8
85.06553	0.4
86.09712	0.3
86.28827	0.3
91.05448	0.4
93.07034	0.5
95.04942	0.3
95.08617	0.3
97.02869	1.2
100.92224	0.3
105.07042	0.3
107.08569	0.3
109.10106	0.6
119.08570	0.4
131.01945	0.3
133.10088	0.3
133.28438	0.3
148.30820	0.3
153.01797	0.4
175.47643	0.3
187.13351	0.5
192.07065	0.3
221.05087	1.0
243.15927	0.9
268.12408	0.4
269.13412	1.1
269.17383	0.8
287.18420	0.4
299.14496	1.4
317.14447	0.4
335.37564	0.3
369.03882	0.3
431.18820	100.0
432.19205	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	431.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	59.6
67.05505	1.9
69.07065	3.3
70.10443	8.7
71.95246	4.1
72.96047	1.6
74.97614	2.3
79.05476	3.0
81.07040	4.2
84.96020	4.2
91.05470	2.8
93.07040	6.5
95.08601	3.4
97.02859	2.3
98.20775	1.9
98.97580	2.4
98.98469	3.9
105.07028	2.7
107.08588	4.2
109.10145	2.9
116.98618	2.4
119.08573	3.1
121.10117	1.8
123.08145	1.8
123.11674	1.9
127.00652	2.2
133.10110	2.3
134.99663	3.0
135.11725	3.0
145.01741	6.1
149.13293	2.0
154.16545	1.5
155.00146	6.8
157.01697	10.7
169.01711	2.7
170.99567	2.1
171.03310	1.9
173.01219	29.5
175.02777	6.6
179.03745	2.1
181.01662	1.8
183.03299	5.1
185.04863	5.4
187.02856	2.6
191.02290	14.0
191.03818	2.3
193.05547	1.9
195.06903	2.1
196.02815	3.2
197.04849	16.7
199.02789	3.6
201.04375	4.8
207.06766	1.9
209.04836	3.7
211.02678	2.0
211.06375	13.7
213.04388	2.9
213.07892	9.0
215.05882	7.9
220.06499	2.0
221.04832	3.9
222.01994	2.6
223.06424	21.1
225.04317	2.1
225.07973	7.9
227.05960	5.1
229.07484	7.9
231.09044	5.5
238.07388	2.0
239.05925	7.5
240.02939	2.7
241.07442	51.4
241.19699	2.1
243.09102	2.8
246.08046	4.4
248.09525	1.9
259.08356	10.1
264.09058	4.1
282.09921	1.8
288.59860	1.6
311.13071	10.8
325.14767	2.9
327.16339	5.9
329.14243	5.7
331.15894	5.6
343.15714	7.6
345.17422	3.0
349.16998	9.4
359.15256	2.9
361.16821	23.5
363.18536	4.5
371.15164	11.2
378.71439	1.8
379.17813	3.9
384.18539	2.2
389.16302	100.0
390.16727	4.1
407.17355	40.0
412.17950	15.5
430.19006	4.4
431.17435	97.1
431.26480	38.9
432.17804	3.5
449.18668	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	83.1
58.16290	0.6
70.12650	1.0
70.12993	3.1
70.92282	0.7
71.95231	2.2
72.96006	2.3
74.97574	1.1
81.07012	1.3
84.96008	1.2
88.74293	0.6
91.05464	1.1
93.07032	0.7
95.08553	1.0
98.97584	1.4
105.06977	1.1
107.08573	0.9
109.10126	1.5
115.54443	0.7
116.98592	1.5
119.08537	1.1
121.10099	1.9
122.38420	0.7
126.09906	0.8
127.00652	2.4
131.08517	0.8
133.10097	1.0
137.02736	1.5
139.00552	1.2
143.40601	0.7
145.01677	3.3
155.00116	2.5
155.03767	2.8
157.01704	2.8
159.03252	1.0
163.02754	0.8
165.02338	0.9
169.05356	2.3
173.01170	3.8
174.53377	0.7
175.02873	1.7
177.05885	1.0
179.03745	2.0
181.01579	1.1
181.05180	1.8
181.69797	0.7
183.03271	2.8
183.06851	4.0
185.04816	0.8
187.02798	0.9
189.04269	0.9
191.02252	2.1
193.05344	1.5
195.03258	1.0
195.06924	5.4
197.04839	6.4
199.02838	3.4
199.06369	1.4
201.04308	2.4
205.05341	3.3
207.06836	1.1
209.04791	2.2
209.08441	0.8
211.06383	4.7
213.07965	8.7
215.05838	3.3
217.03726	1.0
221.04909	0.8
223.06395	8.3
225.04346	1.0
225.07935	3.8
227.05875	4.3
228.06831	1.0
229.07445	3.2
231.08939	5.0
237.04483	1.2
237.07968	1.2
239.05879	3.1
241.07425	27.5
242.07855	1.2
243.08968	2.2
245.06889	1.9
251.05896	0.8
253.07431	1.3
257.06873	1.2
259.08505	37.5
260.09012	0.9
261.10031	2.0
264.08972	1.6
271.08524	1.7
281.15643	2.0
282.10144	2.0
285.15295	1.6
299.16666	4.8
301.80829	0.8
303.12537	0.9
313.14685	1.1
315.16357	1.3
321.13644	1.6
325.14822	1.2
327.16269	2.9
329.14334	1.1
331.15805	8.6
343.15765	12.0
344.15945	0.8
345.17120	4.5
349.16800	9.8
349.20874	1.2
359.15314	3.6
361.16800	32.3
363.18338	10.0
364.18652	0.9
371.15244	10.2
377.16208	4.4
379.17917	4.8
384.18442	3.0
389.16302	100.0
390.16733	4.9
407.17352	42.7
408.17789	2.0
412.17877	10.7
430.18799	3.4
431.17374	59.4
432.17676	3.5
449.18271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0969
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
54.65416	0.8
55.01858	1.5
55.05492	3.3
66.12617	0.8
67.05489	3.1
69.03425	2.1
69.07063	2.1
71.59564	0.9
73.02900	8.8
79.05473	2.6
81.03394	1.5
81.07040	4.7
83.04979	1.6
83.08612	1.3
83.89807	1.1
83.94895	0.8
85.02877	3.3
85.06520	2.5
91.05446	2.4
93.07027	3.5
95.04951	1.9
95.08592	3.1
97.06535	5.2
105.07030	2.4
107.04940	1.4
107.08585	3.4
109.02859	1.0
109.06482	1.2
109.10156	1.7
112.07439	1.0
113.83796	0.9
116.98631	1.4
119.08625	0.9
121.02832	1.7
121.10120	2.3
123.08003	1.2
123.11664	0.9
126.61591	0.9
133.10149	1.3
136.07545	1.3
139.05412	1.5
147.04387	1.7
147.11673	1.8
151.07507	1.5
153.01839	6.2
155.04858	2.9
159.11594	1.1
161.05943	1.8
165.01830	1.6
165.06990	1.5
167.07040	4.1
175.14992	1.1
182.08160	2.3
183.02965	1.0
183.04469	3.5
195.08040	2.3
197.05933	1.1
199.03893	1.9
203.03377	1.0
211.03841	2.5
213.05553	1.8
215.03555	1.1
223.07544	2.0
225.05508	1.8
227.03400	2.2
229.04948	12.5
233.06079	0.9
237.05614	1.0
237.70068	1.1
241.04834	1.5
241.08548	1.2
243.02855	1.8
245.04446	1.7
251.07132	1.2
253.04974	2.5
255.02837	1.6
257.04440	1.5
258.05185	1.1
259.06110	1.7
269.08029	7.6
269.17389	1.2
271.02417	9.3
271.05603	1.5
281.04376	2.5
283.02341	63.9
284.02982	6.5
287.02219	3.6
287.05457	64.4
287.08743	3.1
288.05792	3.0
297.03961	2.6
297.07556	8.8
299.01843	18.5
299.05475	25.2
299.08813	1.4
301.03430	2.3
303.01291	2.3
309.03845	2.3
311.02069	1.8
311.05496	3.1
320.03369	1.4
325.03574	1.0
325.07010	23.6
326.07419	1.3
327.04947	100.0
328.05173	3.7
329.02805	3.0
343.08173	4.1
353.06531	7.6
371.07568	37.5
372.07773	2.1
385.09259	2.0
399.07083	12.2
431.09592	3.3
436.44528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.097
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
53.03926	0.3
54.63686	0.1
55.01873	0.9
57.03423	0.8
61.02903	0.3
67.05480	0.2
68.99491	0.1
68.99775	1.4
69.03379	0.5
70.06553	0.2
72.08112	0.4
73.02859	0.5
79.05422	0.2
81.03409	1.0
85.02908	1.5
86.09698	1.2
89.03870	0.5
91.05473	0.9
92.99721	0.4
93.03361	0.2
93.06995	0.2
95.04951	0.8
95.06348	0.1
96.38221	0.1
97.02891	1.0
99.04449	0.2
103.03902	0.2
103.05408	0.3
104.99660	0.2
105.03383	0.2
107.04958	0.8
107.05524	0.2
109.02193	0.2
109.02875	1.4
111.04371	0.2
115.03855	0.2
115.05380	0.3
117.03346	0.2
119.04875	0.6
119.10642	0.2
121.02866	1.3
121.06472	0.2
123.00785	0.3
123.04397	0.2
127.03854	0.4
131.04861	0.4
133.02835	0.2
134.03635	0.2
135.03401	0.2
135.04391	3.8
137.02328	7.7
137.03381	0.5
138.02640	0.2
141.01802	2.5
145.02776	0.6
147.04416	0.9
149.02257	0.5
149.05907	0.2
153.01765	0.6
155.03333	0.2
159.04355	0.5
161.01082	0.2
161.02321	3.1
163.00249	0.3
163.03889	4.9
165.01813	14.7
166.02144	0.3
167.03387	1.1
169.02768	0.2
171.04327	0.3
173.02318	0.3
175.03821	0.6
177.01811	0.8
177.05417	0.6
179.03378	1.6
181.04941	1.9
183.02863	10.1
185.02048	0.2
187.03864	1.7
189.01770	1.0
190.02425	0.2
191.03366	2.6
193.04951	0.3
193.51115	0.1
195.02876	0.4
197.00681	0.3
199.03789	0.2
203.03386	1.1
205.04944	1.5
207.02847	0.7
209.00771	0.4
209.04448	0.6
215.03363	0.9
217.01300	0.2
217.04788	0.3
219.02853	0.2
221.04333	0.6
229.04874	0.3
231.02837	0.3
233.04424	1.0
243.02913	1.0
245.04445	0.5
247.02315	0.2
249.03743	0.2
251.06973	0.2
254.05733	0.3
258.05276	0.3
261.03848	1.1
269.07983	0.4
271.05902	0.6
279.06439	0.5
283.05957	2.6
284.06708	0.2
286.04688	1.3
287.05457	7.3
288.05930	0.2
289.03430	0.2
293.07990	0.3
295.06012	2.5
296.06628	0.4
297.04123	0.4
297.07532	11.9
298.07935	0.5
299.05463	100.0
300.05911	4.1
305.08054	0.3
307.06058	0.6
309.07571	1.0
310.04736	0.9
311.05438	8.3
311.09113	2.5
312.05823	0.4
313.03323	0.7
313.06931	3.4
321.07541	3.3
322.07681	0.2
323.05466	3.3
324.06213	2.6
325.03552	2.0
325.07010	33.0
326.07288	1.2
327.05014	1.0
329.06506	3.1
335.05499	0.3
336.06360	0.4
337.07031	3.6
338.07602	0.2
339.05118	0.7
339.08585	15.4
340.08942	0.6
341.06586	0.7
349.06973	4.1
351.05014	0.8
351.08691	0.2
353.06522	45.8
354.06897	1.8
365.06522	11.9
366.06888	0.6
367.08044	3.1
371.07532	0.3
377.06522	10.6
378.06854	0.5
383.07562	18.1
384.07956	0.7
395.07578	19.6
396.07843	0.9
413.08621	17.4
414.08786	0.9
431.09717	13.2
432.09882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78966	0.1
53.03920	0.2
55.01873	1.1
57.03385	0.5
59.04980	0.1
61.02891	0.3
62.45097	0.1
65.03885	0.3
67.01842	0.1
67.05452	0.4
68.99779	1.1
69.03376	0.5
69.03703	0.1
69.07021	0.2
70.06541	0.5
71.16026	0.1
71.16353	0.2
72.08093	0.2
73.02872	0.3
79.05437	0.4
81.03419	1.0
84.08116	0.1
85.02885	1.3
86.09713	0.8
88.85583	0.2
89.03872	0.4
91.05459	1.0
92.99733	0.2
95.04945	0.7
95.08550	0.4
96.08903	0.2
97.02875	0.8
99.00816	0.2
103.03891	0.2
103.05420	0.2
105.03339	0.2
107.04879	0.6
107.05531	0.1
108.08122	0.9
108.08716	0.2
109.02859	1.2
109.08396	0.4
111.04368	0.2
117.03332	0.2
119.04891	0.5
121.02834	1.2
121.06490	0.1
123.00781	0.3
123.04350	0.3
123.08016	0.2
127.03831	0.3
131.04886	0.6
135.03380	0.2
135.04399	3.6
135.11670	0.1
137.02322	7.0
137.03360	0.3
141.00723	0.2
141.01810	3.1
145.02783	0.4
147.04376	0.8
149.02345	0.7
149.05989	0.2
151.03889	0.2
153.01772	0.5
159.04358	0.3
161.02325	2.6
161.05925	0.2
163.00272	0.3
163.03891	4.2
164.04195	0.2
165.01810	13.6
166.02173	0.2
166.68390	0.1
167.03351	1.2
171.04347	0.3
173.02319	0.3
175.03828	0.5
176.10619	0.4
177.01782	0.5
177.05450	0.8
177.10982	0.4
179.03346	1.6
181.04947	2.1
183.02867	11.3
184.03226	0.2
187.03864	1.4
189.01749	0.6
190.02472	0.2
190.99670	0.3
191.03374	2.6
195.02858	0.3
195.06543	0.2
197.00746	0.3
198.75957	0.1
199.03751	0.2
203.03375	0.9
205.04933	1.1
207.02852	0.9
207.13737	0.3
208.14076	0.5
209.00754	0.5
209.04401	1.0
213.05444	0.2
215.03360	0.9
219.02843	0.3
221.04417	0.4
229.04817	0.2
231.02797	0.2
233.04413	1.0
243.02782	0.6
245.04329	0.7
247.07368	0.2
251.07082	0.2
251.18346	0.3
255.06468	0.6
258.05121	0.3
261.03873	1.5
265.08609	0.1
269.07993	0.5
270.05252	0.2
271.05911	0.8
279.06445	0.4
282.05359	0.2
283.05975	2.5
285.03638	0.2
286.04645	1.5
287.05457	7.0
288.05688	0.3
289.03351	0.4
293.07919	0.3
295.05972	2.4
295.09198	0.1
296.06458	0.4
297.04251	0.5
297.07523	11.6
298.07983	0.3
299.05447	100.0
300.05872	4.6
305.08133	0.3
307.06064	0.6
309.07581	0.9
310.04584	0.9
311.05426	9.5
311.09085	2.7
312.05875	0.5
313.03433	0.6
313.07001	3.4
317.08313	0.2
321.03830	0.2
321.07547	3.0
323.05432	2.9
324.06207	2.6
325.03531	2.0
325.06992	32.1
326.07312	1.3
327.04895	0.9
329.06519	3.9
331.04904	0.1
335.05261	0.2
336.06238	0.5
337.07004	3.6
338.07541	0.2
339.05222	0.6
339.08572	14.9
340.08942	0.5
341.06506	1.0
349.07007	4.4
351.04800	0.7
352.05652	0.3
353.06500	44.9
354.06827	1.8
365.06500	12.5
366.06888	0.5
367.08096	3.5
368.08664	0.2
371.07669	0.7
377.06516	11.0
378.06815	0.5
383.07547	16.2
384.07806	0.6
395.07559	19.9
396.07999	0.7
412.00616	0.1
413.08612	18.6
414.08661	0.6
431.09686	17.6
432.09985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
54.27070	0.3
54.32120	0.2
55.01852	0.9
57.03396	0.7
65.03902	0.4
67.05476	0.7
68.99770	1.1
69.03381	1.1
69.24664	0.3
69.24982	3.3
69.54855	0.3
70.06556	0.8
73.02886	0.5
79.05442	0.4
81.03384	1.1
85.02895	2.1
85.06480	0.6
86.09666	0.8
91.05434	1.2
93.07005	0.5
95.04922	1.0
95.08604	2.3
97.02847	0.9
98.09642	0.4
98.20749	0.4
103.03922	0.4
103.05356	0.3
105.03353	0.5
105.07001	0.5
107.04898	1.0
107.08526	0.5
108.08102	8.1
109.02876	1.3
109.06474	0.3
111.04395	0.4
113.05955	0.4
117.03364	0.5
119.04873	0.8
119.08549	0.9
119.10659	0.6
121.02834	1.2
121.10073	0.5
122.19672	0.3
123.00788	0.4
123.08023	1.3
126.09127	0.4
127.03810	0.3
131.04900	0.6
131.08508	0.4
133.10109	0.3
135.04402	3.5
135.11667	0.5
137.02316	7.4
137.03366	0.5
137.09691	0.3
141.01788	2.8
145.02840	0.5
145.10117	0.5
147.04355	1.0
147.11647	0.4
149.02267	0.6
149.09624	1.3
150.12729	0.5
153.01845	0.4
159.04399	0.4
161.02328	2.8
161.05902	0.3
161.08337	0.6
161.09555	0.3
161.13200	0.7
162.12743	0.5
163.03860	3.9
163.11142	0.6
165.01813	13.1
165.05452	0.3
167.03346	1.0
173.02274	0.4
175.03886	0.5
176.10686	4.3
177.01842	0.5
177.05389	1.1
179.03378	1.4
181.04968	1.3
183.02875	10.0
187.03874	1.4
189.01764	0.5
189.12697	1.1
191.03354	2.2
191.14191	0.5
197.00691	0.3
203.03366	1.2
205.04913	1.5
206.10225	0.5
207.02829	0.4
207.06448	0.4
207.13780	4.3
209.04424	0.6
213.05470	0.4
215.03369	0.8
217.49226	0.3
221.04362	0.6
228.38477	0.3
231.02771	0.3
232.16919	1.3
233.04419	0.9
233.15402	0.4
243.02863	0.8
245.04445	0.5
250.18033	2.6
255.03964	0.3
255.06400	0.5
258.05051	0.3
261.03879	1.1
269.08234	0.5
271.06070	0.4
283.06046	2.5
286.04669	1.4
287.05429	6.7
289.03430	0.4
295.05927	2.6
296.06656	0.5
297.03912	0.7
297.07495	11.1
297.10843	0.7
299.05460	100.0
300.06158	1.1
307.05988	0.9
309.07654	0.7
310.04779	0.7
311.05450	9.8
311.09091	2.6
313.03296	1.0
313.07016	3.2
321.07535	3.5
323.05560	2.8
324.06253	2.8
325.03589	1.7
325.07001	32.0
327.05023	0.9
329.06519	4.3
337.06992	3.4
339.05096	0.6
339.08582	14.1
341.06531	0.6
349.07040	4.2
351.04849	0.6
353.06512	45.6
356.16888	0.6
365.06491	11.6
367.08063	2.9
371.07651	0.5
377.02420	0.2
377.06512	11.1
383.07556	18.6
395.07578	18.8
412.23273	0.6
413.08606	19.1
430.24188	0.4
431.09695	18.3
443.66827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.9
69.03419	13.7
70.06590	42.0
70.79179	12.9
81.03416	12.3
84.04463	13.3
84.08147	7.7
84.23322	5.1
85.02892	17.1
86.09715	40.9
91.05460	11.6
97.02879	7.4
98.78049	5.5
106.80885	4.7
109.02869	17.4
112.11175	10.1
115.05486	5.1
117.07014	8.0
119.04947	7.7
119.08522	7.2
120.08134	7.2
123.04413	7.2
124.05170	8.4
139.07521	14.4
145.06490	8.7
147.04381	10.7
147.07690	11.5
155.07039	8.8
159.09145	8.8
167.06992	61.2
170.05965	15.1
175.03926	28.4
175.07474	12.8
177.05461	13.1
183.06540	15.2
185.78314	5.4
194.05792	11.5
196.08299	6.1
204.08736	5.7
205.08551	25.9
206.11792	41.4
207.06476	62.3
208.09689	23.6
209.08049	26.6
222.11299	11.8
225.07524	54.4
244.12888	11.8
250.10738	52.8
251.09180	31.3
268.08731	8.4
268.11813	100.0
299.05411	7.8
303.01511	9.6
304.01645	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	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01878	7.7
56.48632	0.9
57.03433	13.5
57.07071	10.3
61.02931	9.1
63.04484	15.0
68.99787	1.5
69.03069	1.7
69.03426	25.7
71.01344	3.6
71.04973	0.9
72.34215	1.0
73.02914	64.8
74.98739	1.1
81.03409	5.0
83.04981	1.3
85.02899	55.0
86.09715	1.5
87.04455	4.0
91.03965	2.8
91.05470	1.7
93.07042	1.2
95.08601	2.8
97.02889	45.0
99.04449	2.8
101.09655	1.1
103.03944	3.0
103.80960	0.9
107.04937	1.2
108.08096	4.7
109.02856	6.6
115.03923	22.7
117.03322	1.0
119.10689	70.3
121.02837	1.6
123.08121	1.1
127.03915	18.2
133.04958	27.3
135.04414	4.1
137.02344	6.7
137.03261	1.1
141.01872	1.4
145.02966	1.3
145.04948	26.9
146.51678	1.1
147.04385	1.2
150.07639	2.0
160.30769	0.9
161.02283	3.3
163.03894	4.3
163.06020	9.6
165.01830	12.9
172.23903	0.9
176.10693	2.1
181.04985	2.6
183.02853	8.5
187.03789	1.2
189.01741	1.2
191.03369	2.2
193.04950	1.6
203.03462	1.7
205.04890	2.3
207.13835	3.6
215.03371	1.4
215.12770	2.3
217.07065	1.5
223.05945	5.0
233.04378	1.0
241.07191	5.2
246.89584	1.2
251.14932	3.6
259.08160	5.7
260.35843	1.0
281.15939	1.7
283.06073	2.4
287.05475	4.7
295.06146	2.4
295.10272	1.8
297.07504	11.7
299.05478	100.0
311.05499	8.4
311.08926	2.0
313.03714	1.6
313.07010	4.6
321.07593	2.9
323.05643	2.4
324.06308	2.0
325.03677	1.6
325.07016	33.1
329.06635	1.6
337.07065	3.6
339.04883	1.4
339.08612	15.5
349.07074	4.7
353.06537	43.5
365.06430	10.4
367.08060	2.6
377.06543	9.2
383.07550	16.3
395.07635	19.2
413.08646	18.3
431.09799	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	429.3723
Annotation	Varninasterol
Peak:m/z	Relative Intensity
53.03927	1.4
55.05506	32.2
57.07072	18.1
65.05520	1.2
66.03496	1.1
67.05498	3.4
69.07060	34.4
69.70347	2.6
69.70770	7.3
71.08626	7.4
79.05481	3.8
81.07044	14.1
83.08611	100.0
84.08942	1.4
85.10155	1.3
91.05466	3.1
93.07026	4.6
95.08576	8.3
97.10166	10.0
105.07036	5.9
105.91813	1.2
107.08582	4.6
109.10139	5.2
119.08572	3.1
121.10175	3.2
123.11684	1.6
131.08560	2.3
131.91628	1.2
132.90315	1.2
133.10120	5.6
135.11682	2.3
139.14825	3.8
143.08620	1.8
145.10126	3.8
147.11649	2.7
149.13260	1.4
157.10112	2.9
159.11694	7.2
161.13232	2.6
171.11649	1.6
173.13228	2.8
175.14801	1.7
176.39838	1.2
185.13190	2.3
187.14845	1.8
199.14732	2.2
201.16379	4.2
213.16553	1.5
215.17964	1.6
217.16092	1.4
227.17924	1.6
239.18066	1.2
251.21281	1.2
253.19452	2.1
255.21097	5.9
271.20743	1.7
273.22113	2.7
275.81195	1.4
309.25720	2.3
313.25143	1.5
327.26578	2.5
351.84515	1.4
393.35175	4.7
411.36212	40.9
412.36502	3.2
429.16599	1.7
429.31442	6.9
429.37167	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	429.3721
Annotation	(24R)-24-Hydroxy-24-vinyllathosterol
Peak:m/z	Relative Intensity
55.05510	11.0
56.96555	4.0
57.03425	10.9
57.07072	4.1
58.70633	1.7
61.02909	2.4
67.05498	13.8
69.03423	3.7
69.07062	16.4
71.04983	4.8
71.08632	3.6
71.59391	2.7
79.05481	12.9
81.03410	5.4
81.07048	38.5
83.04980	3.0
83.08605	9.5
85.02883	3.4
85.10173	3.8
91.05470	14.5
92.94345	2.1
93.07039	19.9
95.04968	5.4
95.08591	32.3
97.02880	3.0
97.10155	8.9
105.07013	21.7
107.08583	31.7
109.10144	22.5
117.07004	2.7
119.08589	15.3
121.10139	19.7
123.08077	5.4
123.11711	8.3
131.08546	9.0
133.10109	18.8
134.77167	2.0
135.11673	23.1
137.13246	7.9
143.08598	3.9
145.10110	13.0
147.11687	22.4
149.13235	12.5
155.14281	26.5
157.10132	4.5
159.11684	13.4
161.13239	25.2
163.14799	10.0
163.21234	2.1
165.16388	4.0
171.11699	3.3
173.13223	11.6
175.11075	2.2
175.14828	9.0
177.16428	4.6
185.13170	5.3
187.14824	4.5
189.16402	8.6
199.14815	7.6
201.16405	8.8
203.17899	9.3
205.19600	3.9
211.13139	2.8
213.16353	2.0
215.17946	8.7
217.19519	2.2
223.20706	2.7
227.17867	2.4
229.19467	5.5
231.21037	3.6
241.19536	2.6
243.20995	2.3
253.19556	6.6
255.21083	3.8
271.20554	7.1
275.23840	2.9
281.22665	3.8
283.24075	2.3
285.25882	3.1
285.39401	2.1
287.27228	3.6
289.21606	4.8
295.24002	2.2
297.25729	19.6
347.14932	2.4
365.16406	2.3
393.35196	23.0
411.36188	100.0
412.36578	4.7
429.31766	18.3
429.37308	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	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.9
69.03419	13.7
70.06590	42.0
70.79179	12.9
81.03416	12.3
84.04463	13.3
84.08147	7.7
84.23322	5.1
85.02892	17.1
86.09715	40.9
91.05460	11.6
97.02879	7.4
98.78049	5.5
106.80885	4.7
109.02869	17.4
112.11175	10.1
115.05486	5.1
117.07014	8.0
119.04947	7.7
119.08522	7.2
120.08134	7.2
123.04413	7.2
124.05170	8.4
139.07521	14.4
145.06490	8.7
147.04381	10.7
147.07690	11.5
155.07039	8.8
159.09145	8.8
167.06992	61.2
170.05965	15.1
175.03926	28.4
175.07474	12.8
177.05461	13.1
183.06540	15.2
185.78314	5.4
194.05792	11.5
196.08299	6.1
204.08736	5.7
205.08551	25.9
206.11792	41.4
207.06476	62.3
208.09689	23.6
209.08049	26.6
222.11299	11.8
225.07524	54.4
244.12888	11.8
250.10738	52.8
251.09180	31.3
268.08731	8.4
268.11813	100.0
299.05411	7.8
303.01511	9.6
304.01645	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	429.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40987	0.7
69.03397	0.8
69.72682	4.3
70.06553	1.0
70.40036	0.7
71.04990	0.8
81.03394	1.6
91.05455	1.0
97.02843	1.0
107.08557	1.0
109.02853	0.9
113.07512	0.6
153.01799	0.9
265.03268	0.7
267.11942	7.8
280.15900	0.8
331.04318	0.9
334.42578	0.8
349.16354	0.8
367.17090	2.8
369.14941	1.0
393.14841	1.0
411.11621	1.0
411.16223	13.0
429.16971	100.0
430.17435	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	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55893	2.0
53.03928	5.4
55.01864	6.1
55.05502	13.7
57.03431	18.1
58.64027	2.1
58.94532	2.6
59.85273	2.2
61.02913	19.3
67.05499	28.9
69.03416	25.1
69.07046	5.9
69.77020	5.3
69.77423	7.9
70.06589	2.7
71.01357	5.0
71.04981	15.9
72.08144	3.2
72.93778	3.1
73.02930	11.9
79.05480	25.9
81.03407	68.7
81.07041	22.8
83.04968	9.1
83.08619	13.1
84.08162	2.6
85.02892	36.0
91.03963	12.2
91.05449	26.7
93.07028	23.9
95.04955	68.8
95.08598	12.1
97.02877	30.2
97.06525	4.2
97.10149	4.7
99.04421	4.9
101.02319	4.9
103.03924	8.2
105.03430	2.5
105.07025	21.6
107.04967	17.6
107.08561	12.8
109.02874	18.4
109.06485	7.5
109.10097	4.7
111.04416	7.8
111.08048	5.5
112.11253	2.7
115.05419	4.0
117.03320	2.3
117.06983	8.8
119.04915	4.6
119.08572	11.6
121.02818	11.8
121.06474	7.4
121.10135	10.4
123.04417	35.4
123.08052	6.8
125.09613	4.7
127.03909	8.7
129.06982	13.0
131.04913	5.1
131.08582	11.2
133.06483	4.6
133.10095	10.7
135.04460	3.4
135.07990	5.3
135.11662	8.5
137.06020	4.6
141.07002	3.9
143.08548	5.2
145.04948	4.8
145.06454	3.5
145.10086	13.4
147.04376	11.2
147.07985	5.1
147.11642	12.9
149.06035	4.8
149.09587	8.0
149.56444	2.2
153.01752	5.0
153.09053	3.5
157.06436	2.9
157.10104	7.3
161.06009	3.7
161.13185	2.8
163.11197	18.3
165.12753	8.9
171.11624	6.4
173.09583	5.0
175.11148	6.2
183.06546	2.9
187.07491	2.9
189.05498	4.5
189.12706	8.3
191.10635	4.6
193.12259	20.7
199.11157	3.7
203.05154	2.8
203.10736	2.9
205.12155	4.5
207.13757	8.5
211.13252	10.8
217.12177	6.9
223.13193	3.4
235.13260	52.7
243.10539	4.9
247.23982	2.3
249.14722	8.2
253.14294	4.0
255.13666	2.4
259.13202	13.8
267.07034	11.4
267.12003	92.0
267.15756	18.5
269.69724	2.4
273.14801	20.7
277.14270	5.2
283.13092	3.6
285.07788	2.9
285.16989	3.0
289.14081	3.0
301.14334	19.4
303.15677	3.1
309.07813	4.7
309.16898	26.2
319.15329	6.9
327.08841	3.2
335.46420	2.4
337.16583	2.9
357.16858	2.7
363.17780	2.8
372.59137	2.3
375.17957	15.3
393.19073	7.3
411.15878	6.6
411.20285	6.6
428.73520	2.4
429.16315	100.0
429.21494	37.7
430.17328	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	2.7
56.96559	38.6
60.36809	2.0
60.39864	2.2
67.05483	3.1
69.07052	4.7
71.95264	3.7
81.03432	2.4
81.07046	6.4
84.69795	2.1
84.95997	2.3
91.05432	2.5
95.08566	3.0
98.20764	5.0
98.75089	2.1
98.97568	9.2
105.07034	3.0
116.98608	11.4
119.08568	3.2
121.06509	2.7
121.10101	3.0
125.03338	2.5
134.99657	9.1
149.02347	8.7
153.00717	3.7
157.01718	4.2
168.47156	2.2
169.72427	2.3
181.01718	2.5
191.03848	3.1
193.05040	4.9
197.04785	3.7
199.02777	12.4
201.04279	2.7
207.03380	3.4
209.04903	4.9
213.04362	2.8
218.71515	2.4
219.03371	4.0
221.04910	12.1
227.05968	6.1
233.04817	2.6
237.04391	16.2
237.07780	4.8
239.05913	24.8
241.07283	10.8
243.08934	2.8
249.08055	2.8
251.05888	4.5
255.05356	6.3
258.23157	2.2
259.08539	7.8
263.05847	3.5
263.09537	4.6
267.08966	3.6
277.10986	2.5
281.10516	4.4
284.09277	3.3
291.08969	2.6
305.10629	4.1
339.08844	2.2
351.12592	15.1
365.16406	6.8
367.18002	4.3
369.13708	100.0
383.75656	2.5
387.14764	93.0
392.15338	5.6
405.15964	9.9
410.16370	11.3
428.33307	3.5
429.15848	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34196	0.3
68.76389	0.3
71.23361	0.6
81.07088	0.3
85.02859	0.4
146.35068	0.3
167.37851	0.4
185.04166	0.8
204.66682	0.3
205.12006	0.4
207.09923	0.5
225.09685	1.5
243.10745	3.8
267.12009	100.0
268.12305	2.9
273.74890	0.3
285.11850	2.3
292.00458	0.4
293.79214	0.3
411.16238	1.1
429.17282	44.5
430.17618	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
56.96553	6.6
57.03428	28.7
61.02911	8.4
61.27108	3.3
67.05502	5.7
69.03416	29.9
69.93583	20.2
71.04974	8.6
73.02911	52.4
73.35486	3.4
79.05508	4.8
81.03431	7.9
81.07057	5.2
84.08136	3.7
84.47507	3.5
85.02898	100.0
86.09703	5.1
87.04458	8.3
91.03955	4.4
91.05454	6.3
97.02884	55.1
99.04445	7.0
107.08578	3.9
109.02885	9.5
109.10137	4.2
115.03909	37.2
127.03924	28.5
133.04953	20.6
145.04922	57.7
150.07603	4.0
163.06015	26.3
177.05554	4.0
206.24190	3.6
211.73067	3.5
241.07114	6.6
275.02032	4.0
287.05469	4.9
357.23947	3.9
361.02164	4.4
397.01962	5.8
404.99930	4.1
428.01550	6.9
429.21066	7.7
433.31836	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	428.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21673	1.2
53.03932	2.0
55.01864	7.8
56.96558	2.7
57.03431	14.7
61.02918	13.3
61.62141	1.0
67.05489	1.8
69.03419	32.0
69.07047	1.9
70.06567	2.4
71.01337	3.5
71.04975	3.3
71.30266	1.1
73.02905	74.4
79.05447	1.5
81.03414	5.4
81.07058	1.3
85.02889	100.0
86.03231	1.1
87.04459	5.5
91.03950	6.6
91.05457	5.3
93.07059	1.3
95.08582	1.8
97.02877	49.3
97.06532	1.1
98.97553	1.4
99.04436	4.8
102.68545	1.1
103.03922	3.4
107.04920	1.8
108.71070	1.1
109.02828	8.5
111.04535	1.3
115.03155	2.1
115.03905	21.7
127.03901	31.8
133.04944	31.1
137.05931	1.6
145.04933	48.9
150.07562	2.2
163.05972	18.4
177.05457	3.2
181.04930	1.8
189.05367	1.1
223.05965	4.5
224.03632	1.4
234.08617	3.3
241.06956	5.9
257.10620	1.8
258.10956	1.3
259.08066	5.8
267.06573	2.8
279.17978	1.9
284.08698	1.5
369.29941	1.3
404.99515	1.6
429.10535	1.7
429.15125	3.6
429.20709	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	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01137	2.1
55.01867	5.9
55.57757	2.3
56.04993	3.1
57.03429	15.6
57.07067	2.1
61.02917	15.1
68.64321	2.4
69.03425	30.4
70.06588	2.5
70.75781	4.8
70.76168	4.0
71.01331	2.4
73.02496	3.0
73.02910	67.7
81.03416	6.3
85.02895	100.0
87.04447	3.2
87.36664	2.1
91.03929	3.9
97.02873	49.5
99.04461	3.6
103.03943	2.3
109.02857	9.5
115.03923	26.5
123.79953	2.2
127.03909	32.6
133.04967	28.2
133.10106	2.5
145.04948	48.3
163.05998	19.7
175.11108	2.1
177.05528	2.1
196.01381	2.1
202.27261	1.8
223.05998	5.7
241.07089	7.5
258.10175	2.5
259.08136	5.9
275.07385	2.9
276.07791	3.0
277.09488	2.0
279.18173	2.7
303.10074	2.2
404.98877	5.0
410.13242	3.7
423.00012	5.5
428.00671	4.4
428.14230	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	427.357
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05499	15.4
57.03419	9.1
57.07058	9.6
67.05492	18.9
69.07059	27.1
69.65899	15.1
71.04976	6.4
71.08615	8.1
73.63051	2.3
79.05487	12.8
81.03423	2.7
81.07040	42.3
83.04940	3.2
83.08598	13.6
85.10168	3.3
86.09696	2.7
91.05473	18.8
93.07028	22.0
95.04971	3.5
95.08595	41.2
97.06522	3.2
97.10162	11.4
98.20713	2.1
105.07012	32.0
107.08588	27.3
109.06551	4.5
109.10137	25.2
111.11708	2.6
117.07001	8.6
119.08592	27.8
120.81014	2.1
121.06507	2.5
121.10108	22.0
123.08037	4.7
123.11697	8.9
123.96827	2.2
127.11176	4.3
129.06958	7.0
131.08556	16.2
133.10107	28.4
135.11697	17.2
137.09669	2.1
137.13229	9.1
139.11188	2.4
141.07004	2.8
142.07768	7.2
143.08549	8.1
144.09334	2.6
145.10100	22.3
147.11693	25.3
149.13248	8.7
151.14832	3.5
153.12724	2.9
155.08534	5.6
155.14268	18.5
157.10098	29.2
159.11670	34.5
161.13261	19.2
163.14778	7.6
165.16324	2.4
169.10101	7.4
170.10953	2.6
171.11693	9.1
173.13231	15.6
175.11179	5.4
175.14810	5.7
177.12726	3.4
181.10060	4.1
183.11679	6.6
185.13237	14.2
187.14754	10.0
189.12729	2.5
189.16472	4.6
191.14301	2.3
191.18008	2.5
195.11732	4.2
197.13263	10.7
199.14755	12.7
201.16377	6.1
203.12785	4.9
209.13290	5.6
209.57040	2.0
211.14796	10.1
213.16330	11.7
215.18132	2.5
217.19688	3.3
223.14796	5.3
225.16406	5.3
227.17845	5.5
229.15891	3.7
229.19456	3.4
237.16483	4.5
239.17935	2.7
241.19414	4.3
243.21165	2.5
251.17998	7.6
253.19258	4.4
255.21002	2.7
265.19427	4.1
267.21140	3.2
269.19046	3.6
271.20694	3.8
279.21225	3.2
283.20764	2.9
283.24051	3.6
293.22546	5.7
295.24222	10.5
307.24127	13.4
311.23627	2.9
313.25034	5.0
325.25018	11.5
343.26288	4.3
365.31757	3.1
378.64737	2.1
391.28784	2.5
391.33566	34.7
398.68213	2.2
409.34607	100.0
410.34738	3.8
427.29959	4.7
427.35672	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
50.50105	2.5
55.05492	11.8
57.07061	9.9
67.05501	16.7
69.07063	24.6
70.72834	6.3
70.73238	4.5
71.08624	17.5
71.11156	2.5
79.05480	13.1
81.06579	3.0
81.07056	42.7
83.08618	15.1
84.33989	2.3
85.10159	6.4
91.05486	12.4
93.07040	23.0
95.08591	47.3
95.13718	2.7
97.06557	4.1
97.10155	6.2
105.07030	22.1
107.08575	21.5
109.10168	25.7
111.11748	3.3
113.78931	2.6
117.06979	6.6
119.08586	17.4
121.06529	3.8
121.10137	21.8
123.08037	6.3
123.11684	12.3
128.06238	3.1
129.07019	3.4
131.08591	12.9
133.10117	21.0
135.11688	12.7
137.09596	3.0
137.13261	7.0
142.07762	5.1
143.08522	9.2
145.10106	22.6
147.11649	16.2
149.13257	9.7
155.08531	9.3
157.10126	33.7
159.11690	21.9
161.13252	11.2
163.14822	6.6
169.10127	9.4
171.11664	8.6
172.70279	2.4
173.13255	7.5
175.11194	8.4
175.14824	5.3
177.16380	3.3
179.17958	2.9
179.50883	2.8
183.11690	10.7
185.13315	14.6
187.14738	6.3
191.18111	3.1
197.13240	15.7
199.14833	11.6
201.16417	5.7
203.12772	6.5
205.19556	2.7
209.13222	3.0
211.14821	15.2
213.16414	5.0
215.14301	6.1
215.17995	3.3
217.16017	3.7
223.14873	4.2
225.16408	7.0
227.17856	6.4
229.15900	14.7
229.19336	3.6
231.17509	4.7
231.21349	3.4
233.15092	2.8
247.17027	4.5
251.17920	7.7
253.19476	3.0
269.18994	4.7
271.20538	7.4
283.20575	3.3
305.47391	2.8
307.24118	9.7
311.23679	4.4
325.25348	7.6
339.26971	4.8
391.33578	41.8
409.34637	100.0
409.40100	4.9
410.34918	3.6
427.35794	46.9
443.78497	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	427.357
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05511	7.2
56.65303	1.1
57.03432	13.1
57.07061	2.7
58.00393	1.2
59.04969	1.4
67.05505	7.3
69.07069	11.0
69.41047	1.1
69.92968	5.6
71.04988	2.1
71.08626	71.4
72.51398	1.1
73.06543	6.4
74.23253	1.1
79.05478	9.3
81.07050	18.7
83.08608	4.9
85.06513	1.8
87.92210	1.1
91.05485	11.4
92.73640	1.2
93.07027	10.5
95.04966	1.6
95.08601	16.7
97.06532	2.0
97.10154	4.2
98.21400	1.6
99.08044	1.5
104.41602	1.1
105.07015	14.7
105.07684	1.7
107.08595	11.6
109.10162	10.9
110.08749	1.0
111.11654	1.6
117.06998	4.0
119.08558	8.7
121.10137	11.1
123.11672	4.5
125.09573	1.4
127.11177	9.2
129.06993	2.5
131.08568	9.7
133.10121	20.4
135.11678	9.1
137.09564	1.2
137.13257	11.0
141.12627	2.5
142.07816	1.8
143.08588	6.9
143.09494	1.4
143.10583	1.4
145.09200	1.4
145.10141	15.9
147.11644	10.2
149.13278	3.3
151.11125	3.5
151.14819	3.5
155.08549	2.2
155.14291	100.0
156.09258	1.5
156.14603	1.5
157.10130	10.3
159.11684	17.1
161.13216	7.8
163.11150	1.6
163.14746	1.2
169.10001	1.8
169.15886	5.3
171.11702	5.5
173.13251	5.3
175.14835	3.6
180.36546	1.2
181.39903	1.4
183.11569	1.9
185.13264	5.0
187.14771	5.2
189.16402	1.8
197.13278	2.8
199.14886	5.6
201.16382	3.9
203.12773	2.1
211.14793	3.0
213.16327	8.2
215.17888	2.8
216.56735	1.3
217.15956	1.6
225.16371	1.9
227.17874	2.5
229.19597	1.2
239.17870	1.8
241.19307	2.9
253.19473	3.7
255.21098	8.9
269.18835	1.5
271.20508	1.8
273.22128	4.1
275.23639	1.4
283.24347	1.6
295.24115	5.9
307.24329	1.3
309.25690	5.2
311.27231	1.6
313.25211	4.7
327.26514	2.1
391.33432	1.7
409.34677	30.4
410.34915	2.2
427.29968	1.7
427.35754	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	426.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61353	1.6
57.07072	20.5
57.53624	1.7
65.80062	1.4
67.05526	1.9
69.07048	4.7
69.74628	11.5
70.59081	1.4
71.08228	2.2
71.08623	41.0
72.70036	1.7
73.06544	5.1
79.05488	2.0
79.54242	1.8
81.07029	2.4
83.08614	1.9
83.55207	1.6
85.10168	25.2
89.06020	100.0
91.05447	1.7
93.07009	1.8
95.08575	2.6
107.07024	5.4
107.08556	1.9
107.75166	1.7
109.10120	2.3
116.57113	1.6
117.09141	2.7
127.14815	3.6
130.08600	2.8
133.08592	44.4
135.02757	1.7
151.09648	2.5
170.45213	1.7
171.17374	5.0
177.11165	15.1
195.12296	2.0
196.70242	1.6
212.08096	2.1
215.19974	8.6
239.14885	1.9
248.31488	1.8
259.22592	1.8
283.17462	10.0
300.39539	2.0
372.26541	1.7
409.31528	17.9
426.26071	1.9
446.64093	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	427.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.07069	1.2
57.37003	0.5
67.05495	1.3
69.03438	0.5
69.07067	9.7
71.08631	0.7
71.48549	0.7
73.06560	1.8
79.05479	0.7
81.07054	3.3
83.04981	0.6
83.08580	0.6
86.09700	100.0
87.10021	1.0
89.06024	1.2
91.05455	0.7
93.07045	1.3
95.04971	0.7
95.08603	1.8
105.07034	1.4
107.08617	1.2
109.10130	1.7
112.07614	0.9
113.09668	0.6
119.08548	0.9
121.10114	1.1
123.11720	0.6
131.08545	0.9
132.35651	0.5
133.08603	0.8
133.10124	1.5
135.11674	1.0
145.10103	0.8
147.11609	1.1
149.13257	0.7
150.67184	0.4
159.11639	0.8
161.13235	1.3
163.14775	0.5
168.13809	1.1
171.11658	0.7
177.16270	0.7
186.14880	73.6
187.15167	1.3
197.13263	0.5
201.16396	0.7
203.12717	0.7
214.14365	29.7
234.80846	0.5
242.06651	0.5
257.22525	0.8
299.23230	0.9
306.74484	0.5
314.16196	0.9
314.19580	10.0
391.33282	0.8
399.28458	6.4
409.34726	0.9
427.28003	1.4
427.35568	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	426.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32677	3.8
55.01838	4.2
55.05505	5.2
56.32255	3.7
57.22617	4.2
69.03399	7.5
69.82218	8.3
69.82629	16.1
70.06586	6.7
73.02901	14.8
75.96243	3.9
76.22395	3.5
81.03414	8.6
83.06096	8.2
84.08134	5.3
85.02899	9.0
86.09672	4.0
91.05436	4.9
93.04523	5.0
93.07021	5.6
97.02888	6.9
105.03397	8.2
109.02899	4.6
110.07159	100.0
111.05567	4.1
112.11205	5.4
115.03944	4.9
117.03374	4.5
121.06479	3.9
122.07982	3.8
133.04977	3.7
145.02815	7.3
147.04353	8.1
153.01822	31.0
156.06769	3.7
156.07713	42.7
156.83719	3.7
177.05429	7.8
186.92258	4.3
193.33836	4.0
198.08614	4.2
208.67026	4.1
225.85928	3.8
283.84631	4.8
305.12024	7.4
380.21497	5.0
408.20953	6.8
409.09052	4.3
426.22641	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82140	4.8
53.03939	5.0
54.54618	4.9
55.01857	9.2
55.05509	26.0
57.03422	43.3
57.22126	4.2
61.02903	14.1
67.05486	9.2
69.03423	46.1
69.07056	15.3
71.01309	5.7
71.04969	5.4
71.59634	6.9
73.02907	100.0
74.06072	5.2
75.88921	4.3
78.73428	4.9
81.03392	8.2
81.07047	5.7
83.04978	5.7
85.02422	6.8
85.02893	89.0
87.04460	14.3
91.05392	4.8
93.13398	4.9
95.08591	9.4
97.02877	78.4
97.10156	88.8
99.04452	5.1
102.71609	4.4
107.08565	4.6
109.02885	7.9
109.10072	5.6
109.40725	4.4
111.07996	4.3
115.03916	60.1
115.11194	76.1
119.08582	5.7
127.03950	32.4
133.04961	37.7
133.10153	6.2
137.09612	7.4
145.04958	40.3
150.07587	11.8
153.01868	6.9
163.05954	12.9
165.12720	5.4
176.20154	5.1
211.13348	5.8
223.05943	6.1
229.14357	8.0
295.10468	8.6
334.05875	5.6
361.04089	24.5
377.01474	6.9
379.05243	9.8
403.05032	10.0
426.21335	6.4
427.19073	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01858	8.2
55.05254	2.0
55.05505	24.4
57.03429	19.7
59.04998	2.8
61.02922	19.1
67.05497	3.7
69.03423	32.7
69.07057	9.0
71.01334	6.0
71.04987	2.7
71.06206	2.9
73.02910	100.0
79.05490	1.9
81.03417	7.7
83.08570	2.0
85.02895	83.3
87.04453	4.5
91.03950	3.9
91.05455	2.2
93.07032	3.0
95.04970	2.9
95.08587	10.5
96.04501	2.0
97.02882	63.8
97.03511	3.3
97.10160	68.8
99.04447	2.6
103.03951	4.1
105.07052	2.1
107.08575	3.4
109.02859	8.1
109.10155	4.1
111.04423	1.5
111.08067	2.7
115.03911	39.7
115.11195	64.3
115.12000	3.5
119.08551	2.7
121.06454	1.6
121.10143	3.8
123.04491	2.0
125.09650	2.3
127.03899	29.7
127.11227	1.8
128.79741	1.3
129.05463	2.4
132.06561	2.0
133.04951	36.4
133.10091	2.2
139.11195	2.7
141.05463	2.6
145.04947	39.4
150.07553	3.8
151.11150	1.9
159.06534	2.2
163.05971	13.9
165.09059	2.6
169.12299	1.8
180.08751	1.7
183.10141	3.0
193.04913	1.9
193.12253	2.1
205.12187	2.2
211.13274	4.7
220.14642	1.8
223.06041	8.9
223.13199	7.7
229.14299	5.9
241.07201	9.9
241.14313	5.5
247.15504	2.4
259.08099	7.5
259.15198	1.8
275.43878	1.5
277.09064	2.7
277.16431	4.6
295.10098	2.8
306.02121	1.4
417.23633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1416
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
51.38521	0.3
71.59845	0.3
72.08147	0.4
83.04974	0.6
84.08131	0.6
90.82654	0.4
91.05467	0.4
97.02831	0.3
112.11166	0.6
121.06491	0.3
129.13838	0.7
136.89569	0.4
137.02269	0.4
147.04391	0.6
150.05467	0.7
153.01857	1.8
164.82845	0.4
196.41000	0.3
207.02969	0.4
293.10034	1.4
304.82883	0.4
310.04651	0.6
311.05453	0.5
323.05521	0.9
325.07153	0.4
337.06937	0.6
341.06628	2.2
351.08459	1.0
353.06299	0.5
379.07953	1.2
407.07700	2.4
408.07922	0.5
425.09827	4.3
425.14063	100.0
426.08582	1.1
426.14389	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1413
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
53.40506	0.3
55.29342	0.3
61.24435	0.3
62.76406	0.3
63.28776	0.3
70.85620	1.0
112.11235	0.4
147.04410	0.6
153.01834	0.5
178.54854	0.3
214.19977	0.3
223.32318	0.3
245.04169	0.4
269.08929	0.3
293.09866	2.0
425.14142	100.0
426.14426	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50359	8.1
55.01862	14.4
56.34448	7.1
68.05013	21.1
69.03412	9.4
70.06573	12.4
70.98434	18.1
76.07792	7.8
79.01824	10.0
84.04486	13.3
85.02879	9.0
91.05479	8.7
92.80534	7.0
96.04462	75.7
97.02875	13.1
97.05246	21.2
98.06039	12.2
100.03960	14.6
106.02905	11.1
107.01233	7.3
108.04449	23.2
109.02824	12.0
114.05510	50.4
120.08051	10.4
124.03934	62.1
125.02313	9.7
125.04707	51.9
126.05528	40.1
128.07047	24.3
133.02789	8.7
136.03993	9.1
139.03868	10.4
140.07042	27.5
142.04980	14.4
147.04375	15.7
152.03439	32.4
153.01794	29.3
156.06558	55.2
157.07388	14.9
158.08044	9.1
161.02359	11.2
163.03885	16.1
164.03316	11.5
164.07048	9.2
165.01797	19.0
165.04161	12.9
166.04973	91.9
167.03355	14.1
167.54160	7.6
168.06647	17.6
170.04460	49.2
177.01935	9.0
177.05449	9.5
179.03391	8.9
181.01265	8.1
183.02979	10.2
184.06029	93.1
186.05498	8.3
187.03914	9.6
189.01834	18.0
191.03323	41.1
193.01297	25.1
194.04462	24.3
196.06116	9.2
197.04482	10.8
199.03745	9.6
203.03304	9.8
207.03001	9.2
214.04887	10.3
217.01306	58.6
218.02055	9.5
219.02936	40.7
221.04430	18.7
223.02321	10.2
225.06270	8.2
231.02841	10.2
232.06108	10.0
233.00974	7.8
234.01556	12.0
235.02362	25.5
237.00237	11.0
242.04420	11.9
243.02820	14.3
244.06064	14.2
245.00755	25.8
247.02313	24.5
249.03920	100.0
253.03314	37.8
260.05429	32.2
261.03793	18.1
263.01889	21.3
270.03943	20.2
271.02304	12.5
272.05487	16.3
273.00269	19.9
273.03870	14.3
275.01843	19.7
276.02695	24.0
277.03433	28.7
285.03677	13.0
288.04950	51.3
298.03384	14.4
300.04800	11.9
300.99780	14.3
302.06424	20.3
303.01306	35.3
303.04654	9.7
305.02893	14.6
316.04501	32.6
317.02917	10.7
318.05908	10.3
319.01056	11.0
326.02872	15.7
330.06055	20.3
333.02261	48.9
334.05795	13.4
344.03860	24.7
348.07031	48.3
351.03430	29.4
358.05389	21.2
362.04333	10.9
376.06509	34.6
394.07504	11.9
408.08972	24.4
426.10278	38.2
450.80957	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	425.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69743	1.7
53.54484	1.6
56.75534	1.8
56.95628	1.8
56.96553	2.9
58.06594	2.5
69.38651	1.7
70.06585	4.6
71.59204	4.3
72.08142	3.1
83.04996	4.2
84.08132	7.7
85.02892	4.1
95.04945	1.8
97.02870	3.6
98.97575	2.7
111.04473	2.7
112.11230	15.5
119.04951	2.6
129.13866	6.8
134.99687	2.0
142.88120	1.9
145.02782	2.7
147.04317	2.6
153.01810	12.7
177.05528	2.3
269.03098	2.3
276.54056	1.9
281.03281	3.5
285.09915	2.1
299.04236	11.5
303.01569	2.2
330.31390	2.2
341.06433	3.4
351.19122	3.1
379.08014	2.8
407.07578	2.6
411.32620	2.0
425.08286	28.4
425.13263	100.0
425.18600	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69743	1.7
53.54484	1.6
56.75534	1.8
56.95628	1.8
56.96553	2.9
58.06594	2.5
69.38651	1.7
70.06585	4.6
71.59204	4.3
72.08142	3.1
83.04996	4.2
84.08132	7.7
85.02892	4.1
95.04945	1.8
97.02870	3.6
98.97575	2.7
111.04473	2.7
112.11230	15.5
119.04951	2.6
129.13866	6.8
134.99687	2.0
142.88120	1.9
145.02782	2.7
147.04317	2.6
153.01810	12.7
177.05528	2.3
269.03098	2.3
276.54056	1.9
281.03281	3.5
285.09915	2.1
299.04236	11.5
303.01569	2.2
330.31390	2.2
341.06433	3.4
351.19122	3.1
379.08014	2.8
407.07578	2.6
411.32620	2.0
425.08286	28.4
425.13263	100.0
425.18600	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.3
70.06586	1.1
70.33161	0.7
70.95693	2.0
82.99436	0.7
82.99866	1.9
85.87724	0.7
94.99895	0.8
97.02886	1.4
101.00864	7.4
106.69566	0.8
109.02821	0.8
113.00887	1.4
119.01919	32.6
127.02396	1.4
129.03899	0.9
131.01909	9.1
133.03473	1.7
136.74107	0.7
137.02950	5.1
143.01886	24.9
144.01961	1.2
145.03455	10.8
147.01328	1.2
149.02959	2.3
153.01848	1.8
155.01895	11.9
157.03502	5.9
161.02954	59.9
162.03172	1.4
163.04518	2.4
167.01878	5.9
169.03433	2.0
171.05067	3.2
173.02959	22.6
175.04497	2.1
177.02406	1.0
179.01910	2.9
179.03961	2.9
181.03479	1.0
184.04480	1.0
185.02928	39.7
187.04491	4.7
189.02463	2.9
191.04008	5.9
191.05460	1.1
197.02972	13.4
199.04410	1.4
203.03848	16.5
207.03499	1.4
209.03043	1.8
213.12242	1.1
215.04018	9.8
221.05060	2.0
226.08026	0.8
227.03973	6.6
233.05019	0.9
245.05063	100.0
246.05196	3.0
257.05051	5.3
263.03296	1.5
263.06137	25.8
275.06128	12.0
286.07538	1.0
293.07190	4.4
305.03833	1.1
305.07150	8.0
335.08139	2.9
365.10443	16.6
366.11188	1.3
367.10934	1.2
381.11722	1.0
407.08099	1.0
425.07257	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49894	0.7
55.01865	7.9
55.05509	1.8
55.63544	0.7
57.03435	0.9
60.30622	0.8
67.05490	4.1
69.03421	4.6
69.07056	7.4
69.39540	5.1
71.04993	2.6
79.05481	4.2
81.03405	2.0
81.07043	7.1
83.04961	2.6
85.02881	4.0
85.06519	6.1
91.05466	3.1
93.07028	11.2
93.28613	0.7
95.04969	2.6
95.08591	6.2
97.02885	3.6
97.06526	8.3
99.04440	5.1
105.03329	0.8
105.07014	10.8
107.04996	0.9
107.08583	28.5
107.09290	1.7
109.06534	5.3
111.08064	2.0
113.05967	4.5
117.07014	0.8
119.08546	2.7
121.06530	4.7
121.10127	8.2
123.08044	6.3
127.03916	1.4
127.07565	0.9
133.06467	1.0
135.08073	1.5
135.11652	6.2
139.11148	1.9
143.06966	0.8
145.04955	1.7
145.10114	7.9
147.11647	1.9
149.05984	1.0
149.09639	3.6
151.07507	6.6
153.01794	1.9
153.12747	1.7
163.11168	22.5
167.10643	12.3
169.08580	74.2
170.08969	1.6
173.09662	1.6
180.08620	1.2
181.12212	15.4
185.11652	4.7
191.10660	9.1
206.81880	0.7
209.11719	9.9
220.83923	0.8
227.12752	100.0
228.13120	3.0
240.15810	0.9
245.13849	3.6
250.06496	0.8
278.53574	0.8
330.90222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01885	1.2
53.62787	1.0
55.05502	4.8
57.07071	29.9
57.29109	1.1
58.87616	1.1
67.05502	6.0
67.95457	1.3
69.07061	2.2
69.52009	3.6
69.52430	6.0
71.08628	27.1
73.06551	5.9
78.95721	1.1
79.05491	2.2
81.07053	5.4
83.08612	4.9
85.10175	24.1
87.04465	2.2
87.43227	1.3
89.06024	100.0
91.05455	2.3
93.07050	3.8
95.08589	3.2
97.02881	2.2
97.10127	1.9
98.21464	2.5
99.11724	3.8
105.07030	2.4
107.07079	5.4
107.08591	3.8
109.10146	2.3
117.09109	1.8
119.08559	2.7
121.10137	2.2
123.08060	1.3
130.08623	4.1
131.08563	1.1
133.08582	40.5
133.10098	1.7
135.11661	1.6
141.16383	2.4
145.10153	1.1
147.11668	1.5
149.13326	1.5
156.09270	1.2
163.85107	1.1
173.11691	1.2
177.11194	8.3
185.18993	2.3
186.07991	1.2
229.21609	2.1
239.14853	1.3
283.17493	4.8
331.26086	1.3
423.32303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04504	6.5
68.05025	4.8
70.06585	11.5
71.31538	6.5
73.91449	2.8
83.06146	3.4
84.04502	31.5
84.08115	3.8
85.02888	5.4
86.09695	5.0
89.41574	3.4
97.02866	4.6
98.97615	3.1
108.04453	3.6
110.07167	4.0
112.11233	3.9
113.67311	3.2
118.06496	3.2
119.04964	5.9
124.03954	9.3
128.04959	3.8
130.06493	4.1
131.04913	7.2
133.02861	3.7
136.03960	5.1
139.03883	5.0
140.03392	4.7
140.06998	5.0
145.02827	4.7
146.05992	6.3
147.04384	16.6
153.01810	13.8
154.04988	4.1
156.04454	5.9
158.04665	3.5
158.06000	9.3
159.04413	3.7
160.03854	3.2
161.05952	4.7
163.03886	6.9
165.01836	4.8
168.06546	6.3
170.06027	5.0
170.32774	2.8
171.04399	14.0
172.03986	4.4
173.02330	3.9
174.05548	9.2
174.13438	2.7
175.03920	3.5
175.06180	3.5
176.07021	3.2
177.02026	2.9
177.05530	4.1
179.03380	5.4
181.01343	3.8
182.04515	5.5
184.03964	12.9
185.04695	4.2
186.05475	22.8
187.03925	10.0
189.01849	12.3
189.05487	5.7
191.03366	9.4
192.02931	4.4
193.01413	7.1
193.03564	5.4
194.04384	6.2
195.02875	4.7
196.03931	4.9
196.05960	5.4
198.05417	4.0
199.03893	14.9
201.01820	6.8
201.05476	3.5
202.04999	35.1
203.03412	12.9
203.05460	4.7
204.04201	3.5
204.06514	7.5
205.01407	4.4
205.04907	4.2
210.04021	4.8
212.03470	8.3
213.01945	4.5
213.04196	8.2
214.04939	35.2
215.03436	14.9
215.05374	3.8
216.04199	4.2
217.01349	12.2
217.05083	4.1
218.04457	5.3
219.02878	9.7
220.05988	13.3
221.04527	7.0
223.02377	6.8
224.03439	4.6
224.05598	8.7
227.03471	8.1
228.02972	5.2
230.02272	2.3
230.04463	59.4
231.02960	6.8
231.05241	14.8
232.06029	23.2
235.02325	6.1
235.05974	3.4
240.02895	9.2
241.01245	6.7
242.02167	5.9
242.04410	27.8
243.03038	15.2
243.05118	5.5
244.02434	3.7
244.06032	42.1
245.00810	19.5
245.04439	10.3
246.04018	3.8
246.07408	3.4
247.02455	7.2
248.05432	4.9
249.04001	13.5
255.02826	9.4
258.03937	50.9
259.02350	10.5
259.04776	40.4
260.05508	100.0
261.03812	6.3
262.01035	3.5
262.07025	21.8
263.01874	11.5
268.02417	10.6
269.00803	8.3
269.03232	9.6
270.01480	4.1
270.03949	76.8
271.02139	15.3
272.01935	7.4
272.05536	14.4
273.00360	6.1
274.03867	5.3
274.07080	16.3
275.01767	4.1
275.05243	4.9
276.02313	5.5
276.04993	41.7
277.03497	5.6
279.04974	6.4
281.02957	4.6
284.05603	6.4
285.03943	12.5
286.03424	88.4
286.06696	5.0
287.01767	23.4
287.04007	4.8
288.04993	79.6
290.06543	11.0
291.01456	7.9
291.07306	4.5
292.08060	8.8
296.01813	16.4
297.00043	4.3
298.03448	35.3
300.01599	3.5
300.05017	6.6
300.99820	3.9
301.03293	4.9
302.00558	3.4
302.06537	45.3
304.04535	22.1
311.01834	4.7
314.02911	62.6
315.03976	15.0
316.04495	95.3
318.02579	5.3
318.06015	33.2
319.00815	6.3
319.04416	3.2
320.07544	9.1
328.04453	49.0
329.05472	22.4
330.06021	89.8
332.03973	31.1
332.07489	4.8
333.02689	5.2
333.05994	8.2
334.09360	4.6
342.02429	42.7
343.00793	9.4
346.05521	63.5
347.06378	4.1
348.07211	17.9
350.08728	5.0
351.03333	3.7
351.07935	3.0
356.03873	31.6
360.03448	82.8
360.07224	4.6
361.05066	3.3
362.08765	4.0
364.06357	19.5
373.29617	3.4
374.05029	46.5
375.03088	5.1
378.04135	5.5
378.08221	10.2
388.06577	25.1
392.06097	43.2
406.07602	16.0
424.08685	41.2
425.08643	3.2
425.18039	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	424.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.3
55.05494	1.5
57.03426	1.3
60.42131	1.1
61.02900	1.2
67.05496	3.8
69.03414	5.6
69.07050	5.7
71.04996	1.2
71.59422	1.8
78.78394	1.0
79.05489	4.4
81.03391	1.3
81.07039	5.6
83.04959	1.8
85.02896	6.5
85.06540	4.0
91.05450	2.5
93.07039	8.2
95.04975	3.0
95.08598	8.0
97.02883	3.6
97.06541	6.4
99.04437	3.7
105.07021	6.5
107.04952	1.6
107.08583	23.8
109.06504	5.2
113.05994	3.6
119.08566	3.6
121.06498	3.9
121.10122	10.2
123.08055	4.9
127.03920	1.2
135.08058	2.9
135.11678	5.8
139.11119	1.3
145.10115	7.1
147.11684	2.2
149.09610	4.3
151.07533	5.0
153.01834	2.2
163.11172	22.5
167.10648	10.2
169.08586	65.1
170.08888	1.8
173.09613	2.6
175.81715	1.0
181.12209	13.0
185.11748	3.9
191.10643	8.9
209.11752	9.0
215.10693	1.3
227.12764	100.0
228.13165	4.4
245.13802	3.3
246.14774	1.6
342.00034	1.0
377.01620	2.1
378.02078	6.9
395.02786	1.4
396.03079	4.3
425.17642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03920	2.9
55.01860	2.8
55.05297	1.6
55.05505	15.5
57.03419	4.4
57.07068	1.5
57.11675	1.2
57.92765	1.3
59.04984	2.6
65.03918	3.7
67.05498	100.0
69.03416	3.3
69.07061	13.0
70.06590	1.9
71.04965	4.1
71.59430	2.8
79.05059	1.6
79.05487	20.9
81.03390	2.4
81.07048	52.5
83.04971	4.8
83.08604	15.3
85.02879	3.3
85.06526	4.1
91.05475	17.5
93.07034	31.4
93.67802	1.5
95.04961	5.0
95.08602	18.6
97.02863	3.1
97.06510	4.6
99.08095	2.4
105.07030	8.4
107.08584	18.2
109.10141	66.2
111.08077	5.2
117.07002	6.1
119.08559	8.2
121.10148	10.9
123.08064	1.7
123.11707	4.1
131.08543	9.6
133.10100	10.8
135.08031	1.6
135.11667	7.7
137.09622	4.2
143.08557	1.9
145.10115	3.0
147.11674	3.0
149.13231	14.1
155.10675	2.8
157.10159	2.0
159.11691	7.5
161.13222	1.5
166.22287	1.5
173.11740	21.2
173.13156	3.3
177.12735	1.9
183.11601	1.7
187.14745	1.6
195.13805	10.3
261.22147	3.1
292.99606	1.4
351.23041	1.7
369.24191	1.9
387.12482	1.6
423.27390	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53218	1.5
53.03937	3.3
54.03355	1.3
55.01853	3.8
55.05508	12.8
57.03417	5.1
57.07055	4.9
65.03894	1.5
67.05166	2.4
67.05498	31.5
69.03417	4.3
69.07071	10.7
71.04968	4.2
71.08622	3.5
71.59837	2.5
73.02904	3.6
77.45238	1.5
79.05486	32.1
81.03397	3.3
81.07050	40.6
82.13243	1.6
83.04945	2.6
83.08617	4.4
85.06525	2.7
91.05463	14.5
93.07036	35.0
95.04953	3.5
95.08601	26.3
97.02888	29.9
97.06539	3.0
97.10131	1.8
99.04446	15.6
99.08122	3.4
105.07028	17.9
107.08585	18.3
109.02859	3.8
109.06505	20.7
109.10130	12.2
117.07008	4.3
119.08569	15.2
121.10128	16.1
122.07268	2.3
123.08058	42.5
123.11696	4.0
124.87666	1.5
125.09615	1.9
127.03931	9.5
131.08557	7.6
133.10101	6.7
135.08038	8.6
135.11678	11.0
137.09619	3.1
137.13229	2.9
145.04961	2.9
145.10135	7.4
147.11659	7.1
149.09579	3.5
149.13232	6.5
151.56883	1.3
159.11710	4.7
161.13255	4.4
165.12737	1.6
173.13229	5.1
175.14873	3.1
177.12730	3.0
177.16345	1.6
179.14299	80.5
180.14610	2.3
187.14818	1.8
193.15891	3.5
200.53822	1.4
203.17804	2.0
210.56744	1.3
218.68979	1.6
233.19017	2.1
243.21339	2.1
254.15353	2.0
261.22150	7.8
261.24545	1.4
262.02393	1.4
275.20166	3.1
293.21072	1.8
303.26752	3.5
331.26266	33.3
349.27448	9.6
367.24680	2.0
405.30307	2.9
408.85352	1.7
423.31070	100.0
424.31421	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48577	2.8
53.03926	12.1
55.01865	19.1
55.05502	30.1
57.03417	8.2
57.07050	4.1
65.03955	3.4
67.05494	89.4
69.03419	35.5
69.07058	21.1
70.49821	8.0
71.04961	11.7
73.02886	8.8
79.05480	67.5
81.03407	33.5
81.07043	100.0
83.04961	7.9
83.08598	9.9
85.02873	9.1
85.06523	2.8
91.05464	37.5
93.06464	4.9
93.07028	78.0
95.04941	9.7
95.07981	3.1
95.08591	67.4
97.02877	74.2
97.06479	3.3
97.10143	7.6
99.03821	4.8
99.04437	60.5
105.07011	33.3
107.04952	3.5
107.08575	40.3
108.24892	2.4
109.02852	25.7
109.06499	12.9
109.10139	33.7
111.04465	4.1
111.08103	3.4
117.06992	16.4
117.69576	2.6
119.08562	27.7
121.06515	2.5
121.10123	39.1
123.08044	41.6
123.11673	13.0
127.03896	61.5
129.06961	2.9
131.08540	24.1
133.10114	22.8
135.08018	10.8
135.11664	27.8
137.09569	6.5
145.04918	10.7
145.10092	18.5
147.11655	18.9
149.09596	6.0
149.13211	11.6
157.06422	2.6
159.08018	3.5
159.11676	14.1
161.13206	11.2
163.11153	3.1
163.14796	5.6
165.12772	3.2
171.11734	4.6
173.13245	9.4
175.14781	7.3
177.12747	5.2
179.14272	25.7
187.14864	6.8
199.14821	2.9
227.17957	2.7
241.19531	2.9
243.21030	6.6
254.15331	5.7
259.20544	6.6
261.22186	25.5
273.21844	3.1
275.20123	5.7
293.21014	2.9
303.26813	4.2
307.07028	2.4
329.24829	2.8
331.26178	34.6
349.27301	6.4
357.24167	2.9
405.26099	3.4
423.31247	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57046	6.8
52.27713	6.0
55.01857	8.4
55.05512	34.3
57.03424	10.1
57.07077	7.7
67.05498	98.2
69.03410	23.5
69.07052	37.7
69.40704	58.8
69.41123	15.5
71.04989	14.5
79.05482	93.9
81.03406	32.4
81.07047	94.9
83.04953	12.3
83.08610	15.7
85.02890	9.3
85.06529	8.0
91.05470	73.7
91.84402	6.9
93.07035	100.0
95.04966	17.6
95.08599	80.8
97.02863	14.6
97.06499	9.9
98.20760	12.9
98.97599	14.3
99.04464	8.1
105.07017	67.5
107.08586	64.2
109.06541	11.0
109.10126	49.3
111.08063	10.3
117.07008	27.4
119.08572	61.0
121.06494	11.3
121.10136	45.2
123.08078	13.3
123.11685	16.0
127.03843	8.7
129.07007	15.8
131.08554	25.1
133.10112	33.3
135.11688	29.0
139.11259	8.6
143.08565	23.8
145.10097	26.3
147.07988	9.2
147.11664	28.5
149.01228	11.0
149.06084	6.3
149.09673	7.4
149.13231	19.4
157.10147	16.0
159.11673	33.2
161.13254	13.2
171.11624	10.0
173.13223	20.1
177.00766	8.3
183.11702	9.3
185.13164	15.6
187.14738	8.1
189.16452	7.4
197.13316	10.1
213.16389	6.8
249.14571	7.6
259.20505	14.7
261.22128	30.8
277.13837	10.5
277.21539	9.1
289.21579	8.5
341.24261	7.9
369.24207	14.7
387.24973	14.6
405.26178	22.8
423.27274	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	11.5
55.01854	13.1
55.05498	27.8
57.03420	6.5
57.07070	6.1
59.04985	13.3
61.81368	3.0
65.03934	3.7
67.05497	97.5
69.03422	27.5
69.07057	17.2
70.04725	14.2
71.04977	9.8
73.02894	8.8
79.05482	76.7
81.03412	31.3
81.07047	100.0
81.07796	4.4
83.04967	5.4
83.08607	11.7
85.02892	9.0
85.06512	2.9
91.05473	49.7
93.07033	83.1
95.04948	15.7
95.08597	73.8
97.02875	67.7
97.06486	3.3
97.10184	3.7
99.04434	41.7
101.02388	4.6
105.07024	34.5
107.08585	44.6
109.02853	20.9
109.06511	3.6
109.10146	41.6
111.04430	4.6
111.08054	6.0
117.07008	16.0
119.08561	30.5
121.10130	44.4
123.08078	3.5
123.11676	12.0
127.03893	54.5
131.08557	26.5
133.10103	29.2
135.11670	32.5
143.08589	4.3
145.04938	7.3
145.06470	5.4
145.10066	20.5
147.08122	4.3
147.11679	17.3
149.13205	16.9
157.10172	4.8
159.11623	20.0
161.13260	13.4
163.07512	3.4
163.14819	9.9
171.11710	3.7
173.13213	11.3
175.14832	3.9
177.12845	3.1
177.55898	3.0
183.11728	3.9
185.09589	2.8
185.13205	6.1
187.11153	2.7
187.14836	4.5
187.89282	2.6
195.11682	3.2
199.14812	5.6
233.62231	3.1
243.20995	8.1
244.88211	2.7
259.20584	7.7
261.22107	34.5
333.17236	3.4
339.23303	5.2
340.54752	2.8
357.24222	7.8
405.26224	3.0
423.27454	25.8
423.32449	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.6
55.05495	32.6
57.07072	16.7
67.05167	9.4
67.05499	100.0
69.03423	24.3
69.07049	29.0
71.04988	12.2
71.59583	13.9
74.16540	8.1
78.02608	7.2
79.05492	66.6
81.03413	35.3
81.07056	98.7
83.08585	9.9
85.02894	21.3
91.05470	47.4
93.07048	86.1
95.04948	11.0
95.08614	62.8
97.02889	17.3
105.07026	52.0
107.04908	9.1
107.08575	43.8
109.06503	12.3
109.10134	38.9
111.08049	9.9
114.22910	10.2
117.06992	26.6
119.08606	45.5
121.06516	15.7
121.10129	40.6
123.08040	13.2
125.09531	7.6
128.06259	10.0
131.08557	34.8
133.10117	27.5
135.08003	12.1
135.11687	32.0
143.08572	18.7
145.10092	30.3
147.11681	19.3
147.62868	7.5
149.13248	15.0
155.08496	14.0
157.10107	10.4
159.11667	22.6
161.13258	14.8
173.13260	19.4
184.07268	9.6
185.13278	9.9
187.14871	13.3
261.22089	29.4
264.07855	7.8
303.23218	13.5
313.21783	7.8
317.17682	7.6
351.22650	8.8
369.24362	23.1
369.78259	8.1
381.58981	9.9
387.25217	16.2
405.26279	18.7
423.27347	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
55.01861	7.2
55.05508	18.1
57.03415	6.8
57.07064	5.4
65.03933	3.7
66.32075	2.2
67.05496	64.4
69.03424	11.5
69.07053	13.3
69.55038	16.2
71.04986	9.2
73.02904	4.9
78.71111	2.0
79.05052	3.7
79.05489	53.5
81.03419	7.0
81.07047	62.3
83.04963	5.3
83.08602	8.5
84.39336	2.0
85.02895	5.2
85.06541	2.5
89.06032	8.0
91.05476	36.3
92.07873	2.3
93.07034	55.1
95.04960	7.5
95.08121	1.6
95.08593	49.8
97.02879	100.0
97.10175	3.8
99.04436	41.8
105.07007	20.1
107.08586	33.2
109.02887	11.4
109.06458	4.1
109.10139	28.7
111.08064	3.3
117.07007	8.4
119.08577	18.0
119.39649	2.2
121.06493	3.0
121.10132	31.3
123.08059	2.5
123.11668	8.8
127.03897	32.9
131.08575	16.4
133.08565	4.3
133.10120	16.9
135.11658	17.5
143.08600	2.9
145.04898	12.6
145.10103	9.8
147.11667	8.2
149.13246	12.4
157.10139	2.7
159.11688	9.7
161.13248	11.8
163.14839	5.4
173.13235	8.7
186.06982	2.5
187.14830	4.0
200.89687	2.5
243.21112	3.4
256.38168	2.5
261.22116	24.4
262.92972	2.3
295.41190	2.5
329.71747	2.1
333.16968	3.4
423.27075	4.6
423.36282	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2349
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.88484	0.3
55.05502	0.6
56.59322	0.3
56.76073	0.3
56.96540	0.4
67.05475	0.8
69.03408	0.4
69.07063	0.9
70.06511	0.5
70.06918	1.4
79.05486	0.6
81.07047	1.5
83.08631	0.3
85.02900	0.6
90.08351	0.3
91.05453	0.6
93.07025	0.9
95.04955	0.3
95.08603	0.9
105.07024	0.6
107.08595	0.7
109.10137	0.8
116.98718	0.3
117.06992	0.4
119.08611	0.7
121.10118	0.5
132.28789	0.3
133.10098	0.6
139.61264	0.3
143.79576	0.3
145.09990	0.3
149.09625	0.5
159.11761	0.3
177.00676	0.3
201.03624	1.8
203.05251	8.7
228.08687	0.3
243.17252	0.5
279.83981	0.3
283.66110	0.3
287.75534	0.3
361.60718	0.3
394.27560	0.3
423.23523	100.0
424.23813	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	423.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.96558	0.7
67.05486	0.9
68.06692	0.3
69.03403	0.4
69.07063	0.7
70.14230	1.3
79.05485	0.7
79.65082	0.3
81.03414	0.6
81.07045	1.4
81.36228	0.4
83.08565	0.5
85.02907	0.6
85.06490	0.3
86.09735	0.3
91.05451	0.3
93.07059	0.9
95.08603	1.1
101.70771	0.3
105.07021	0.7
107.08591	1.1
109.06481	0.5
109.10142	0.7
113.77913	0.3
118.71701	0.4
119.01989	0.4
119.08617	0.9
121.06517	0.4
129.88402	0.4
133.10127	0.6
135.11700	0.5
145.10141	0.3
153.01764	0.5
159.11774	0.4
163.11136	0.4
165.09183	0.4
171.11710	0.5
178.11499	0.3
183.11554	0.4
203.05263	0.8
231.87349	0.3
279.12259	0.4
297.00690	0.4
423.23517	100.0
424.23911	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	423.2346
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
51.49297	0.7
55.05490	1.1
56.96546	1.2
67.05485	2.8
69.07056	1.6
70.05167	0.7
71.48278	0.7
71.48591	1.2
73.92548	0.6
79.05450	1.7
81.07039	3.0
83.04962	0.7
83.08614	1.2
85.02900	1.0
91.05463	1.6
93.07022	2.0
95.04949	1.5
95.08643	1.8
105.06991	1.8
107.08568	1.9
109.10154	2.1
119.08564	1.5
121.06521	0.9
121.10062	0.8
123.11654	0.9
130.02032	0.7
131.08585	0.9
133.10161	1.4
133.25060	0.7
134.00078	0.7
145.10127	1.0
153.01801	1.0
159.11705	1.4
169.08627	0.7
187.14966	0.8
189.12645	0.9
201.03645	5.9
203.05165	3.4
245.18895	0.9
256.34186	0.7
267.10675	0.9
271.41534	0.8
302.13647	0.7
340.65500	0.8
423.23483	100.0
424.23798	5.3
444.42502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
57.03430	15.0
60.18120	1.8
61.02927	11.3
69.03419	28.2
69.65285	13.6
70.20758	1.6
71.01337	4.2
71.05011	1.9
71.17989	1.7
72.01877	1.7
73.02906	65.5
81.03387	4.9
85.02894	59.3
87.04471	2.5
91.03928	2.5
91.05466	100.0
92.05766	2.2
97.02879	59.6
103.03953	3.5
105.06954	2.1
109.02903	3.5
115.03920	27.3
117.07029	2.0
127.03890	20.7
129.06973	3.4
131.08595	2.3
132.06500	2.3
133.04930	27.3
133.06458	5.5
145.04921	27.2
145.06453	4.0
150.07520	2.4
161.04494	2.7
163.06009	11.4
175.07500	2.0
217.08653	3.6
223.06044	3.2
241.06992	6.0
259.08035	6.0
395.98764	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	4.5
55.93513	4.7
56.94315	3.5
56.96570	3.4
67.05487	11.8
69.03425	3.3
69.07059	9.0
70.95852	5.9
71.59752	5.7
72.93789	17.5
79.05486	5.8
81.03408	9.5
81.07035	12.9
88.96905	3.7
90.94833	15.2
91.05470	7.2
93.07010	4.7
95.04940	5.2
95.08566	5.3
105.07019	5.8
108.95845	5.6
109.10190	2.8
116.96350	3.7
117.06994	4.7
119.08573	5.0
121.06592	4.1
121.10142	3.6
128.96323	5.2
142.97928	4.0
144.99467	5.5
145.10094	3.7
146.97360	3.4
148.98936	4.4
154.97949	4.6
165.00044	3.3
166.97937	4.5
172.98990	6.7
175.52866	3.0
178.97870	4.5
184.98805	4.4
199.00493	4.4
199.02161	5.2
201.03609	5.0
207.01147	3.8
215.03471	3.0
255.09058	3.7
259.06201	5.8
265.05112	7.3
271.06226	15.9
283.06262	28.9
299.05899	4.6
299.10715	4.1
311.05783	4.3
338.16574	4.5
345.11359	24.9
363.12494	100.0
363.17007	5.7
364.13135	4.9
381.13559	28.9
404.15112	13.5
422.21973	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01845	3.1
55.05489	7.2
57.03424	2.8
60.04518	2.9
60.37568	2.2
67.05508	13.1
69.03419	6.2
69.07050	8.5
71.04977	2.5
71.59495	2.7
72.60118	2.4
72.93773	3.1
74.15202	2.4
78.01559	2.2
78.65452	2.3
79.05485	13.8
81.03389	5.2
81.07062	17.3
83.04964	3.0
85.02889	4.2
91.05455	18.3
93.07020	30.3
94.07367	2.6
95.04963	14.0
95.08607	14.2
96.05281	2.7
97.06530	5.5
97.10119	2.8
105.07000	22.0
107.08589	28.0
109.06489	7.8
109.10133	15.9
111.08073	6.0
115.05444	2.9
119.04940	6.2
119.08569	33.3
121.06498	8.0
121.10110	24.0
123.08064	7.6
123.11682	4.6
125.09602	3.1
125.67706	2.3
129.07002	4.9
131.08539	6.0
133.10114	19.7
135.08008	10.6
135.11685	14.3
137.09589	27.4
139.11189	7.3
143.08543	10.0
145.10103	11.8
147.08057	7.9
147.11682	13.5
149.09599	60.0
151.11185	13.9
156.09372	4.5
157.10126	6.3
159.08003	3.4
159.11659	5.4
160.08846	3.6
161.09618	9.4
161.13225	15.4
163.11124	14.1
165.09071	2.6
171.11658	11.0
174.10356	4.1
175.11154	4.2
175.14810	4.1
177.12549	3.5
187.11156	2.6
189.12724	100.0
191.14294	7.1
197.13254	3.3
199.14726	4.8
201.12848	2.8
215.14272	2.5
217.15872	4.3
225.12752	2.9
271.20514	3.8
281.18979	10.5
299.20032	33.1
305.29376	2.5
317.21072	31.7
330.21274	4.5
386.23532	3.2
404.24493	9.0
422.21378	12.7
422.26904	4.2
422.34814	3.4
423.23367	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09689	1.3
55.01855	2.3
55.32592	1.3
57.07042	1.6
57.43946	1.2
60.04501	1.5
60.75640	1.5
60.75991	1.2
61.01139	9.3
61.63582	1.4
70.06577	2.3
70.84880	3.1
70.85234	2.2
71.55499	1.2
72.04513	12.3
72.08132	3.9
73.02917	1.7
77.00612	1.5
78.03783	18.2
83.04977	2.1
84.08122	2.1
85.02917	10.0
85.06529	1.6
86.06068	2.2
86.09692	1.7
88.02202	5.8
89.28294	1.4
91.05460	2.9
93.55249	1.3
99.04450	7.2
99.05552	4.4
102.03757	28.8
103.02150	3.5
103.03928	16.8
109.02857	3.9
112.11229	4.7
113.05975	2.2
114.03764	3.9
114.05522	1.7
119.04940	2.1
120.04808	6.3
126.05508	18.9
126.12793	1.7
127.03892	7.6
129.13901	2.1
131.06345	12.2
132.04779	16.2
141.06583	2.2
142.08611	5.4
147.04498	3.4
149.07430	60.6
154.08553	3.6
159.05867	2.6
169.90445	1.4
170.04826	1.5
175.03911	4.6
175.05345	3.2
177.05466	1.8
180.06569	14.3
184.09686	2.3
191.35701	1.5
198.07631	3.8
207.06474	4.2
216.08664	3.7
231.11592	4.5
239.42931	1.5
257.09357	1.6
259.10718	1.5
261.12616	3.4
273.04099	3.3
274.00165	1.9
275.10669	3.1
293.11633	100.0
343.87555	1.5
405.12167	2.4
405.16895	36.6
423.13519	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50853	0.4
55.01857	0.5
63.31119	0.4
66.04716	0.4
66.40854	0.4
67.05502	0.7
70.14567	0.7
70.14964	1.3
72.93781	1.2
75.76381	0.4
76.50796	0.5
79.05469	1.1
81.07045	1.1
89.96429	0.7
90.69846	0.4
90.94797	0.5
91.05461	1.5
93.06996	0.6
94.04182	4.4
104.99254	0.5
107.04979	0.4
109.10154	0.5
122.03632	9.1
132.38503	0.4
137.05962	100.0
138.06297	1.3
146.97398	0.5
150.96916	0.5
158.62012	0.4
176.96402	0.9
193.98904	0.4
194.97377	13.8
207.00999	2.7
208.98901	1.5
210.99217	2.0
211.97675	0.8
212.98439	16.4
217.98955	1.5
226.05199	1.3
235.97678	5.1
250.99991	58.5
251.92328	0.4
252.00175	1.4
253.98689	19.0
254.98965	0.6
269.00977	2.3
277.00235	1.4
284.09390	1.4
292.02579	4.0
296.09662	1.0
345.10236	2.2
360.12473	2.5
378.13635	7.2
420.14618	19.3
421.15018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30603	0.6
51.82246	0.6
55.01855	2.6
56.02151	0.6
56.96567	0.9
56.98592	0.6
57.52570	0.6
65.03924	0.8
67.05503	1.1
69.03420	1.0
71.04974	1.1
71.60006	0.9
76.68996	0.5
79.05474	1.5
81.07021	1.6
85.02887	2.4
91.05470	2.0
93.07021	1.1
95.08578	1.0
97.02904	0.7
98.97585	0.6
105.07008	1.0
107.04927	0.7
119.08620	0.6
121.06487	0.8
131.04886	0.9
137.05928	0.8
141.39798	0.6
144.08015	0.8
147.04391	1.7
149.05974	1.0
153.01813	2.7
155.07315	0.7
155.08490	1.4
159.07970	0.6
160.07458	0.6
161.05905	0.6
167.07033	3.7
168.07346	0.9
172.07629	3.0
175.07568	0.7
177.05470	1.4
178.05800	1.4
181.04974	4.2
181.06374	0.9
182.05304	1.8
183.06689	0.9
183.08122	1.2
184.07208	0.5
187.09831	0.7
192.07355	0.7
197.08374	1.5
198.09077	3.1
200.07016	3.2
207.52927	0.6
209.08040	2.5
210.08435	2.5
214.08617	1.7
215.09383	2.7
224.07025	0.8
226.08652	4.0
228.06502	8.3
242.08083	1.9
243.08908	10.4
250.11403	0.7
258.11240	100.0
259.11548	2.4
366.35071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
54.02452	1.6
55.01860	3.7
67.05487	3.3
69.03401	2.8
69.36357	1.6
69.61125	1.7
69.98769	5.9
69.99172	3.7
70.06550	1.9
70.40314	1.8
70.58411	1.5
76.37132	1.5
78.29140	1.7
79.05474	7.0
80.43117	1.4
81.03414	2.9
82.17443	1.6
85.02921	1.6
91.05465	6.8
93.07043	1.6
95.04955	38.4
95.96803	1.6
97.02888	2.6
103.05468	3.4
105.06982	2.6
107.04932	13.5
111.04463	2.6
115.05430	7.9
117.06985	13.5
122.03607	2.4
123.04413	46.0
125.05981	6.2
126.48530	1.6
128.06209	3.6
129.06972	6.9
131.04910	6.0
131.08510	5.2
132.05659	3.9
133.06520	2.5
137.05971	11.5
140.04684	11.3
141.05464	5.5
141.06985	2.9
144.05640	1.9
145.06468	31.1
147.04367	5.7
149.05943	3.3
152.04675	2.4
153.05444	10.8
153.06929	2.1
154.06207	5.8
155.05905	3.0
155.07030	27.4
156.05666	14.8
157.06465	9.6
158.07239	1.9
159.08061	6.6
160.05107	3.1
161.05969	6.6
163.07510	2.0
165.06918	1.9
167.07021	74.9
168.07593	7.0
169.04932	5.4
169.06331	3.3
170.07246	1.7
171.08060	1.9
173.05959	39.5
174.06714	3.8
175.03984	4.2
175.07567	5.0
177.05455	3.6
179.07071	2.0
180.05708	3.0
180.07689	2.1
181.04926	2.3
181.06464	4.6
182.07193	2.3
182.09332	8.1
183.06512	76.1
183.07974	3.3
184.05322	4.1
184.07239	23.6
185.05933	2.2
186.06721	1.9
187.07529	9.2
189.05511	2.1
189.09021	5.0
190.06224	28.2
191.06946	5.1
192.07806	4.9
195.08009	2.0
198.06625	2.4
199.07524	4.9
200.08345	1.7
201.05507	2.4
202.06209	11.0
203.06969	11.0
204.07593	2.4
205.08565	39.9
205.10312	3.4
206.07135	2.1
206.08975	2.7
207.06415	3.2
207.08130	2.9
207.10063	2.7
208.08746	3.2
210.08792	19.6
213.09109	2.7
215.06985	3.6
217.08562	100.0
218.07249	4.2
218.09254	19.5
219.07947	6.1
219.10107	5.7
220.10890	9.0
223.13197	3.0
230.09351	5.1
231.08005	3.2
233.09651	8.1
234.06641	4.1
234.08810	3.8
235.07375	5.1
235.09676	4.9
236.08188	4.7
237.08981	2.1
238.11908	8.7
241.08492	9.1
247.07498	6.4
248.08424	2.8
248.10402	15.3
249.05554	3.3
249.08890	4.7
249.11247	8.3
250.11510	5.6
251.10693	4.6
261.09033	8.9
262.09769	2.7
263.06870	3.9
264.07730	11.1
265.08499	7.0
266.11377	2.8
268.11066	3.2
269.07947	6.3
277.08511	6.7
278.09186	4.2
279.07303	1.9
279.10129	10.2
291.10040	3.1
292.07370	2.4
292.10516	2.3
293.08066	2.7
293.11594	5.9
295.09680	3.1
296.10233	2.0
299.09161	2.5
300.05786	5.9
307.09515	15.8
308.09851	2.2
309.11044	2.0
310.98285	2.2
311.09094	2.6
311.12686	7.1
315.08487	2.7
321.11237	7.9
329.10080	6.2
330.06754	2.6
331.07715	2.1
331.11478	2.4
338.07031	3.8
339.12122	16.6
340.12711	2.3
341.13733	2.8
344.12463	7.7
353.13657	5.9
354.06647	3.9
356.12012	2.2
359.14771	2.9
369.13199	3.0
370.13733	7.0
371.14813	48.3
372.15384	4.0
384.07941	7.5
384.15631	4.2
387.14230	6.2
402.16266	13.4
420.17609	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	419.1695
Annotation	CHEBI:67622
Peak:m/z	Relative Intensity
53.03935	5.5
55.01849	16.3
59.51033	4.0
60.86110	4.3
62.75611	4.4
65.03914	6.2
67.05484	4.6
69.03391	4.7
70.06561	6.6
70.70607	8.6
70.70945	7.6
71.25760	3.9
71.56423	3.9
79.05482	22.6
81.07030	11.3
83.04961	4.7
84.08109	4.7
85.02877	11.6
91.05468	17.6
93.07001	10.7
95.04965	18.4
97.02871	5.0
103.05477	4.9
105.07005	14.6
107.04946	31.9
107.08576	4.8
109.02921	5.2
115.05449	8.7
116.06224	5.6
117.07009	6.7
119.04942	13.3
121.06526	5.8
122.03680	5.4
123.03494	3.8
123.04392	24.6
124.05151	9.5
125.06013	5.8
128.06209	8.9
129.07007	16.9
130.50110	4.2
131.04895	8.1
131.08530	19.9
133.02754	5.0
133.06480	6.2
133.10071	4.2
140.04726	5.9
141.06934	7.4
143.08427	4.1
144.05708	11.4
145.06497	8.2
147.04407	11.8
149.05901	6.6
153.05467	6.4
157.06430	5.7
159.07994	31.5
161.05966	11.4
161.09546	7.8
167.07016	94.2
168.07268	7.4
170.07233	9.8
171.07939	5.1
173.06047	6.0
175.03983	10.1
177.05472	21.9
181.05003	28.9
183.06523	37.5
187.07500	20.2
189.08891	6.1
191.06923	24.3
204.07710	7.9
205.08505	11.0
207.06519	11.4
209.08025	15.8
217.08548	13.8
218.07385	5.7
218.09285	7.6
219.08051	11.1
219.10159	26.5
221.07971	8.8
231.07985	10.9
231.10178	12.5
234.06622	6.6
235.07640	5.5
247.07425	14.9
247.09706	6.8
248.08351	8.2
249.08928	6.5
249.11203	100.0
263.07327	5.0
263.10553	8.9
264.07712	7.4
272.06470	10.5
273.06268	11.0
276.07819	9.1
277.08612	8.6
279.10068	10.2
279.45813	4.5
287.05429	20.9
290.09369	6.6
291.09875	9.8
292.07233	5.3
293.07974	10.0
307.09549	18.5
311.12567	7.5
319.09860	5.5
323.09073	4.7
323.12491	4.7
337.10690	9.2
339.12158	5.2
351.11938	8.2
369.13379	57.5
371.14990	5.7
389.15839	21.8
401.15927	83.3
419.16797	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01865	55.7
65.03931	9.7
65.56796	1.2
67.05489	6.8
69.03416	2.9
69.96116	1.1
71.08640	1.3
71.59685	1.5
71.60030	1.9
73.20468	1.3
78.65233	1.4
79.05483	10.9
80.00956	1.5
81.03411	1.9
81.07047	3.9
82.04195	4.4
85.02885	7.7
86.09673	1.5
88.22556	1.4
89.03934	1.8
91.05475	11.1
93.03375	2.1
93.07017	4.5
94.04207	1.3
95.04956	8.8
95.08642	3.1
97.02881	2.1
97.06532	2.0
103.05457	15.3
104.88640	1.3
105.03365	1.6
105.07019	14.2
106.04140	1.3
107.04948	11.6
107.08611	2.7
108.02057	3.0
109.10154	1.4
109.86999	1.2
110.03653	5.4
111.04436	3.2
115.05421	7.5
116.06172	1.3
117.03404	1.3
117.07037	2.9
118.04182	2.3
119.04916	3.8
119.08566	2.2
121.05746	1.6
121.06486	8.0
123.04410	10.9
124.05210	5.6
125.05985	4.4
129.07004	3.7
131.04907	9.6
131.08551	5.7
133.06490	14.0
134.03561	1.7
135.08078	1.9
137.05936	2.4
138.03082	2.5
141.06969	2.3
142.02608	2.8
143.06026	1.7
144.05670	6.5
145.06480	5.0
147.04424	1.8
147.07979	1.8
148.05182	5.3
149.05965	18.0
152.04694	2.1
153.01865	3.1
153.05426	2.9
155.07019	1.9
156.05704	2.2
157.06555	2.0
159.04425	1.6
159.08043	6.9
161.05980	16.0
163.03835	1.5
163.07545	8.3
167.07022	72.8
169.07645	2.2
171.06502	6.0
173.05977	4.3
175.07576	2.9
177.05440	57.2
178.06160	1.9
181.04935	100.0
181.08533	3.6
182.05255	2.1
183.06490	5.9
183.07967	1.9
187.07536	7.5
190.06270	1.8
191.07001	30.8
191.08502	1.5
192.07668	1.8
193.08578	11.8
203.07051	1.7
204.07840	2.9
205.06711	2.0
205.08574	12.6
209.08064	93.3
217.08551	2.4
218.07153	2.0
218.09235	1.5
219.08061	3.1
219.10135	8.2
221.06032	1.8
221.07927	3.3
235.07555	2.0
235.09645	3.2
236.08391	2.1
247.07462	2.8
247.09698	9.4
249.08958	2.0
249.11203	12.8
258.11163	2.4
259.07416	1.7
263.07175	1.5
263.10736	2.3
264.07898	1.5
265.10751	6.8
277.04977	1.5
277.08417	2.1
279.10278	2.4
291.10043	2.9
295.09262	2.0
307.09598	2.3
308.10300	1.5
323.09317	1.6
339.12399	1.7
340.13016	1.5
351.12253	4.0
369.13281	8.7
371.15094	2.2
383.14877	1.7
389.15756	2.9
401.15891	15.1
419.16400	11.7
419.21512	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
51.10575	0.9
52.70093	1.2
53.03925	2.0
55.01871	54.3
57.03424	1.0
59.26501	1.3
60.35029	1.1
65.03927	8.6
67.05506	5.0
69.03433	2.0
69.07079	1.1
70.05904	3.0
70.06300	1.7
70.96233	1.0
77.03922	1.4
78.04708	2.3
79.05493	9.5
82.04206	3.9
85.02910	8.4
87.60928	1.0
89.03912	2.0
91.05479	8.3
93.07012	1.6
95.04958	7.1
97.06505	2.9
103.05469	11.5
105.04558	1.4
105.07033	14.8
107.04953	11.7
107.08570	1.5
108.02086	1.6
110.03635	4.3
111.04397	3.3
115.05440	6.4
116.06233	2.1
117.07067	1.6
118.04114	1.1
119.04958	1.4
121.06499	8.2
123.00745	1.6
123.04440	8.3
124.05196	2.6
125.06008	5.0
128.06184	2.1
129.06982	3.2
131.04938	6.1
131.08582	5.4
133.06480	12.1
134.03598	1.3
135.04437	1.6
137.05936	1.8
138.03149	2.6
141.06955	2.2
142.02592	2.5
144.05685	5.9
145.06464	4.2
148.05179	2.4
149.05977	18.0
151.03857	1.8
152.04680	2.4
153.05479	2.8
155.07013	3.2
157.06470	1.2
159.04404	2.4
159.08051	8.2
161.05968	18.3
163.03899	2.5
163.07556	2.8
167.07040	76.1
168.07314	1.4
171.06535	7.2
173.05991	3.1
175.07605	1.6
177.05466	60.9
178.06192	1.8
181.04955	98.5
182.05293	1.5
183.06528	6.4
186.06709	1.2
187.07535	8.3
191.07019	15.8
192.07678	1.3
193.08630	12.0
203.06927	1.4
204.07756	2.1
205.06700	1.8
205.08549	11.5
209.08083	100.0
210.08408	1.6
217.08551	1.8
219.08018	4.0
219.10172	10.3
221.08063	2.4
231.08186	1.3
234.06693	1.4
235.09604	2.9
246.06708	1.1
247.07419	3.1
247.09669	10.4
248.08485	1.7
249.09064	1.7
249.11259	8.8
262.06387	1.2
263.07013	1.8
263.10773	1.6
264.07736	1.5
265.08423	1.1
265.10785	8.6
274.06198	1.2
277.08545	2.5
279.10117	1.6
287.05560	1.4
291.10132	2.1
292.07077	1.1
293.08154	1.2
307.09686	3.1
309.08438	2.5
319.09641	1.6
323.09268	1.7
323.12775	1.6
351.12375	2.5
354.68152	1.2
369.13596	8.3
371.14850	2.0
382.25623	1.1
383.14856	2.6
389.15686	2.9
401.16064	13.0
419.16611	8.7
419.20612	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01616	3.0
55.01869	44.4
56.62831	1.6
56.96555	2.4
57.03443	2.1
65.03934	11.7
67.05502	7.5
69.03424	4.5
69.88567	8.9
77.03900	2.4
78.04716	3.2
79.05493	11.6
80.05096	1.6
81.03396	1.9
81.07046	5.5
82.04188	5.4
85.02905	10.8
89.03885	2.6
91.05479	9.8
93.07059	3.0
95.04963	18.3
97.02894	1.6
97.06533	3.1
103.05460	28.0
105.03403	2.7
105.07024	18.5
106.04157	2.9
107.04948	16.5
107.08580	2.2
108.02086	3.1
110.03670	5.6
111.04414	3.7
115.04762	1.9
115.05452	10.1
116.06250	3.0
117.07040	4.8
118.04163	6.3
119.04926	3.3
119.08533	2.3
121.06486	6.3
121.10164	2.1
123.04417	17.8
124.05221	4.5
125.06014	5.2
125.81661	1.8
128.06213	8.2
129.06981	9.6
130.04207	2.4
131.04919	22.1
131.08589	9.2
132.05638	1.9
133.02875	2.0
133.06476	14.6
135.04410	2.8
135.08037	3.2
137.05963	3.1
138.03140	3.1
140.04678	3.6
141.06050	1.6
141.06979	9.0
141.07979	1.7
142.02600	4.2
142.07776	4.1
144.05698	12.0
145.06474	8.1
147.04401	4.8
147.08070	2.9
148.05162	9.0
149.05978	16.5
151.03897	4.0
152.04643	2.8
153.01851	2.6
153.05492	4.2
153.06979	2.8
155.04913	2.8
155.05981	2.8
155.07065	3.6
156.05759	4.3
157.06467	6.9
159.04414	4.4
159.08031	17.5
160.05099	2.9
161.05962	16.8
161.09581	1.8
163.04005	3.2
163.07561	20.4
167.03607	2.0
167.05617	3.6
167.07037	76.4
168.04211	3.5
168.05714	1.7
168.07320	2.3
169.06392	2.1
169.07701	3.3
170.07274	14.6
171.04468	2.0
171.06540	9.0
171.08047	4.7
172.05182	2.3
173.05980	7.3
175.07550	5.5
176.04659	2.5
177.05453	45.9
178.06210	2.6
179.07167	1.9
181.04950	100.0
181.08447	3.9
183.06493	22.4
185.05995	2.4
186.06728	2.0
187.07550	12.0
189.05495	2.3
189.09093	3.3
191.07014	75.3
193.08537	12.1
198.06804	3.5
199.07564	5.8
202.06186	2.7
203.07074	6.4
204.07722	4.0
205.08556	11.2
207.06567	2.1
207.10210	2.0
209.08073	73.9
215.07143	2.5
216.07756	5.9
217.06689	3.4
217.08566	16.8
218.07341	3.6
218.09341	11.2
219.08151	3.4
219.10139	37.9
221.06076	2.6
221.08078	7.2
231.08043	3.3
231.10153	25.7
232.10844	2.4
234.06775	3.5
235.07527	2.1
246.06720	3.4
247.07501	4.5
247.09711	6.0
248.08316	3.4
249.09007	3.7
249.11226	23.4
251.07256	2.4
260.08322	1.8
261.09177	2.8
263.06961	3.1
264.07993	2.6
265.08340	2.2
265.10822	4.8
275.01895	8.0
277.08575	5.8
279.10229	5.5
284.01553	2.4
287.05460	2.9
291.06613	2.1
291.10248	3.1
292.07492	1.9
293.08060	2.8
295.09674	3.5
305.08215	3.7
307.09735	7.9
309.11301	3.1
323.12921	2.8
337.10815	4.7
339.12222	2.1
351.12387	4.3
369.13428	20.8
389.15881	4.0
401.15912	55.0
402.16199	2.0
419.15298	3.1
419.20798	35.5
420.20731	2.0
421.53467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01860	4.6
65.03938	3.9
67.05509	4.2
69.41462	5.9
69.41881	11.3
73.02888	1.9
78.04712	3.7
79.05486	14.3
81.07024	2.4
85.06529	4.3
91.05486	10.0
95.04955	11.1
103.05451	4.0
103.97869	2.0
105.07034	6.2
107.04935	23.1
111.04426	2.1
115.05450	5.6
116.06246	3.5
117.07016	6.4
118.89320	1.8
119.04926	2.0
121.02847	2.0
121.06538	2.2
123.04404	16.8
124.05209	6.7
125.05976	3.5
128.06230	4.4
129.06984	11.2
131.04941	6.4
131.08563	18.5
133.06480	6.2
133.10165	2.7
137.05945	4.2
137.09579	2.8
140.04691	4.9
141.06999	7.9
143.08539	2.6
144.05746	10.1
145.06470	6.8
147.04301	2.5
149.06012	4.5
151.03934	2.8
153.01787	3.9
153.05487	2.6
156.05659	5.0
157.06496	7.3
159.08037	26.3
160.05162	2.9
161.06000	7.3
161.09581	3.0
165.05424	3.1
167.07018	76.4
167.79497	2.0
168.04219	3.3
168.07379	2.6
170.07307	8.9
170.93880	2.1
171.07999	3.5
172.05205	3.6
173.05957	9.3
174.06761	3.0
175.03813	2.1
175.07526	4.2
177.05482	6.9
179.08485	2.3
181.04953	7.7
183.05038	3.9
183.06528	30.9
184.05293	2.1
187.07504	15.9
189.07004	3.8
189.09117	5.9
190.07721	2.6
191.07021	7.4
191.08513	2.6
193.08533	3.9
199.07559	2.8
201.05409	2.7
203.06952	5.8
203.08592	2.8
204.07834	8.7
205.06631	4.3
205.08588	5.6
206.05627	2.3
206.07327	2.2
207.08157	2.8
207.10112	2.2
209.08063	5.3
216.07796	3.8
217.08557	12.0
218.07265	7.0
218.09254	5.0
219.08043	11.3
219.10173	27.2
220.08803	5.8
221.06168	3.2
221.07922	10.0
221.11681	2.2
231.08054	8.1
231.10182	11.4
232.08630	2.2
233.05959	2.9
234.06657	4.5
235.07489	6.5
236.08398	2.8
246.06697	2.9
247.07530	14.0
247.09761	4.2
248.08290	8.9
249.09119	4.8
249.11205	100.0
250.11598	3.0
251.07025	3.2
261.09079	3.0
262.06268	3.6
263.07053	6.5
263.10641	5.6
264.07809	7.3
265.08563	2.7
275.07071	4.1
276.07785	5.8
277.08563	12.8
278.09216	2.8
279.10165	9.3
287.05478	10.5
289.08435	2.2
290.05896	2.1
290.09225	2.2
291.06656	4.5
291.10190	7.0
292.07263	4.2
293.08212	5.3
294.08783	2.3
295.09637	6.3
305.08145	2.8
307.09537	17.9
308.10400	4.9
309.11191	5.7
311.12531	5.6
319.09680	3.0
322.08206	2.3
323.09122	4.7
323.12671	4.9
330.11050	2.6
337.10687	8.0
338.11340	2.8
339.12231	3.9
341.13947	2.1
351.12341	6.5
354.11026	2.2
355.11859	4.1
369.13290	54.2
371.14966	4.0
383.14938	3.6
389.15961	16.3
401.15924	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	419.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17858	2.0
55.01868	5.0
65.03941	2.7
71.52122	4.6
72.05511	2.4
78.04717	3.5
79.05475	14.6
81.03442	3.0
81.07027	3.6
85.02874	3.0
91.05469	8.7
95.04414	2.3
95.04962	14.7
96.41391	2.3
105.07022	6.4
107.04951	28.3
110.03656	2.8
115.05438	5.6
117.07002	4.2
119.04917	3.0
122.03667	4.5
123.04420	22.2
124.05219	5.8
125.05960	5.7
128.06200	5.2
129.07007	16.5
131.04916	8.1
131.08556	18.5
133.06490	5.6
133.10133	3.0
137.05899	5.3
139.03865	4.4
140.04654	5.1
141.06984	8.1
142.07657	2.2
144.05731	13.4
145.06476	8.9
146.07288	2.7
151.03853	4.5
152.04649	2.8
153.01886	3.6
153.05434	4.8
156.05652	6.0
157.06465	10.2
158.07262	5.0
159.08043	32.5
161.05986	4.3
161.09555	4.0
165.05536	3.5
165.06883	3.2
166.22545	2.5
167.07039	92.6
168.04202	4.3
169.06435	3.4
169.07712	4.3
170.07262	9.7
171.06540	2.7
171.07991	4.8
172.05231	3.9
173.05995	7.2
175.07547	4.7
177.05467	8.8
181.04962	11.6
183.06531	35.9
187.07507	25.9
189.05513	4.2
189.09134	6.6
191.06993	7.3
191.08524	3.3
193.08589	3.6
199.07526	2.6
203.07025	7.5
204.07788	10.3
205.06406	3.3
205.08592	5.5
207.06415	4.0
207.08109	4.9
209.08038	7.4
216.07777	5.0
217.06619	4.3
217.08572	15.2
218.07289	6.8
218.09416	4.8
219.08058	15.9
219.10153	35.5
220.08775	3.7
221.06038	4.1
221.08038	8.3
221.09833	3.3
222.06781	2.8
231.08003	8.3
231.10175	16.2
232.05589	2.6
233.09662	3.2
234.06699	6.1
235.07419	6.3
236.08357	6.8
245.09541	4.8
246.06734	5.0
247.07513	14.2
247.09793	5.0
248.08235	8.8
249.05701	3.0
249.09062	7.6
249.11234	100.0
250.06184	2.7
251.10800	2.6
261.09012	5.5
263.06985	7.2
263.10574	4.2
264.07819	8.3
265.08475	4.3
267.10211	3.2
276.07886	6.3
277.08588	9.2
278.09467	3.8
279.06616	3.0
279.10153	9.8
287.05447	7.2
291.06812	3.7
291.10092	7.7
292.07443	7.0
293.08139	5.0
295.09598	8.2
306.09033	3.0
307.09485	18.7
308.10284	4.9
309.11276	6.0
311.12601	5.3
319.09641	4.5
323.09158	5.1
323.12823	8.2
337.10852	5.6
338.11270	5.9
339.12308	4.6
341.13797	4.5
351.12103	5.5
355.11957	4.8
369.13333	60.9
371.14951	2.9
383.14880	2.9
389.15921	17.9
401.15985	83.6
417.72818	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	419.1331
Annotation	Natsudaidain
Peak:m/z	Relative Intensity
53.53746	1.0
67.05499	1.2
67.69341	0.8
69.07037	0.9
71.17362	1.2
75.77189	1.0
79.05479	1.5
81.07013	1.0
93.07034	1.5
95.08578	1.5
100.76781	0.9
107.08560	1.1
115.59405	0.9
121.10130	1.0
133.10120	1.2
152.71619	1.0
165.05464	8.9
166.16371	1.1
239.03204	1.2
274.04700	1.5
275.05414	1.2
285.03903	3.1
297.04248	1.3
300.06287	3.6
303.04971	5.4
313.03497	5.0
317.06598	1.1
318.07034	1.4
328.05759	12.4
331.04416	8.1
343.08078	5.7
346.06784	9.5
347.07568	1.4
361.09164	18.7
362.09631	2.0
371.07501	6.3
374.06412	2.6
376.39178	1.0
386.09964	2.3
389.08612	69.6
390.08914	4.7
404.10938	13.5
419.13297	100.0
420.13657	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	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.56564	0.6
55.01877	1.0
55.05505	1.0
56.69153	0.7
64.99969	0.6
68.99796	0.9
69.03423	1.1
70.06599	1.1
70.27030	2.2
73.02880	0.8
79.01847	3.5
79.05490	0.7
81.03440	1.2
81.26656	0.5
85.02898	1.6
91.05476	1.4
93.03406	0.6
95.04963	0.9
97.02904	0.8
97.54632	0.6
98.97592	0.8
103.05494	0.7
107.04935	0.9
108.59054	0.6
109.02854	1.2
111.04434	0.6
119.04960	0.8
121.02876	1.2
135.04422	2.7
136.05215	1.1
137.02325	12.7
137.05951	1.0
145.02812	0.8
147.04459	1.5
153.01830	2.8
161.02414	2.5
161.06050	0.6
162.65265	0.6
163.03944	1.5
164.04533	0.6
165.01857	1.2
167.03456	1.0
167.07080	1.7
167.52808	0.6
175.03926	1.2
175.07617	0.7
176.04497	0.6
177.05460	1.0
179.03395	2.0
181.04974	1.2
183.02945	1.3
183.06520	0.8
187.04047	0.9
191.03391	1.2
193.04961	0.8
203.03401	1.5
205.04967	3.4
207.02940	0.7
207.06587	1.0
213.05466	0.8
219.02901	1.2
226.06293	0.7
227.07198	1.0
227.09732	0.6
229.04901	4.2
231.02917	1.8
243.06602	1.5
244.07323	1.3
244.99907	0.6
247.06081	1.9
249.03851	3.7
249.11282	2.1
254.05878	0.9
255.06758	0.7
259.06012	1.5
271.06027	5.1
272.06680	6.8
275.05270	0.9
282.05130	0.7
287.05667	2.0
287.14655	1.1
295.06073	1.3
299.05472	43.8
300.06259	29.8
301.06964	2.0
311.05423	12.3
313.07016	30.0
314.04092	0.7
321.07458	1.3
323.05521	1.6
324.06393	1.7
325.07031	6.4
327.04990	1.9
327.08688	6.5
329.06519	57.5
330.07031	1.5
332.05167	0.7
337.07007	5.8
339.05054	1.3
340.05762	1.0
341.06500	7.3
343.08130	1.2
353.06540	25.4
354.06851	1.0
355.08105	5.9
359.07584	11.8
359.11624	1.0
365.06540	4.7
371.07663	1.2
383.07581	61.2
384.08023	1.7
401.08636	36.1
402.09061	1.2
419.09814	87.3
419.18735	100.0
420.10040	3.4
435.24454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0968
Annotation	Juglanin
Peak:m/z	Relative Intensity
50.23945	0.1
50.61285	0.1
57.03398	0.2
57.22610	0.1
57.74380	0.1
67.01827	0.5
68.99767	0.3
69.03388	0.1
69.07019	0.1
70.24453	0.1
73.02877	0.4
79.05451	0.3
81.07019	0.1
85.02834	0.2
89.03890	0.1
89.80923	0.1
90.80846	0.1
91.05447	0.2
95.04950	0.2
97.06514	0.1
98.20683	0.2
105.06981	0.2
107.04899	0.4
109.02822	0.2
117.03337	0.3
129.01852	0.2
135.04402	2.1
137.02318	0.5
147.04399	0.1
153.01808	5.4
161.02281	0.5
161.06029	0.1
167.06958	0.4
171.02911	0.8
177.05414	0.2
179.03328	0.2
181.04887	0.4
203.03394	0.2
207.06458	0.2
209.08069	0.2
213.05461	0.2
215.68277	0.1
219.06523	0.2
241.04988	0.6
249.11282	0.2
259.05997	0.2
269.04395	0.6
272.12723	0.1
286.04623	0.2
287.05450	100.0
288.05786	3.2
333.70654	0.1
401.15933	0.2
419.09671	16.6
420.09946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03426	5.1
59.71242	0.6
61.02893	1.6
65.03920	0.6
65.75352	0.5
68.99783	0.6
69.03407	1.0
70.78572	1.3
72.17309	0.5
73.02914	10.2
79.05461	1.3
82.28059	0.5
85.02863	0.8
85.06529	0.8
90.17915	0.5
91.05426	1.0
95.04951	0.5
103.05495	0.7
107.04945	2.7
110.51244	0.6
111.00776	0.8
115.03880	1.0
115.91653	0.6
117.07015	0.5
119.08487	0.7
121.02866	3.3
123.04395	1.6
124.05265	0.7
129.06960	1.8
131.08580	1.1
135.04422	0.6
137.02301	1.1
138.83168	0.5
141.07025	0.6
144.05750	0.9
145.06459	1.2
147.04359	1.4
153.01823	5.8
157.06441	1.2
159.08014	2.1
161.05962	0.7
165.01811	2.0
167.07011	6.8
175.07520	0.5
177.05511	0.9
180.73264	0.6
183.02876	0.8
183.06480	2.3
187.07512	1.8
206.07268	0.8
213.05472	2.1
218.07199	0.6
219.07994	1.7
219.10135	1.6
221.07977	1.0
231.06316	0.8
235.07512	0.7
241.04939	1.0
247.07533	0.7
248.08147	1.0
249.08899	0.7
249.11153	6.8
258.05170	1.3
264.07855	0.8
276.07730	0.7
279.10205	0.9
287.05460	100.0
288.05814	3.0
293.07718	0.6
295.09583	0.7
307.09698	1.2
369.13348	4.4
381.97986	0.7
389.15854	1.2
401.15927	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	419.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
58.13482	0.4
59.87077	0.4
61.02907	1.8
65.03911	0.5
69.03409	0.6
70.01740	1.1
70.02139	0.8
71.01334	0.4
73.02499	0.6
73.02906	12.1
76.22330	0.4
79.05452	0.8
85.02898	0.6
91.05457	0.6
94.36262	0.4
95.04943	0.5
97.88728	0.5
105.03358	0.7
105.06972	0.6
107.04955	2.5
109.73973	0.5
111.00765	1.0
115.03910	0.7
121.02858	3.4
122.31756	0.5
123.04414	0.9
129.07005	0.7
131.08519	1.1
133.02834	0.7
137.02267	1.0
147.04361	1.0
153.01776	5.4
157.06459	0.9
159.08029	1.1
161.05916	0.6
165.01820	2.0
167.07054	4.2
183.02878	0.5
183.06487	1.5
187.07538	1.1
191.07031	0.5
204.07780	0.5
213.05428	1.5
219.08052	0.8
219.10121	1.2
220.08852	0.6
231.06488	0.6
241.04893	1.0
247.09706	0.5
248.08238	0.9
249.11151	3.4
258.05206	1.4
277.08426	0.6
287.05457	100.0
288.05801	1.6
307.09552	0.7
369.13269	2.5
389.15909	0.8
401.15982	3.6
419.05807	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.3
55.09006	8.5
56.96554	12.1
64.76819	8.4
65.58681	8.9
67.05487	35.1
69.03426	9.8
69.07053	28.3
69.43893	64.6
71.04958	14.6
73.33053	8.2
79.05469	23.2
81.07050	62.8
85.02905	13.2
85.06528	34.2
91.05464	26.8
93.07028	50.6
94.33047	8.5
95.04964	8.2
95.08590	100.0
97.02909	12.6
98.21553	17.7
98.97607	10.0
105.07033	65.2
107.08570	44.3
107.27225	9.4
107.55166	7.7
109.10149	54.6
113.36989	9.1
119.08559	35.1
121.10114	84.6
123.11689	20.9
133.10118	40.5
135.11630	21.3
139.11182	16.1
147.11644	45.5
161.13306	14.3
163.14758	9.1
167.07118	11.2
175.14749	12.3
203.17928	99.7
221.18954	34.4
239.19955	13.2
267.10672	21.3
278.76483	8.9
314.54828	9.1
378.35818	10.8
387.51978	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	419.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.8
55.56900	0.6
55.76226	0.5
65.03899	0.7
65.32875	0.6
68.99774	3.0
69.03407	1.1
79.05461	1.6
79.22259	0.6
81.03393	0.9
82.59639	0.5
84.08138	0.8
85.02859	0.7
89.03884	0.6
91.05444	1.1
92.58449	0.7
95.04903	1.1
97.02885	0.9
102.85567	0.6
107.04911	2.6
109.02863	0.6
111.04382	0.9
116.40105	0.6
119.04900	0.9
121.02850	3.5
131.04897	1.2
134.96283	0.8
135.04413	5.2
137.01344	0.9
137.02335	15.8
137.03351	1.0
141.01779	2.6
142.16815	0.6
145.02795	0.8
147.04356	2.7
149.02310	2.2
151.03952	0.6
153.01790	0.8
161.02293	6.3
161.05916	0.6
161.10934	0.6
163.03931	4.3
163.07449	0.6
165.01805	13.9
165.05551	0.8
167.03394	3.3
167.06999	2.8
169.02769	1.0
175.03877	3.3
177.01768	1.5
177.05492	0.7
179.03358	5.0
181.04962	4.5
181.06418	1.0
183.02873	10.0
183.06448	0.6
185.02263	0.6
187.03860	1.4
191.03363	2.7
191.07028	0.8
193.04935	2.1
195.02890	1.6
203.03340	6.1
207.02879	1.5
209.07994	1.1
219.10091	0.8
221.04407	1.9
229.04953	1.5
229.29659	0.7
231.02922	1.7
243.06479	1.2
245.04466	2.4
247.02512	0.7
249.03947	1.4
249.11263	1.0
255.06516	0.8
257.08932	0.7
271.05978	2.0
272.06778	1.1
279.06708	0.8
283.05978	5.2
284.06500	0.7
286.04691	1.8
287.02203	1.2
287.05444	7.0
295.05978	3.9
297.07547	11.9
298.07974	0.7
299.05469	90.8
300.06168	10.5
307.05945	0.8
309.07532	5.2
310.04575	1.2
311.05466	13.0
312.05911	0.7
313.03613	0.9
313.07016	16.1
313.15689	0.6
321.07410	2.8
323.05640	3.4
324.06351	1.1
325.07013	37.5
326.07361	1.7
327.05194	1.1
327.08597	4.7
329.06528	46.0
330.06970	1.6
337.07025	45.0
338.07446	1.1
341.06537	7.7
353.06525	65.1
354.06891	1.7
355.08075	4.0
359.13770	0.7
365.06534	34.3
366.06686	1.2
369.12997	0.9
383.07581	100.0
384.07922	4.1
401.08655	14.1
401.15802	1.4
401.20496	0.9
419.09790	14.1
419.18945	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	418.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
56.96548	0.3
57.03427	0.2
61.02919	0.4
61.60640	0.1
68.01289	0.2
69.03416	0.7
70.06590	0.2
71.32133	0.3
73.02905	2.6
77.03931	0.2
77.76887	0.2
79.05473	1.5
81.03407	0.6
84.04446	0.2
84.08131	0.3
85.02885	1.4
86.59183	0.2
88.19434	0.2
91.05493	0.2
95.04923	0.4
96.04465	0.3
97.02880	0.5
106.06539	100.0
107.06865	0.9
108.08105	0.3
109.02879	0.5
115.03907	0.4
118.06522	2.2
119.04906	0.4
120.08089	0.2
124.07578	1.0
127.03893	0.2
130.06528	0.4
131.86703	0.2
133.04955	0.3
134.06006	0.5
147.04359	0.3
148.07574	0.6
160.07495	0.2
212.62782	0.2
220.09698	0.5
232.09618	0.2
238.10767	0.8
239.02158	0.3
249.97105	0.2
250.10709	0.3
256.11560	0.3
259.54767	0.2
268.11670	0.4
286.12897	0.3
287.05566	0.5
382.06024	0.2
400.15869	0.2
418.16882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.7
57.03423	46.0
67.05512	26.0
69.07030	11.8
71.17513	16.1
71.17838	18.5
81.07045	55.6
81.23625	12.2
83.08605	12.9
85.00558	10.7
85.06544	41.4
86.09738	13.0
91.05460	26.5
93.07019	36.1
95.08607	51.2
105.07018	37.4
107.08602	27.5
108.84192	11.1
109.10159	21.1
113.09631	23.3
113.47025	11.3
117.54324	12.3
119.08578	46.6
121.10137	21.3
123.08045	17.4
123.11695	15.5
129.06949	10.2
131.08514	58.0
133.10126	34.6
135.11662	24.5
143.08539	26.8
145.10103	33.2
147.11665	39.8
155.08559	14.8
157.10100	45.1
159.11690	31.5
169.10083	17.3
171.11655	28.1
175.11172	22.5
183.11703	27.9
184.07301	17.5
185.13177	23.7
187.14812	15.7
187.69769	12.1
197.13185	15.1
209.13188	32.2
211.14732	24.7
227.17842	12.4
239.17860	14.4
241.15704	16.0
251.17838	27.5
269.19028	64.4
291.20938	14.0
363.26703	55.5
381.27692	100.0
392.71371	12.8
399.28867	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1537
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03923	0.5
55.01848	0.5
55.88885	0.3
59.07221	0.3
65.03915	1.3
67.05473	1.0
69.03404	0.4
69.92813	0.9
69.93227	0.8
72.13783	0.3
78.04699	3.0
79.05473	1.7
81.07040	0.7
82.04185	0.6
84.08133	0.8
85.02875	1.2
86.09682	0.5
91.05459	1.3
93.03394	0.4
93.07009	0.5
95.04947	1.4
97.02887	0.3
97.06504	0.8
103.05444	0.9
105.03420	0.3
105.06994	0.4
106.04141	1.3
107.04958	1.8
109.02873	0.6
110.03676	0.5
111.04340	0.3
115.05449	3.6
116.98592	0.3
117.06999	5.8
119.04956	0.4
119.08591	0.6
120.08855	0.4
123.04417	7.1
124.05225	3.0
125.05959	0.5
127.05419	1.3
128.44614	0.3
133.23959	0.3
134.03627	0.6
135.04474	0.3
137.05931	0.5
138.03084	0.5
139.07494	0.4
144.05772	0.4
145.02774	0.4
145.06464	9.5
145.10132	0.4
147.04442	0.3
147.08075	0.7
149.05922	0.3
149.44669	0.3
151.03885	1.4
152.04688	1.7
153.01826	0.5
155.04929	0.4
155.06041	2.1
167.07014	100.0
168.07353	1.3
171.06520	1.3
173.05972	14.4
174.06364	0.5
175.03906	0.5
175.07430	0.5
177.05473	0.7
181.04927	18.7
183.06471	0.3
195.13773	0.6
201.05434	0.5
205.08556	3.5
207.06516	0.4
214.03986	0.3
217.08659	0.6
221.07896	0.3
233.08026	7.9
235.09637	4.0
255.15839	0.5
323.08771	0.5
387.14337	14.3
388.14600	0.4
417.15411	28.2
418.15689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1539
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03918	0.9
53.50625	0.4
55.01854	1.0
63.46589	0.5
65.03934	2.4
67.05474	1.7
69.03404	1.0
69.07029	0.8
70.84639	0.7
70.84991	1.2
76.87631	0.4
78.04685	2.5
79.05490	3.0
81.03394	1.2
81.07022	1.5
82.04185	1.2
84.08131	0.7
85.02874	2.2
91.05482	2.6
93.03359	1.0
93.07013	0.7
95.04936	2.2
95.08563	0.9
97.02872	0.8
97.06501	0.8
103.05467	5.0
105.03354	1.1
105.06999	1.9
105.88654	0.6
106.04134	1.5
107.04932	3.9
109.02842	0.5
109.06487	0.6
110.03637	1.4
111.04382	0.5
115.05446	4.3
117.07014	4.8
118.04154	0.8
119.08566	1.0
121.06510	1.0
123.04429	6.3
124.05211	2.8
125.05952	1.6
127.05420	0.6
131.04903	3.9
131.08525	0.5
133.02832	0.8
133.06470	1.3
137.05971	0.9
138.03093	1.3
139.07469	0.7
143.04916	0.6
144.05685	0.5
145.06450	9.6
147.04362	0.9
147.08022	0.8
148.05157	2.7
151.03876	1.6
152.04675	2.3
155.05983	2.3
161.06030	0.8
163.07500	4.3
167.07022	100.0
168.07356	1.3
171.06528	2.7
173.05969	14.4
175.07423	0.6
177.05440	0.9
179.08438	0.7
181.04939	39.7
182.05244	0.8
187.07530	0.4
191.07005	12.7
193.08615	0.5
195.06483	1.1
201.05417	0.6
205.08565	3.4
207.06506	0.7
209.08173	0.6
217.08664	0.6
219.10126	0.6
221.07973	0.6
233.08034	8.0
235.09647	3.6
237.02754	0.5
317.06387	0.7
317.13376	0.5
325.10776	1.1
381.13458	0.9
387.14310	13.7
399.13904	1.1
417.15448	28.8
417.20801	3.7
418.15726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03931	0.6
55.01854	0.7
55.05503	0.7
56.41156	0.3
56.96542	0.4
57.03423	0.4
65.03933	2.4
66.04755	0.3
67.05492	2.0
69.03410	0.9
69.07053	1.1
69.96320	1.6
78.04708	2.8
79.05491	2.5
81.03396	0.5
81.07050	1.9
81.27639	0.4
82.04192	0.8
82.44432	0.3
83.05028	0.3
85.02893	2.5
85.06520	0.8
91.05464	2.1
93.03416	0.4
93.07042	0.6
95.04948	1.8
95.08582	1.4
97.06535	0.6
98.21372	0.4
100.28078	0.3
103.05461	3.0
105.07008	1.1
106.04163	0.9
107.04961	2.8
107.08614	0.6
108.02113	0.5
108.02942	0.3
109.02871	0.8
109.06554	0.4
109.10168	0.8
110.03644	1.1
111.04440	0.5
115.05446	3.0
117.06999	5.2
118.04128	0.8
119.04932	0.4
119.08603	0.6
121.06509	0.5
121.10110	0.5
123.04420	7.5
123.08073	0.4
123.11671	0.4
124.05197	3.6
125.05978	1.1
127.05396	0.9
131.04926	2.2
131.08574	0.5
132.05574	0.4
133.02808	0.5
133.06511	0.8
133.10106	0.3
134.03581	0.6
135.04352	0.4
135.07985	0.4
137.05963	1.2
137.13223	0.3
138.03027	0.8
142.02638	0.7
144.05663	0.6
145.06465	9.5
145.07620	0.5
146.03665	0.4
146.07080	0.3
147.04355	0.4
147.08017	0.4
148.05171	1.3
149.05922	0.4
149.13284	0.5
151.03912	1.6
152.04689	2.2
153.01842	0.4
153.05429	0.5
155.04918	0.5
155.06020	2.5
159.04337	0.3
159.08080	0.5
161.05972	0.8
163.07504	2.3
163.11057	0.3
165.05385	0.4
167.07022	100.0
168.07373	1.3
171.06522	2.1
173.05966	13.0
175.07536	0.6
177.05495	0.5
179.07114	0.4
181.04936	33.4
182.05273	0.7
191.06984	6.7
191.08548	0.6
193.08655	0.5
195.06509	0.5
201.05441	0.6
205.08577	3.6
219.10046	0.5
221.08092	0.7
233.08055	7.8
235.07477	0.5
235.09602	3.4
245.08356	0.5
255.23215	1.3
331.19205	0.3
357.13248	0.3
381.13327	0.4
387.14346	12.5
388.14685	0.5
399.14191	0.7
416.28619	0.4
417.15384	26.0
417.29065	3.2
418.15805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
55.05493	10.9
57.03419	3.2
67.05495	24.8
69.03411	5.0
69.07047	8.4
69.44727	20.3
70.02944	24.5
70.06578	5.4
71.04976	4.9
74.02425	15.4
79.05488	31.2
81.07041	22.5
82.03344	2.1
83.04952	5.8
83.08622	17.6
85.02881	9.9
88.03985	35.2
91.05468	32.7
93.07034	36.1
95.04956	7.0
95.08603	24.3
97.02882	2.8
97.06503	10.5
97.07057	2.5
100.07568	3.1
103.05422	4.8
105.07024	25.6
107.04958	9.2
107.08574	23.4
109.02880	2.6
109.06498	6.4
109.10158	7.2
111.04470	2.4
111.08065	7.5
113.06000	2.1
116.03436	9.4
117.06990	16.4
119.08553	17.9
121.06492	5.9
121.10131	17.1
123.08035	7.2
125.05978	3.0
129.06984	8.9
130.11859	2.5
131.04918	3.5
131.08545	23.4
133.06509	2.9
133.10118	16.1
134.04483	33.2
134.18745	2.8
135.08043	23.0
135.11644	5.8
137.05980	3.4
137.09593	8.1
139.07553	3.1
141.06955	4.1
143.08542	5.0
145.02821	4.4
145.06494	4.8
145.10112	23.7
147.04340	2.9
147.07993	6.7
147.11684	11.8
148.05104	3.1
149.09608	26.7
151.07544	4.4
151.11154	3.8
153.01851	3.2
153.09132	5.1
155.08499	3.7
157.10049	3.3
159.11684	3.2
161.05930	5.2
161.09621	3.7
163.11156	13.1
165.09091	3.8
167.07033	66.8
169.10077	7.9
173.05959	12.0
173.13248	5.2
174.98024	2.5
177.05478	6.4
181.04903	21.9
185.13174	6.8
187.14771	16.6
191.07028	7.3
192.10149	14.6
201.12714	3.6
201.16376	10.5
207.06493	3.3
211.14757	33.7
217.08496	4.2
218.11845	2.9
219.10188	2.4
219.17366	3.0
229.15836	27.8
233.07925	3.5
244.99622	2.6
247.16882	64.5
265.17969	100.0
266.18155	3.5
283.18988	13.3
334.20035	20.0
352.21024	7.3
355.15750	2.9
380.20673	20.3
386.16974	3.6
387.14282	8.1
398.17395	5.5
398.21799	30.7
416.10391	3.3
416.23618	4.0
417.15286	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	415.393
Annotation	13,14-seco-Stigmasta-9(11),14-dien-3alpha-ol
Peak:m/z	Relative Intensity
51.45216	3.1
55.05501	8.3
57.07065	14.0
67.05505	15.4
69.07059	32.6
71.07554	4.0
71.07893	4.1
71.08630	15.0
79.05484	6.8
81.07053	43.8
83.08618	17.9
85.10188	11.4
91.05469	11.8
93.07017	21.2
95.08603	36.2
97.10142	11.9
105.07030	17.2
107.08572	24.3
109.10141	29.8
111.11712	9.8
119.08540	22.9
121.10125	12.2
123.11658	14.9
133.10130	17.1
135.11681	34.0
137.13237	4.3
137.85719	3.6
145.10104	6.2
147.11690	24.9
149.13246	17.6
151.14792	4.9
159.11682	10.7
161.13237	46.4
163.14781	11.7
168.38272	3.1
175.14799	14.1
187.14809	4.8
189.16333	20.6
201.16354	9.3
203.17949	29.6
215.17969	35.8
217.19479	12.3
229.19519	11.3
243.20985	16.1
257.22571	10.6
261.25824	7.4
287.27283	6.0
301.28925	4.6
315.30307	3.8
328.81198	3.3
355.32907	3.5
381.59683	3.7
397.38275	100.0
415.38925	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	414.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.8
60.37640	6.5
64.67844	6.1
67.05499	6.8
69.03423	7.9
69.44730	10.8
69.45059	62.5
70.06593	16.5
71.61399	6.1
72.16791	5.7
79.05508	10.5
85.02901	11.8
91.05489	17.4
93.07021	6.8
95.08615	7.1
98.21472	12.0
98.97559	10.7
100.11208	8.2
105.07037	16.0
107.08595	15.4
108.08147	11.4
109.06515	6.2
109.10106	9.9
113.25407	6.7
116.98607	13.0
119.08590	9.6
121.06415	13.2
121.10148	18.3
122.09633	7.1
133.10095	56.9
135.11629	7.0
137.05997	20.2
137.09587	25.9
149.11996	7.7
159.11720	7.6
160.11163	6.1
164.14330	12.1
173.13234	6.4
182.66835	6.9
191.14316	23.8
206.10181	6.3
210.15062	9.9
216.17509	19.3
234.18547	100.0
385.07407	37.0
414.21167	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	415.102
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.03933	0.2
55.01877	1.0
57.03402	0.7
61.02889	0.3
65.01801	0.2
65.03919	0.2
67.05478	0.4
68.99767	0.9
69.03397	0.4
69.35114	2.0
71.01315	0.2
75.44559	0.2
79.05437	0.2
81.03378	0.8
85.02899	1.5
91.05470	1.4
95.04929	0.4
97.02898	1.0
103.05397	0.3
105.03374	0.3
107.04913	0.6
109.02859	0.9
119.04944	3.4
120.79918	0.2
121.02859	7.4
121.03806	0.4
122.03157	0.2
123.00817	0.3
123.04366	0.2
125.23335	0.2
131.04895	0.5
135.04370	0.7
141.01807	1.9
145.02826	3.0
147.04395	0.5
149.02322	0.5
153.01768	0.5
155.22682	0.2
159.04324	0.5
163.03894	4.8
165.01831	13.7
166.02142	0.3
167.03326	0.6
171.04356	0.3
173.02344	0.3
175.03879	0.5
177.01726	0.4
177.05428	0.6
179.03348	0.5
179.08405	0.2
181.04961	2.0
183.01321	0.4
183.02876	7.4
187.03854	2.2
189.01790	0.8
190.02554	0.3
191.03397	2.5
195.02693	0.2
199.03876	0.2
203.03365	0.6
205.05003	1.5
207.02829	0.5
209.00740	0.2
209.04378	0.6
212.08087	0.2
215.03337	0.9
221.04208	0.3
227.06931	0.3
229.05008	0.7
231.02843	0.3
233.04497	1.1
239.06975	0.4
242.05748	0.6
243.02850	0.9
249.03780	0.4
253.08472	0.4
255.06444	0.6
261.03909	1.3
263.07028	0.3
267.06476	3.3
269.04269	0.3
270.05145	1.5
271.06024	6.7
272.06345	0.2
273.03873	0.4
277.08398	0.4
279.06479	2.4
280.07138	0.3
281.04886	0.5
281.08075	11.5
282.08389	0.6
283.05991	100.0
284.06409	4.0
289.08560	0.4
291.06564	0.4
293.08017	1.0
294.05167	0.9
295.05981	7.7
295.09583	2.7
296.06357	0.3
297.03934	0.8
297.07523	3.2
305.08093	3.2
307.05988	2.3
308.06799	2.5
309.04089	1.9
309.07516	31.8
310.07773	1.2
311.05624	1.1
311.08701	0.3
313.07083	3.7
314.07324	0.2
320.06647	0.4
321.07568	4.1
322.08075	0.3
323.05701	0.8
323.09097	14.9
324.09482	0.7
325.07004	0.5
333.07547	4.7
334.07986	0.3
335.05463	0.9
337.07031	46.9
338.07452	1.4
349.07043	12.6
350.07382	0.4
351.08588	3.2
355.08185	0.4
361.07040	10.6
362.07208	0.4
367.08099	19.0
368.08194	0.4
379.08099	19.7
380.08426	0.8
391.97772	1.1
393.01291	0.3
397.09174	20.0
398.09448	0.6
405.95685	0.6
406.95618	0.3
409.98801	1.3
410.98273	0.4
411.03119	0.3
414.99155	0.8
415.10211	13.3
415.19394	0.7
416.10611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.3
57.03441	24.2
61.02927	18.2
69.03418	27.1
71.59316	5.0
73.02910	100.0
73.40430	3.3
79.18866	2.7
81.03394	8.5
84.08167	3.7
84.75945	2.9
85.02898	78.9
86.09655	3.0
87.04457	3.1
91.03945	4.5
96.04499	2.8
97.02882	62.7
103.03966	2.7
105.63155	2.7
109.02856	6.8
112.11175	4.5
115.03920	37.8
127.03905	29.2
133.04950	36.1
137.66216	2.5
144.06511	3.8
144.72169	3.1
145.02888	4.6
145.04958	35.9
150.07684	4.2
162.07596	3.9
163.05998	11.9
175.03896	3.2
177.05489	4.7
178.51915	2.4
180.08737	6.8
207.06516	3.7
241.07175	2.7
243.87131	2.8
259.08139	8.8
335.44095	3.3
343.45337	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	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39210	0.7
53.03928	1.1
55.01868	7.6
55.05484	1.4
56.71767	0.8
57.03436	15.7
59.04982	0.8
61.02924	14.2
61.54203	0.9
69.03426	29.0
70.06563	1.3
70.85171	0.9
70.85522	2.1
71.01342	3.4
71.04974	2.1
73.02913	66.0
81.03410	5.4
85.02899	100.0
86.03226	1.0
87.04484	4.6
87.04883	0.8
91.03941	5.2
91.04427	1.1
91.05463	0.9
96.04475	1.0
97.02886	45.5
99.04461	4.9
103.03915	3.1
107.04919	1.3
109.02863	7.0
111.04421	0.9
115.03152	1.5
115.03922	22.2
117.16169	0.8
120.08133	1.0
121.06510	1.1
127.03911	32.5
133.04956	29.7
133.05963	1.5
137.05917	0.9
145.04955	45.9
147.04349	1.4
150.07599	1.5
153.01753	1.3
157.04926	0.9
163.06013	19.7
208.06897	0.9
217.06990	0.9
223.05980	2.9
241.07080	5.4
259.08194	6.2
265.16522	2.0
295.10022	1.0
299.05472	2.0
353.10028	1.1
414.17865	1.6
415.23233	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	413.3777
Annotation	porifersta-8,25(27)-dienol
Peak:m/z	Relative Intensity
55.05515	12.4
57.07071	16.5
59.88526	1.4
65.03933	1.9
66.52155	1.5
67.05503	15.4
69.03419	2.7
69.07069	31.9
70.68365	5.1
71.08636	13.5
79.05502	16.8
81.07057	48.0
83.08623	15.0
85.10165	7.6
91.05480	16.4
92.05821	1.7
93.07042	32.3
95.04952	4.0
95.08605	41.7
97.06525	2.3
97.10167	11.7
99.83646	1.9
105.07028	24.8
106.07391	2.0
107.08601	30.2
109.10162	25.7
111.11714	5.9
117.07030	4.6
119.08587	17.4
121.06477	1.7
121.10143	26.1
123.08080	5.2
123.11688	12.3
125.13270	2.6
129.07056	2.4
131.08597	9.5
133.10124	20.0
135.11687	22.3
137.13254	4.8
143.08606	2.6
145.10123	15.0
147.11676	16.6
149.13266	11.9
151.11108	2.5
151.14854	3.5
157.10139	5.1
159.11690	17.9
161.13261	18.6
163.14830	5.0
163.28029	2.0
169.10004	1.9
171.11646	5.3
173.13242	9.4
175.14844	11.8
177.16399	2.9
185.13290	4.7
187.14906	11.4
189.16376	3.4
199.14896	5.0
199.60405	1.5
201.16397	6.2
203.17972	6.0
213.16405	10.0
213.89189	1.8
215.18036	3.9
227.17923	5.1
229.19498	2.3
231.17413	2.0
233.22694	5.4
241.19527	6.2
243.20950	1.9
255.21098	11.7
257.22617	2.4
259.20648	3.3
261.25732	2.4
269.22803	2.0
273.22186	6.4
283.24222	5.5
287.27304	3.7
289.28751	1.8
297.25735	4.7
313.28943	2.1
395.36691	35.6
395.41254	2.9
396.36951	1.6
413.37830	100.0
414.38138	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	413.3775
Annotation	29-Isofucosterol
Peak:m/z	Relative Intensity
51.46490	1.0
53.03940	1.4
53.83597	1.0
55.05505	10.2
55.18353	0.9
56.17123	0.9
57.06825	1.1
57.07075	15.8
57.91049	0.9
67.05500	17.6
69.07063	34.2
71.08633	13.7
71.51147	1.1
77.28301	0.9
79.05483	17.2
81.06570	2.1
81.07050	41.1
83.04971	1.7
83.08613	14.8
85.10182	8.3
91.05473	12.3
93.07034	30.5
95.04966	5.5
95.08598	37.5
97.06521	2.9
97.10159	9.7
100.35118	0.9
105.07024	25.1
107.08585	33.4
109.06478	2.6
109.10151	25.7
111.11697	7.1
117.07015	3.9
119.07767	1.8
119.08563	18.4
121.10136	23.7
123.08045	6.5
123.11693	16.0
125.09605	1.4
125.13266	2.2
129.06989	1.7
131.08521	9.6
133.10121	20.1
135.11679	16.5
136.30406	0.8
137.13258	3.8
137.68340	0.8
143.08530	3.7
145.10115	11.6
147.10559	0.6
147.11671	17.2
149.13258	8.6
151.11095	1.7
151.14748	1.9
157.10115	5.1
159.11685	17.0
161.13246	16.6
163.14795	7.0
165.09567	1.0
165.16475	1.4
171.11694	5.0
173.13226	8.7
175.14780	8.7
177.12740	2.2
177.16429	2.1
179.14227	1.0
185.13255	4.2
186.94579	1.1
187.14824	12.1
189.16402	3.1
191.14424	1.1
199.14888	5.4
201.16347	6.8
203.17987	5.8
205.15840	1.4
207.21158	1.2
213.16389	9.4
215.17975	4.0
219.21075	1.5
227.18002	4.9
229.19453	2.2
231.17393	1.4
231.21030	1.4
233.22601	4.7
241.19502	4.9
245.23245	1.0
247.24165	1.8
254.20349	1.1
255.21051	11.8
257.22687	2.6
261.25830	2.9
269.22687	1.2
271.24072	1.5
273.22180	6.8
273.25284	1.0
283.24161	4.8
285.25787	1.4
287.27335	2.7
289.29041	2.1
297.25793	2.9
301.25235	3.3
311.27106	1.2
325.28760	1.5
350.28186	1.1
362.68106	1.0
395.36713	28.4
396.37286	2.4
413.37756	100.0
414.38181	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	413.3772
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
55.05503	19.0
57.07064	24.2
67.05482	20.3
69.03406	5.2
69.07050	25.5
69.33572	31.8
71.04963	9.2
71.08630	17.6
79.05464	13.7
81.03399	4.1
81.07038	35.9
83.08610	19.7
85.06509	9.1
85.10158	13.4
85.42249	2.7
91.05448	16.2
92.29437	2.8
93.07018	29.2
95.04955	6.3
95.08590	35.4
97.06528	4.6
97.10132	9.0
104.14138	2.9
105.07016	27.7
107.08597	24.1
109.10146	18.3
110.52901	2.9
111.08063	5.3
117.06976	7.0
119.08559	21.3
121.10141	18.5
122.10471	3.0
123.08012	3.5
123.11653	7.3
125.09602	3.3
126.79337	3.4
129.06990	4.2
131.08572	20.3
133.10104	33.9
135.11632	10.6
137.13213	3.1
143.08508	6.5
145.10097	27.1
147.11668	16.7
149.13228	8.5
151.11119	5.0
157.10100	12.1
159.11665	30.7
161.13202	11.1
163.14822	7.4
171.11629	9.7
173.13252	21.3
175.14815	4.7
177.12762	14.0
177.16335	5.0
185.13234	11.0
186.13878	3.4
187.14769	7.9
195.13737	3.6
199.14742	9.1
201.16399	5.0
213.16348	43.4
215.17810	3.5
217.15913	4.1
227.17865	10.7
231.17413	7.1
239.18002	4.5
241.19429	6.2
254.20226	6.5
255.20930	10.4
257.18896	5.3
261.18851	2.9
263.98489	3.2
272.21384	9.7
273.22171	15.4
318.88788	3.5
395.36761	34.6
412.89935	3.5
413.21484	5.2
413.32730	5.9
413.37689	100.0
414.37985	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.214
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.83533	0.3
53.51661	0.3
55.90314	0.3
56.96550	0.4
67.05475	0.4
69.03401	0.9
69.07020	0.4
69.54713	1.2
69.55122	1.0
69.70496	0.3
81.03369	0.5
81.07030	0.6
85.02883	0.9
86.09691	0.4
91.05469	0.8
93.07042	0.6
95.04931	0.5
97.02856	0.7
98.21535	0.5
98.97587	0.4
99.04442	0.3
100.56005	0.3
105.07013	0.7
107.04939	0.5
107.08602	0.4
109.02855	0.4
109.10164	0.3
112.11258	0.4
113.02381	0.4
116.98572	0.5
119.08571	0.5
121.06499	0.5
121.10125	0.5
127.03881	0.3
131.08598	0.4
133.10161	0.4
137.09592	0.5
145.02751	0.3
145.10184	0.4
149.05957	0.4
153.01814	0.4
161.09598	0.3
177.05440	0.4
203.03592	0.3
203.05141	1.5
206.69783	0.3
217.74881	0.3
233.15224	0.8
251.12727	0.9
251.16248	0.7
255.09250	0.3
299.05292	0.3
339.12219	0.4
390.97498	1.1
395.20346	1.9
404.95120	0.4
408.98511	1.4
413.21436	100.0
413.99109	0.6
414.21671	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	413.3773
Annotation	29-Isofucosterol
Peak:m/z	Relative Intensity
53.03925	2.3
55.05508	17.6
57.07074	22.1
59.18564	1.7
67.05503	21.6
69.06719	3.0
69.07063	39.3
71.08630	14.1
79.05479	13.8
81.07049	51.1
83.08618	20.6
83.60004	1.6
85.10165	10.6
88.78011	1.6
91.05474	21.1
93.06558	1.8
93.07047	23.8
95.08595	52.3
97.10159	12.4
105.06305	2.0
105.07018	40.4
105.07676	3.3
107.08602	25.0
109.10145	27.1
110.52708	1.6
111.11726	8.7
117.07004	11.8
119.08581	22.8
121.06489	2.0
121.10134	17.0
123.08056	4.0
123.11687	11.2
125.13240	2.2
129.06960	3.5
131.08551	21.9
133.10129	24.7
135.07959	1.6
135.11697	12.4
137.13228	7.0
143.08536	7.0
144.09390	3.1
145.10106	28.6
147.11690	22.8
149.13269	8.8
150.30118	1.6
151.14783	2.8
157.10149	11.7
159.11679	54.4
160.12045	2.3
161.13249	16.2
163.11134	3.0
163.14841	5.4
171.11668	9.2
173.13229	27.9
175.14793	5.8
177.12738	9.1
177.16403	2.0
185.13242	10.3
187.14828	14.8
189.16357	3.1
191.14238	3.4
199.14795	11.2
201.16360	14.7
203.17934	2.4
205.19514	1.7
213.16370	20.6
215.17929	6.4
219.17429	3.8
221.22597	2.3
227.17947	7.6
231.17398	4.6
233.22694	2.4
241.19556	8.9
247.24167	3.3
255.21109	14.8
259.20560	2.4
261.25760	3.1
269.22678	2.1
271.20328	1.9
273.22156	3.0
297.25717	2.1
395.36691	90.6
396.37097	3.2
413.32639	8.0
413.37714	100.0
414.37994	3.8
415.39056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1413
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05034	0.8
64.67808	0.4
69.03431	0.4
70.06587	0.8
70.98958	0.8
72.08147	0.5
74.06084	2.6
85.02879	0.8
86.09692	0.6
102.05523	1.2
108.30463	0.4
109.02827	0.5
119.03527	2.5
120.06573	8.8
125.90447	0.5
136.06172	100.0
137.04556	2.3
147.04372	0.4
153.01811	0.6
162.04100	65.6
167.04799	0.4
174.64552	0.4
256.99625	0.4
268.10327	1.1
281.09912	50.0
282.10175	1.3
294.08447	0.5
303.01062	0.5
335.04385	0.4
349.82556	0.4
350.91016	0.4
353.05521	0.6
397.49475	0.4
413.13779	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	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.01856	0.5
55.05500	1.0
55.20283	0.4
59.80441	0.4
67.05499	0.8
69.03421	1.4
70.06572	1.0
71.21548	1.2
72.08166	0.6
74.30047	0.4
79.05478	0.8
81.03379	0.7
81.07059	0.7
83.04969	0.8
84.08133	0.8
85.02914	2.2
85.06536	0.5
91.05469	1.5
93.07039	0.8
95.04957	0.9
95.08612	0.6
97.02897	1.0
98.97629	0.4
100.11248	1.0
105.07050	0.7
107.04960	0.9
107.08607	0.7
109.02884	0.6
109.06492	0.5
109.10152	0.5
111.04435	0.4
111.08067	0.5
112.11224	0.8
119.04936	0.4
119.08569	0.8
120.08117	0.8
121.06519	1.0
121.08390	0.5
121.10127	0.6
129.13870	0.9
133.10130	0.6
135.11681	0.4
137.05963	1.3
137.09596	0.6
145.02789	0.6
145.06526	0.6
145.10159	0.4
147.04370	1.1
153.01857	1.0
167.07103	1.1
175.03955	0.5
175.07472	0.6
177.05516	0.9
177.09149	0.4
182.15382	1.2
189.09073	0.6
203.03525	0.8
203.05299	2.0
207.06430	0.5
210.14886	1.1
215.94456	0.5
233.15138	4.0
251.12737	0.8
251.16223	2.8
261.16373	0.5
262.06158	0.5
263.07114	0.6
264.07709	0.6
268.21323	0.5
275.07260	0.6
275.10724	0.5
276.07816	0.8
277.08539	1.3
292.07162	0.5
293.04660	0.6
293.07904	0.7
303.10928	0.4
308.06601	0.6
309.07700	1.0
311.05344	0.5
321.03848	0.6
323.09244	0.8
324.09869	1.8
337.10736	0.9
339.12262	7.1
350.11560	0.5
365.13611	1.1
367.11719	1.3
382.14081	3.6
383.14813	1.8
395.04181	0.7
413.05093	1.5
413.16544	6.9
413.21442	100.0
414.21780	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	411.3621
Annotation	4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol
Peak:m/z	Relative Intensity
51.96849	1.5
55.05518	7.7
56.88236	1.5
57.07065	4.8
67.05496	11.5
69.06767	1.8
69.07065	17.0
71.08627	8.7
71.59536	2.3
79.05505	11.1
81.07061	27.0
83.08616	8.9
85.10168	4.4
91.05475	11.6
93.07043	17.5
95.04967	4.5
95.08611	26.3
97.10144	5.0
103.05392	2.0
105.07026	24.1
107.08588	26.7
109.10158	20.8
111.11701	1.8
117.07043	3.6
119.08584	14.5
121.10146	14.4
123.08096	8.9
123.11671	9.8
125.09613	2.0
129.06975	2.1
131.08543	9.7
133.10133	13.8
135.11676	11.7
137.13251	4.1
143.08534	4.3
145.10109	11.5
147.11685	17.1
149.13287	9.5
151.11244	2.0
155.14323	3.3
157.10124	5.4
159.11708	13.9
161.13257	16.3
163.14757	10.2
168.38669	1.5
171.11720	5.4
173.13290	6.3
175.11282	1.9
175.14836	4.7
177.16454	3.7
185.13235	3.6
187.14801	7.7
189.16487	2.9
191.17978	2.9
199.14803	5.8
201.16418	7.9
203.17998	5.6
205.19576	1.9
213.16423	7.5
215.17970	5.6
227.17926	4.1
229.19511	2.2
231.17499	3.1
231.21068	4.0
253.19566	2.9
255.21053	2.1
267.21057	2.3
271.20602	2.4
273.25909	1.8
278.31927	1.7
295.24115	3.4
309.25861	12.4
323.27261	3.8
327.26764	12.5
341.28580	3.3
393.35202	31.2
411.36240	100.0
412.36560	2.1
431.56064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34328	1.4
50.56819	1.4
55.01862	10.0
55.05492	4.2
56.43254	1.5
57.03429	19.0
59.04993	3.3
61.02923	19.3
67.05463	2.6
69.03419	35.1
70.06556	1.9
71.01337	4.5
71.04970	6.1
71.32210	2.8
73.02906	79.4
81.03397	9.0
81.07022	1.7
83.08598	4.8
84.08122	3.0
85.02891	100.0
86.44150	1.3
87.04450	6.7
89.03864	1.7
91.03940	4.3
91.05454	1.9
95.04948	1.7
97.02874	54.4
98.03195	1.6
99.04449	4.5
103.03964	3.7
109.02854	7.8
111.08077	4.2
112.11211	4.2
115.03908	29.3
117.03367	1.8
127.03899	29.2
129.13821	2.8
133.04942	33.2
135.04335	1.8
137.06076	1.6
137.09724	1.5
139.07536	3.0
141.59978	1.8
145.02821	2.6
145.04939	51.6
150.07593	3.5
163.05978	16.3
166.77794	1.5
175.03841	4.3
177.05457	4.9
179.10596	1.8
184.07329	2.7
193.04890	2.1
197.11732	2.6
207.06450	2.7
207.45003	1.7
215.12685	2.4
223.06000	5.8
241.07027	6.7
245.13832	2.4
259.07965	8.2
263.14841	3.7
277.09210	2.9
373.73880	1.7
412.20160	15.9
413.17648	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	413.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
54.92447	0.2
55.01875	1.7
57.03431	1.2
61.00243	0.2
65.03905	0.3
67.05484	0.3
67.85740	0.2
68.47904	0.3
68.99772	1.6
69.03387	0.8
70.06562	0.6
72.08125	0.4
72.69277	0.2
79.05450	0.7
81.03407	1.6
81.07057	0.2
84.08135	1.0
85.02911	2.2
89.03896	0.4
91.05484	2.4
92.05802	0.3
92.73750	0.2
92.99737	0.4
93.03352	0.3
95.04919	0.7
97.02854	0.9
98.21458	0.4
99.00795	0.4
103.05453	0.3
105.03349	0.4
107.04894	0.8
109.02869	1.6
109.06511	0.3
111.04374	0.4
112.11237	1.7
115.05419	0.3
117.03333	0.9
119.04942	2.1
119.85639	0.2
120.05216	0.2
121.02864	1.8
121.06516	0.4
127.03868	0.5
129.13867	1.1
130.14206	0.3
131.04881	1.1
133.02788	0.4
134.03589	0.3
135.03514	0.3
135.04402	3.6
137.02327	8.7
137.03369	0.6
140.16698	0.3
141.01817	3.5
145.02815	1.5
147.04413	2.0
149.02412	0.4
149.05946	0.3
151.03853	0.3
153.01805	1.2
159.04364	0.8
161.02330	3.7
161.05882	0.2
163.00230	0.4
163.03900	1.8
165.01823	14.5
167.03387	1.4
167.06979	0.6
169.02800	0.4
171.04379	0.3
173.02359	0.5
175.03909	1.7
176.04399	0.3
177.01834	0.6
177.05467	2.7
179.03363	2.1
181.04947	0.7
183.02872	13.3
185.02443	0.3
187.03857	2.7
189.01804	1.1
190.02498	0.4
190.99698	0.4
191.03345	0.9
193.04903	0.4
195.02779	0.3
195.06407	0.4
197.00749	0.5
197.02412	0.2
197.04260	0.2
203.03375	1.6
203.94870	0.2
205.04973	2.5
207.02870	1.2
207.06516	1.6
208.06862	0.4
209.00777	0.6
215.03371	0.8
219.07980	0.3
221.04373	1.2
223.05972	0.3
229.04802	0.5
231.02866	0.6
233.04472	1.1
238.08177	0.2
243.02876	0.6
245.04469	0.4
247.02257	0.2
247.07558	0.3
257.04391	0.3
258.05161	0.3
261.03940	1.6
268.07214	0.3
269.04636	0.2
269.08099	0.4
271.05942	0.8
279.06512	0.3
283.05991	3.7
286.04724	1.6
287.05478	8.5
289.03284	0.6
293.04840	0.2
293.08145	0.7
295.05975	3.7
296.06747	0.3
297.03922	0.7
297.07443	4.0
298.04874	0.2
298.10025	0.3
299.05469	100.0
300.05911	2.5
305.08167	0.4
307.06003	0.4
309.07449	1.7
310.04724	0.3
311.05463	6.7
311.09109	5.7
311.12531	0.4
313.03372	0.9
313.07040	4.5
316.97430	0.5
321.07593	5.3
323.05502	4.4
324.06268	4.5
325.03406	3.4
325.07068	9.5
326.95822	0.3
327.04935	1.6
329.06540	3.3
336.06235	0.5
337.07016	6.7
338.07660	0.3
339.05200	1.3
339.08597	31.4
340.08920	0.5
341.06473	0.6
349.07013	6.3
349.11322	0.3
351.04919	1.2
351.08731	0.3
353.06577	4.8
365.06525	25.8
366.06870	0.6
367.08075	9.4
367.12711	0.5
372.96628	0.4
376.96194	0.3
377.06522	11.6
383.07565	7.4
390.97467	3.3
395.07578	26.1
396.07938	0.9
404.95499	1.7
407.98785	1.1
408.98523	3.4
413.08640	31.8
413.17737	1.2
413.98883	1.5
414.09045	0.9
432.00229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69463	0.4
57.68982	0.5
57.83122	0.4
59.30289	0.4
69.39821	3.1
69.40237	1.0
74.47218	0.4
83.25462	0.4
91.05476	1.2
93.63329	0.4
98.28896	0.4
112.11239	1.0
119.04897	1.3
129.13844	0.5
134.65173	0.4
142.74208	0.4
147.04408	1.3
175.03917	2.6
185.04219	1.2
207.06534	3.8
223.11716	1.1
241.12917	2.2
249.10979	100.0
250.11276	1.3
252.38326	0.5
264.12292	0.5
267.10638	2.3
285.11832	2.5
411.16119	46.6
412.16190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3615
Annotation	5-Dehydroavenasterol
Peak:m/z	Relative Intensity
50.79685	0.9
53.03941	1.5
53.18745	0.9
55.05505	36.8
56.93228	1.1
57.07069	16.0
61.61731	0.9
67.05490	7.8
69.07061	39.0
70.76491	2.6
70.76852	1.2
71.08627	8.7
79.05486	6.5
81.07040	26.7
83.08608	100.0
85.10171	2.0
91.05470	5.2
93.07030	10.1
95.04964	1.4
95.08590	13.1
97.10160	13.1
105.07006	12.7
105.07676	1.2
107.08569	10.3
109.06487	1.2
109.10138	9.7
117.06987	2.3
119.08579	7.8
121.10129	6.0
123.08051	1.1
123.11716	5.1
129.06964	1.9
131.08531	9.7
133.10100	10.1
134.33273	0.9
135.11642	4.9
137.13231	2.0
139.14778	3.5
143.08510	4.7
145.10101	10.5
147.11662	7.0
149.13225	4.5
149.91231	1.0
155.08534	2.0
157.10123	5.1
157.45914	1.0
159.11662	13.9
161.13263	6.0
163.14821	2.4
169.10172	2.1
171.11661	4.8
173.13202	5.8
175.11162	1.7
175.14836	3.4
177.12749	2.7
183.11604	2.4
185.13191	6.4
187.14761	6.0
195.11661	1.0
197.13213	2.9
199.14708	4.8
201.16415	6.6
211.14822	3.2
213.16373	5.9
215.17894	1.9
217.15817	1.5
225.16446	3.1
227.18021	2.9
231.17400	2.7
239.17834	2.4
253.19556	8.2
255.21077	6.3
267.21066	1.3
271.20569	3.6
273.22083	2.4
281.22720	1.6
295.24225	7.6
299.23679	1.5
309.25754	6.6
313.25177	2.8
315.26883	1.5
319.20554	1.1
327.26730	2.4
393.35150	29.9
394.35904	1.9
411.36169	68.3
412.36612	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	411.3615
Annotation	5-Dehydroavenasterol
Peak:m/z	Relative Intensity
54.38690	5.4
55.05507	27.7
57.07062	24.1
67.05497	35.6
69.07072	35.5
69.95969	27.6
71.08612	22.0
76.71175	5.7
79.05489	25.5
81.07044	63.7
83.04984	10.9
83.08617	35.1
85.10180	13.9
91.05470	18.8
92.15355	5.6
93.07050	28.4
95.08600	56.8
97.10151	14.8
100.18507	6.2
105.07011	28.6
107.04980	6.5
107.08564	37.5
109.06535	7.4
109.10139	23.1
111.11736	7.3
117.07013	10.2
119.08570	23.2
121.10143	23.9
123.11656	15.5
129.07039	10.3
131.08566	18.1
133.10117	22.2
135.11658	8.4
137.13301	9.8
140.29651	6.0
143.08551	16.9
145.10136	32.7
147.11673	18.0
149.13301	12.3
155.08537	11.1
155.36526	6.2
157.10112	56.0
159.11652	28.6
159.26770	6.4
161.13232	16.9
169.10042	8.0
171.11636	12.7
173.13246	12.8
175.11160	9.3
175.14935	7.8
183.11668	8.9
187.14912	7.9
189.12660	6.3
197.13283	9.8
199.14766	6.5
211.14925	9.3
212.61848	5.5
213.16267	7.7
239.17860	10.5
253.19507	9.6
273.25824	9.1
295.24539	7.8
303.30377	6.8
327.30515	7.7
345.31409	9.0
393.35254	68.4
411.36154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51461	0.4
54.44257	0.4
56.05017	0.4
58.06594	10.2
65.03926	0.8
69.33203	3.8
69.33484	0.3
70.06577	1.2
72.08147	7.1
72.72736	0.4
73.82912	0.4
84.08131	37.1
85.08412	0.4
91.05468	17.9
98.09673	1.7
98.21217	1.7
105.03369	0.4
112.11227	100.0
113.11566	1.4
119.04926	34.4
119.57096	0.4
120.05286	0.4
124.07632	0.5
129.13860	81.9
130.14218	0.7
132.02031	1.0
136.05188	0.5
145.02873	0.4
147.04390	31.6
148.04716	0.5
149.02328	0.6
155.11777	3.0
157.03961	2.6
164.04672	0.4
167.07045	0.9
169.13379	0.6
174.05466	0.8
175.03882	55.2
176.04294	1.1
177.05493	0.5
179.06972	2.5
185.04181	1.6
203.22285	7.4
206.08118	0.6
207.06497	57.6
208.06839	1.0
214.19124	1.2
247.05676	1.1
261.10773	0.6
262.11032	1.2
263.13840	1.1
264.12265	23.0
265.12567	0.7
335.19601	31.8
336.19949	1.2
352.21634	0.4
391.26871	0.8
392.25275	2.4
409.11020	2.3
409.28043	86.9
410.28427	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	409.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
58.06592	8.9
60.50686	0.3
65.03927	0.8
69.26174	0.2
70.06583	1.1
70.99990	0.3
71.00328	0.5
72.08144	6.3
75.09242	0.3
77.03931	0.3
84.08129	30.3
89.03886	0.5
91.05469	16.1
92.05777	0.3
92.42027	0.3
98.09678	0.9
99.02586	0.3
100.07603	0.4
105.03398	0.6
110.09688	0.3
112.11224	96.9
113.07122	0.7
113.11563	1.0
117.45759	0.3
118.04130	0.4
119.04922	32.8
120.05303	0.4
127.12283	0.3
129.03352	0.5
129.13857	63.1
130.14185	1.2
132.02075	0.9
133.02794	0.3
136.05135	0.3
145.02820	0.6
147.04384	30.2
148.04706	0.7
149.02306	0.7
155.11766	1.8
157.03926	2.2
164.04662	0.7
167.06960	0.6
169.13347	0.4
174.05521	0.5
175.03882	56.1
176.04178	1.4
177.05438	0.4
179.06966	2.2
181.32846	0.3
203.22279	9.8
203.24121	0.6
206.08130	0.6
207.06491	50.9
208.06911	1.3
214.19115	0.8
247.05615	0.3
262.10788	0.3
263.13837	0.7
264.12268	14.0
265.12253	0.5
278.13806	0.3
281.14853	0.3
335.19604	12.0
352.22214	0.5
384.80582	0.3
391.27032	0.7
392.25482	3.2
393.25342	0.4
409.28033	100.0
410.28342	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	411.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14578	1.0
55.05502	3.0
56.05973	0.9
56.96556	0.9
57.13270	0.8
59.44687	0.8
67.05505	1.2
69.03417	1.7
69.58105	1.9
69.58504	3.4
70.06575	3.4
72.08168	0.8
79.05485	1.1
81.03398	1.1
81.07054	2.8
83.04955	0.9
83.08606	1.3
83.31498	0.8
84.08120	1.7
85.02888	2.5
89.75832	0.8
91.05461	5.0
93.07034	1.5
95.08575	1.1
97.02855	1.6
100.11237	3.8
105.07023	1.6
107.08588	1.4
109.02862	1.0
112.11237	2.3
116.98618	0.9
119.04940	4.0
119.08581	1.1
120.08075	1.5
121.10092	1.2
129.13901	1.7
129.41487	0.8
130.04944	1.2
130.06564	1.1
133.10129	1.3
134.04503	1.0
135.07959	0.9
143.11786	1.1
147.04321	3.9
148.04695	1.0
153.01814	1.8
167.70294	0.8
175.03911	6.4
175.11189	0.8
176.04227	1.3
177.05487	1.2
185.04247	1.9
193.15915	0.8
207.06494	8.2
223.11861	1.3
241.12849	2.5
249.10954	100.0
254.83188	1.0
264.12274	1.7
267.10870	3.5
285.11844	3.1
335.19806	1.3
411.16071	34.3
411.20059	8.0
411.27823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	1.7
53.03931	3.8
55.01863	2.3
55.05510	19.4
56.03500	1.2
57.07068	7.6
59.04977	3.0
61.68905	1.2
64.58724	1.4
65.03947	1.7
66.99660	1.3
67.05499	15.6
69.03413	6.5
69.07053	9.8
70.67899	2.4
70.68269	3.2
71.08617	1.3
79.05491	20.1
81.03400	1.5
81.07047	29.4
83.04983	3.3
83.08620	3.5
85.06548	2.4
86.09670	1.5
89.05995	1.9
91.05467	36.4
93.07034	42.1
95.04961	51.7
95.08598	25.0
97.06522	6.2
103.05437	3.5
104.06235	1.6
105.07021	100.0
106.07307	2.3
107.08585	21.5
109.06501	14.2
109.10154	10.2
111.08050	2.1
115.05468	3.4
117.06999	12.3
119.04940	2.8
119.08566	63.2
121.06509	15.2
121.10135	14.0
123.08052	14.7
123.11681	2.1
128.06198	4.1
129.07004	7.5
130.07784	3.3
131.08543	17.6
133.06519	6.3
133.10123	19.3
135.08032	14.1
135.11687	5.6
137.05959	2.1
137.09599	8.6
141.06975	4.5
142.07739	11.5
143.08559	13.9
144.09261	3.0
145.06442	1.8
145.10103	28.1
146.07306	1.3
146.10860	2.4
147.08040	15.4
147.11674	48.3
149.09619	11.7
151.07524	18.3
153.06921	1.6
153.09048	1.9
154.07724	2.5
155.08507	7.0
156.09294	4.2
157.10130	20.0
159.08054	5.8
159.11673	15.0
160.08868	1.5
161.09567	6.6
161.13235	5.1
161.86894	1.3
163.11180	5.3
165.09096	29.6
167.08569	2.8
168.09323	4.2
169.06129	1.5
169.10104	9.1
171.11664	8.9
173.09595	7.4
173.13210	8.6
175.11165	29.3
175.14812	1.9
177.09084	4.3
178.09796	2.4
179.08437	2.2
181.10103	6.1
183.11659	8.9
185.09537	1.8
185.13251	4.1
187.11137	2.3
187.14848	3.5
189.12744	5.9
191.14236	3.1
193.10179	2.3
193.12216	1.9
195.11609	3.8
196.12474	2.4
197.13216	2.9
199.11246	4.1
199.14806	3.1
201.12712	10.5
201.16377	2.3
203.14334	11.9
207.11903	2.2
207.13802	8.5
209.13310	3.2
209.15323	3.2
211.14792	5.5
213.12701	2.5
215.14311	3.0
216.15045	2.5
219.13785	5.3
221.15340	59.3
222.15752	2.9
223.14941	2.1
227.17912	1.5
229.15872	4.4
231.13696	3.0
233.15359	3.7
234.16095	19.7
251.14496	1.4
253.15894	1.8
286.19315	3.7
287.19946	6.6
300.20782	5.3
329.20981	3.8
335.20041	1.7
353.20978	1.7
391.26080	4.2
391.33752	1.6
409.18207	1.4
409.27313	38.4
409.34460	5.5
428.19476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.17553	2.1
51.74059	2.3
53.03937	5.4
55.05511	16.2
57.07076	13.3
59.04991	4.1
65.03933	4.0
67.05496	21.1
67.17577	2.4
69.03418	7.4
69.07066	13.0
71.04961	2.2
71.32983	2.6
79.05486	22.9
81.03410	3.6
81.07046	38.4
83.04964	6.1
83.08606	4.8
85.06527	4.5
89.06007	5.9
91.05470	42.7
91.89671	2.1
93.07032	51.7
95.04961	63.4
95.08600	47.1
97.06518	11.5
97.10130	2.6
103.05453	3.5
105.07020	100.0
107.08581	31.1
109.06539	11.8
109.10134	13.1
111.08083	3.5
117.07011	15.6
119.08563	70.4
121.06493	17.8
121.10123	17.2
123.08060	24.6
123.11651	4.7
128.06255	3.8
129.06975	9.7
130.07773	7.7
131.08568	27.8
133.06470	6.2
133.10120	27.3
135.08064	16.2
135.11681	6.9
137.05977	2.9
137.09595	9.0
141.06989	5.1
142.07771	17.0
143.08565	23.8
144.09303	3.9
145.06503	3.5
145.10106	40.9
147.08025	20.9
147.11682	31.4
149.09579	12.1
151.07510	29.7
153.06982	2.2
154.07693	2.5
155.08546	10.0
156.09253	5.2
157.10132	22.6
158.10577	2.0
159.08037	7.0
159.11679	21.0
161.09570	10.8
161.13225	7.5
163.11130	5.2
164.90649	2.1
165.09091	33.7
165.12837	2.6
167.08586	3.6
168.09332	8.2
169.10109	16.5
170.10901	2.8
171.11646	13.4
173.09612	4.9
173.13272	10.7
175.11159	22.7
177.09113	5.5
179.08627	2.6
180.09383	2.4
181.10028	5.1
181.12241	3.3
183.11639	17.8
185.13266	6.3
187.11217	6.3
187.14793	3.9
189.12726	9.3
193.10181	4.6
194.10916	3.5
195.11710	4.2
197.13269	5.4
199.11176	4.7
199.14880	2.9
201.12762	10.5
201.16345	5.0
203.14270	20.7
207.11946	2.9
207.13680	10.5
209.13210	5.4
209.15173	4.4
211.14810	12.8
215.14317	4.3
216.15225	3.1
219.13686	3.3
221.13399	3.7
221.15350	68.8
222.15842	3.1
223.14815	2.7
225.16327	3.8
227.14259	2.3
229.15858	6.0
233.15327	4.3
234.16109	11.6
235.14830	2.9
239.14445	2.6
255.13620	2.3
275.55685	2.3
286.19348	3.9
287.19940	11.1
300.20868	5.3
317.21069	3.2
329.21054	6.1
353.20972	2.3
391.25888	4.7
409.27261	59.6
409.33603	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
57.32829	0.3
70.01662	0.7
70.02061	0.7
77.53896	0.3
79.05451	0.3
81.03383	0.3
81.07022	0.6
84.08134	0.5
85.02874	0.6
88.40207	0.3
91.05450	0.5
93.07029	0.3
106.57776	0.3
110.84852	0.3
112.11233	1.6
119.04920	0.7
129.13846	1.2
147.04362	1.0
147.49292	0.3
153.01805	0.5
158.58948	0.3
175.03888	1.4
185.04214	1.1
207.06505	1.2
247.13048	100.0
248.13365	0.9
264.12311	0.5
409.18307	41.2
409.27905	1.8
410.18570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.8
55.05302	2.2
55.05505	22.7
57.07052	10.8
59.04977	2.6
64.72464	2.3
67.05491	20.5
69.03409	5.5
69.07039	10.5
69.73294	6.9
69.73722	9.4
79.05481	23.8
80.85091	2.4
81.07048	30.6
83.04949	4.7
83.08606	7.5
85.06516	4.2
85.10149	7.8
91.05466	36.4
93.07033	43.9
95.04962	46.1
95.08597	33.1
97.06501	6.6
98.20744	2.9
105.07018	100.0
107.08579	24.4
109.06493	10.7
109.10125	10.8
111.08061	3.2
115.05444	3.5
117.07015	15.1
119.04955	3.3
119.08562	63.8
121.06470	11.8
121.10101	19.8
123.08042	16.4
123.11631	4.6
128.06197	4.8
129.06982	10.2
130.07803	6.0
131.08565	25.2
133.10104	19.5
135.08040	12.9
135.11671	4.6
137.09578	7.6
137.13165	3.3
141.06902	3.2
142.07768	11.9
143.08548	17.8
144.09306	2.9
145.06415	2.8
145.10095	31.9
147.08020	15.4
147.11661	37.3
149.09566	12.2
151.07573	14.1
155.08495	7.3
156.09245	3.0
157.10133	20.4
159.08023	4.5
159.11617	17.0
161.09575	7.2
161.13194	8.7
163.11130	5.3
165.06982	3.8
165.09085	36.4
168.09288	3.1
169.10077	9.1
171.11690	11.6
173.09578	6.4
173.13248	7.6
175.11165	27.3
175.14775	2.8
177.09073	5.3
178.09950	3.2
181.10051	6.9
183.11615	12.6
185.13284	6.8
187.11212	3.9
187.14728	4.3
189.12680	4.6
193.10179	2.8
195.11615	5.6
197.13263	7.8
199.14702	3.0
201.12708	10.1
201.16251	3.9
203.14354	11.4
207.13765	7.5
209.13292	4.5
209.15215	3.0
211.14757	8.5
213.12677	2.7
213.16370	2.5
215.14081	2.5
221.13332	3.8
221.15321	60.5
223.14769	4.1
225.16286	4.5
229.15909	2.9
234.16112	13.3
237.16328	2.5
251.18039	4.3
269.18994	6.5
286.19196	4.0
287.20059	4.6
300.20587	3.0
329.21042	4.2
382.48184	2.8
391.26212	6.8
391.33575	7.8
409.27203	31.4
409.34518	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	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.6
70.05463	0.5
70.05880	0.9
72.08129	0.4
84.08134	1.5
89.23306	0.3
91.05459	1.1
98.20854	0.3
110.92130	0.2
112.11227	4.0
119.04903	1.7
129.13860	3.1
147.04396	1.5
165.28844	0.2
175.03896	2.4
185.04321	0.3
203.10435	0.3
203.22235	0.4
207.06470	2.8
240.43225	0.2
247.09418	0.6
258.95044	0.3
264.12329	0.9
335.19647	1.2
345.04343	0.3
363.14804	0.3
409.18268	100.0
409.27881	5.2
410.18539	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19934	0.6
55.05518	0.7
56.96562	1.0
58.06598	1.2
69.03451	0.6
69.88834	3.4
70.06586	1.3
72.08154	1.4
81.03423	0.9
84.08131	8.2
85.02938	0.6
91.05459	3.9
93.07117	0.8
97.02857	0.8
98.97601	0.9
105.07066	0.6
112.11230	18.8
117.03361	1.0
119.04949	5.5
128.98605	0.8
129.13869	12.5
137.05983	0.8
138.71988	0.6
145.02898	1.2
146.03239	0.7
147.04399	6.1
175.03905	9.9
177.05547	2.6
178.05785	0.7
203.05289	0.8
203.22406	1.5
207.06532	9.4
228.33270	0.6
237.02901	1.6
239.09546	0.8
247.09366	4.5
247.13179	2.4
264.12424	2.4
335.19675	3.5
392.25735	0.7
409.18475	100.0
409.27301	16.5
410.18710	1.7
427.16223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19934	0.6
55.05518	0.7
56.96562	1.0
58.06598	1.2
69.03451	0.6
69.88834	3.4
70.06586	1.3
72.08154	1.4
81.03423	0.9
84.08131	8.2
85.02938	0.6
91.05459	3.9
93.07117	0.8
97.02857	0.8
98.97601	0.9
105.07066	0.6
112.11230	18.8
117.03361	1.0
119.04949	5.5
128.98605	0.8
129.13869	12.5
137.05983	0.8
138.71988	0.6
145.02898	1.2
146.03239	0.7
147.04399	6.1
175.03905	9.9
177.05547	2.6
178.05785	0.7
203.05289	0.8
203.22406	1.5
207.06532	9.4
228.33270	0.6
237.02901	1.6
239.09546	0.8
247.09366	4.5
247.13179	2.4
264.12424	2.4
335.19675	3.5
392.25735	0.7
409.18475	100.0
409.27301	16.5
410.18710	1.7
427.16223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58555	0.9
58.06604	1.5
67.74267	0.9
70.06569	1.2
70.64814	2.1
70.65144	1.1
72.08128	1.7
77.96913	0.9
84.08144	5.6
91.05479	3.2
96.68819	0.9
107.87170	0.8
112.11232	18.3
119.04944	6.0
129.13861	14.3
141.91646	0.9
145.02884	1.0
147.04404	5.4
161.31978	1.0
175.03888	10.9
185.04175	11.9
207.06506	10.6
234.98857	1.3
246.04971	3.0
247.05731	5.5
259.70120	1.1
264.12320	3.5
335.19534	2.4
381.01038	0.9
392.25424	1.1
409.10999	100.0
409.28049	21.6
410.11105	2.5
414.18158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47116	2.8
50.69493	2.7
56.96565	22.0
58.06588	5.4
70.06606	3.4
71.33112	4.1
71.33493	3.3
81.03391	3.6
81.07021	3.5
84.08136	18.6
86.23975	2.9
91.05477	14.4
98.97574	43.7
109.10176	3.8
110.97549	5.1
112.11234	58.0
116.98615	30.0
119.04956	19.0
128.98601	14.9
129.13863	38.4
131.00160	3.2
133.10117	5.3
134.99626	17.9
135.08000	3.7
146.99640	9.8
147.04420	17.8
168.57471	3.4
175.03856	34.7
191.70038	3.8
207.06528	29.0
219.01732	9.0
237.02794	21.8
247.09384	6.8
263.09650	3.4
264.12366	10.4
265.11133	8.5
266.91193	3.1
283.12189	12.0
289.11118	5.6
307.12076	29.2
325.13199	9.5
330.13965	4.3
335.19644	10.7
374.46762	3.2
409.15439	100.0
409.27942	58.1
427.16302	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	409.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	17.8
60.51110	3.4
71.51533	5.3
72.08122	4.4
79.64536	3.5
83.04953	3.3
83.12514	3.4
84.08112	18.3
91.05479	14.1
93.07024	3.4
96.72664	3.3
98.97568	43.5
100.11262	4.5
101.84792	3.2
105.07005	6.5
110.63858	3.5
110.97537	5.2
112.11238	32.7
116.98614	32.8
119.04933	17.5
123.32333	3.4
125.77802	4.1
128.98569	9.6
129.05676	3.7
129.13855	25.2
134.99634	14.2
137.06010	3.6
137.09601	8.6
146.99583	5.2
147.04373	11.4
158.99721	3.5
175.03897	25.8
177.00665	5.3
192.43393	3.8
203.22281	5.4
206.56635	3.9
207.06459	21.4
219.01692	8.4
228.75127	3.8
237.02866	18.2
264.12131	5.1
265.11044	6.7
283.12085	9.7
289.11105	8.2
307.12161	29.4
310.28412	3.7
325.13229	6.3
335.19757	6.2
392.25122	4.1
409.15884	100.0
409.28046	45.5
409.35098	9.1
427.16284	15.0
434.20099	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	409.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.5
60.04496	0.3
64.46875	0.3
70.06565	0.3
71.18224	0.8
72.08139	2.1
76.03123	0.3
84.08131	4.8
88.88326	0.3
91.05473	2.2
96.46411	0.3
98.88491	0.3
107.45842	0.3
112.11234	11.7
114.09147	0.6
119.04923	3.8
120.08073	0.9
125.04334	0.3
129.13858	10.3
136.74780	0.3
147.04391	4.0
159.11299	2.0
175.03880	6.2
177.10199	0.4
179.06972	0.4
185.04208	1.3
203.05128	0.4
203.22292	1.0
207.06508	7.3
213.50592	0.3
223.10805	0.5
247.05756	13.2
248.05919	0.5
264.12271	2.4
265.06772	0.4
335.19614	3.5
384.82535	0.3
409.11417	4.7
409.18286	100.0
409.27182	13.7
410.18442	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	6.6
66.93088	1.1
69.62338	6.5
72.08142	3.9
84.08138	23.6
91.05470	10.3
112.11238	56.7
118.21606	1.1
119.04944	19.5
129.13875	42.4
130.12323	1.2
136.00027	1.1
147.04417	17.3
155.11838	1.9
157.04005	1.9
175.03905	30.2
179.07063	1.5
185.04204	49.9
203.05269	1.3
203.22368	1.8
207.06531	31.3
247.05783	28.6
247.08380	1.4
264.12326	13.0
265.06598	1.2
335.19598	14.7
409.11047	100.0
409.28094	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	409.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
58.06586	5.0
60.04518	1.5
70.06593	0.9
70.73103	0.3
71.59203	0.4
72.08143	8.6
84.08127	19.6
86.09677	0.9
87.05575	0.9
91.05467	9.2
98.09689	0.8
106.20108	0.4
112.11224	51.2
114.09143	1.9
119.04239	0.3
119.04920	19.2
120.08093	4.2
129.13860	37.1
132.02032	0.4
132.20230	0.3
145.02786	0.7
147.04384	17.5
149.02332	0.6
149.05876	0.3
155.11768	1.2
157.03993	1.0
159.11266	7.7
162.05264	0.4
166.08623	1.8
167.07019	0.3
174.05495	0.5
175.03883	27.1
177.05374	0.5
177.10178	1.0
179.06976	1.3
185.04175	6.6
187.10751	2.2
203.22302	3.6
207.06491	27.1
214.19147	0.4
223.10725	2.6
247.05746	45.0
248.06056	0.6
263.13910	0.8
264.12259	10.3
264.76428	0.4
285.08664	0.5
288.08389	0.4
313.07867	0.7
331.09103	1.0
335.19604	14.6
349.10208	0.4
352.22040	0.4
359.08459	0.5
385.64636	0.4
391.11548	0.4
391.26880	0.8
392.25458	1.5
409.10925	15.6
409.18121	100.0
409.27847	45.1
410.11176	0.6
410.18701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98901	2.0
52.95894	1.8
55.05494	2.1
56.77702	1.7
68.07040	1.7
69.07059	4.3
70.06573	2.6
71.04988	17.9
79.05486	4.5
79.93539	1.7
81.07036	5.5
84.08127	5.1
85.02895	4.1
85.06508	3.3
91.05463	5.8
93.07028	6.2
95.04948	2.3
95.08584	6.3
97.06524	3.2
98.97573	3.7
99.04445	52.0
105.06989	3.5
107.04969	2.3
107.08593	8.6
109.10138	4.0
112.11217	7.4
113.09632	7.7
115.07517	3.1
116.98592	3.0
119.04910	3.3
119.08559	8.3
119.23415	1.8
120.36436	2.0
121.10106	2.6
123.08064	1.8
123.11706	3.5
125.09628	1.9
129.13789	4.1
133.10115	4.6
133.23441	2.1
134.04433	2.4
135.11676	23.0
137.05948	3.6
138.06273	1.7
139.11150	2.3
139.63737	1.9
139.89365	1.8
141.12659	1.9
145.02783	3.0
147.04375	5.4
149.13249	2.5
151.14769	2.4
153.01801	3.3
167.06921	2.1
175.03925	4.4
175.14803	7.7
177.05420	4.6
193.15831	4.8
207.06491	5.9
211.16907	100.0
247.13248	2.3
307.12097	6.0
409.15518	10.1
409.28006	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	407.2789
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03959	6.6
55.05506	21.7
67.05499	44.8
69.07050	23.9
70.05014	29.4
79.05496	42.6
81.07052	46.3
83.08630	8.6
89.45905	6.1
91.05483	69.5
93.07034	46.3
95.04978	9.2
95.08604	45.3
97.06528	10.2
105.07027	79.2
107.08574	32.9
109.10123	13.5
117.07017	30.6
119.08553	53.5
121.10131	20.8
123.08082	6.7
123.11697	9.3
129.06990	20.3
131.08563	46.1
133.06439	6.3
133.10085	28.3
135.11668	14.0
143.08563	20.6
145.10127	27.4
147.11731	8.9
155.08534	17.0
157.10083	16.8
159.11656	16.1
166.13051	6.0
169.10149	13.3
171.11665	10.3
173.13222	8.0
181.10042	7.4
183.11661	11.2
195.11685	7.5
195.40608	5.7
197.13173	10.7
205.12419	6.2
247.16904	7.0
255.17386	8.0
317.93924	6.3
333.14993	6.4
335.23682	14.1
343.26361	9.1
353.24768	43.8
356.16824	6.1
371.25833	46.1
383.41330	6.2
389.26877	100.0
390.26767	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	407.258
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
55.01875	1.4
55.05497	3.9
56.96559	4.0
57.03423	2.4
57.07068	3.8
61.02910	2.4
67.05497	9.4
68.04177	1.3
69.03410	5.1
69.07062	4.9
70.01463	6.8
70.01811	2.1
70.02015	1.2
79.05491	12.4
81.03415	3.0
81.07056	15.1
83.04974	2.4
83.08607	1.9
85.02905	1.6
85.06538	4.1
91.05468	16.5
93.07026	16.0
95.04958	21.0
95.08598	7.2
97.06512	3.5
97.10125	1.4
98.21478	1.8
103.05474	2.6
105.07020	26.4
107.08602	13.3
108.37618	1.3
109.06532	6.7
109.10124	3.1
115.05402	2.4
117.06988	6.9
119.04885	1.8
119.08576	16.4
121.06489	7.0
121.10149	6.2
123.08035	8.1
123.97659	1.4
123.98521	1.7
125.06033	1.7
128.06277	3.0
129.06987	4.2
130.07784	2.6
131.08556	13.4
133.06496	3.2
133.10135	8.4
135.08049	6.6
135.11829	1.8
137.06076	1.8
137.09616	2.5
142.07784	7.0
143.08577	12.6
144.09341	2.4
145.06479	2.1
145.10123	16.8
147.08037	5.1
147.11703	3.4
149.09627	5.4
151.07497	9.2
153.06943	1.4
155.08556	5.5
156.09332	4.3
157.10124	12.3
157.24802	1.5
158.10754	1.8
159.08025	4.7
159.11693	8.3
161.09654	6.3
161.13278	2.5
163.11172	3.7
165.09120	6.1
166.07846	1.8
167.08594	4.0
168.09273	2.6
169.10092	6.5
170.10901	2.2
171.11661	8.7
173.09589	4.0
173.13246	2.8
175.11172	2.2
177.09126	3.5
179.08580	3.0
181.10114	4.6
183.11702	5.0
185.09581	2.7
185.13261	3.0
187.11166	2.8
189.12689	3.4
193.10199	2.1
194.10840	2.2
195.11731	3.9
197.13295	3.8
199.11174	7.9
199.14816	2.2
201.12723	2.0
203.14256	3.3
207.11800	2.1
207.13777	3.9
208.12350	2.0
209.13228	6.2
211.11186	2.2
213.12718	2.5
215.14249	2.1
221.13351	2.3
221.15381	6.7
223.14726	2.0
229.12169	2.5
237.12860	1.7
237.43240	1.5
253.15891	2.3
269.10516	2.9
284.12680	1.6
285.10168	2.4
285.18466	1.6
286.19373	4.1
287.20020	4.1
333.18466	1.7
343.35092	1.8
389.24710	3.0
407.25784	100.0
408.26102	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	407.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.6
55.05506	21.7
67.05499	44.8
69.07050	23.9
70.05014	29.4
79.05496	42.6
81.07052	46.3
83.08630	8.6
89.45905	6.1
91.05483	69.5
93.07034	46.3
95.04978	9.2
95.08604	45.3
97.06528	10.2
105.07027	79.2
107.08574	32.9
109.10123	13.5
117.07017	30.6
119.08553	53.5
121.10131	20.8
123.08082	6.7
123.11697	9.3
129.06990	20.3
131.08563	46.1
133.06439	6.3
133.10085	28.3
135.11668	14.0
143.08563	20.6
145.10127	27.4
147.11731	8.9
155.08534	17.0
157.10083	16.8
159.11656	16.1
166.13051	6.0
169.10149	13.3
171.11665	10.3
173.13222	8.0
181.10042	7.4
183.11661	11.2
195.11685	7.5
195.40608	5.7
197.13173	10.7
205.12419	6.2
247.16904	7.0
255.17386	8.0
317.93924	6.3
333.14993	6.4
335.23682	14.1
343.26361	9.1
353.24768	43.8
356.16824	6.1
371.25833	46.1
383.41330	6.2
389.26877	100.0
390.26767	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	407.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.4
55.05492	2.6
65.03925	8.8
67.05485	7.3
69.03419	2.8
69.07054	3.2
70.06583	3.9
71.01323	4.0
71.34697	2.2
71.35008	3.3
72.08129	2.7
79.05486	13.9
81.07034	4.2
82.04206	3.0
82.07429	2.0
83.04965	2.5
84.08124	7.0
85.02886	4.9
86.09669	3.3
91.05465	22.8
93.03404	2.3
93.07075	4.8
95.04967	15.7
97.06470	2.5
103.05459	23.7
105.03378	10.1
105.07014	9.5
107.04939	68.0
107.08585	4.2
108.69005	2.0
109.06512	11.7
110.03649	5.1
111.04436	4.7
112.11239	4.8
115.05429	8.7
117.03355	2.9
117.07008	5.2
119.00021	1.9
119.04919	8.0
120.05704	2.0
121.06515	11.6
121.10123	2.3
122.03590	3.2
122.10428	2.7
123.04413	13.4
125.05997	2.5
129.13824	2.5
131.04889	9.0
133.02841	15.5
133.06490	9.9
135.04359	5.8
135.08043	16.7
137.05963	42.7
138.03046	2.5
138.06789	2.8
139.03897	3.0
140.04637	6.9
145.02820	5.7
147.04375	8.6
148.05176	2.6
149.05954	11.7
151.03880	3.2
151.07507	11.5
153.05446	16.1
154.06244	2.4
155.07018	11.3
161.05948	26.0
161.09578	9.1
163.07527	80.3
165.05467	34.9
166.06227	7.6
167.07036	14.1
169.08542	5.6
171.06566	3.8
174.06769	3.8
175.03897	4.0
175.07491	3.6
177.05450	15.8
178.07852	1.9
179.06996	7.6
180.07794	15.8
181.04936	100.0
181.08534	34.5
183.06474	7.5
189.05478	5.7
189.09125	16.2
191.06953	3.6
192.14682	2.2
193.04927	16.6
195.10051	2.2
196.07263	3.3
197.08040	8.0
207.06502	23.7
207.10117	16.6
208.05438	3.9
208.07283	47.5
209.08073	4.6
211.09752	1.9
225.07542	46.2
225.09758	2.4
226.08304	34.7
226.10402	3.8
227.12744	5.2
227.16304	2.7
228.16621	4.8
235.09612	2.9
313.10785	3.2
315.75061	2.3
316.54977	2.3
327.12366	2.4
338.76770	2.0
347.13516	2.8
359.14771	4.4
361.04001	9.7
365.14566	3.6
379.04843	3.9
384.05685	3.9
389.15826	4.7
395.51938	2.2
407.16745	2.8
407.26251	3.5
423.53763	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96513	3.8
67.05444	0.4
70.06547	0.4
70.37252	0.3
70.94032	0.9
71.04945	0.6
79.05449	0.3
84.08086	0.8
85.02877	0.6
91.05442	0.7
93.06960	0.3
95.04913	0.5
95.08551	0.5
97.02814	0.4
105.06984	0.6
106.34257	0.3
107.04896	0.5
107.08542	0.4
112.11191	0.4
117.03310	0.4
119.04883	0.5
119.08510	0.5
121.06425	0.4
129.13831	0.3
131.04871	0.5
135.08028	0.6
137.05988	2.0
145.02795	0.7
145.10030	0.3
151.07465	0.7
158.63530	0.4
161.05923	0.8
163.07492	0.5
165.05405	0.3
167.07028	2.7
177.00595	0.4
177.05380	1.3
178.05798	0.3
181.04860	0.8
181.08563	0.6
194.99567	0.3
197.01186	0.5
207.06380	0.4
221.01195	0.4
225.07579	0.3
228.13104	0.4
235.02727	0.7
243.03241	0.6
243.08727	0.7
247.02936	0.3
253.03851	0.5
259.02744	0.7
261.04196	0.4
263.02328	0.3
269.00983	0.3
275.02344	0.4
277.03748	0.7
287.02298	1.5
289.03818	0.4
299.02457	0.4
305.03320	1.8
307.04526	0.3
311.77206	0.3
315.01822	0.6
317.03201	0.4
323.04279	0.4
325.00089	6.2
333.02774	1.2
335.04376	0.4
343.01193	6.8
351.03860	0.4
361.02283	100.0
362.02576	2.9
366.02985	0.7
378.15070	0.4
379.03342	58.2
380.03751	1.4
384.03867	7.5
385.04001	0.5
402.04892	2.2
407.05612	0.5
407.20956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36886	0.5
59.98998	0.4
70.21354	2.0
81.07018	0.6
85.02898	0.6
142.41466	0.4
153.01779	0.5
168.04077	0.4
171.00540	3.5
185.04205	3.9
245.07822	100.0
246.08182	1.7
255.14647	0.5
263.08725	0.7
286.10593	0.7
300.10922	0.4
339.44946	0.5
407.13077	28.5
408.13101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11608	1.6
52.43221	1.6
53.03939	2.6
55.01870	10.1
56.96558	2.5
57.03436	2.1
65.03940	5.9
67.05508	5.3
68.53764	1.6
69.03412	2.1
70.06590	4.9
70.78437	2.1
70.78766	3.1
71.01340	8.0
71.63976	1.9
75.40488	2.0
79.05482	13.1
81.07050	5.5
82.04170	2.2
84.08138	5.4
85.02908	6.3
86.09695	4.5
91.05472	20.9
93.03391	3.5
93.07041	4.1
94.04223	2.1
95.04961	15.4
97.06554	2.6
103.05448	22.5
105.03381	6.1
105.07034	13.0
107.04951	64.7
107.08595	4.2
108.41738	1.8
109.06528	10.6
110.03648	3.5
111.04429	3.0
112.11250	4.1
115.05448	6.3
117.03357	2.2
117.06944	3.4
119.04906	8.1
120.05725	2.8
121.06503	11.5
121.10137	4.9
122.03649	3.6
122.10531	2.8
123.04414	12.2
124.05223	2.5
125.05981	5.2
129.06978	2.2
129.13847	3.2
131.04948	8.7
133.02844	15.4
133.06451	10.6
135.04427	4.3
135.08063	13.0
137.05962	42.3
138.06767	2.9
139.03847	2.5
140.04672	5.4
145.02870	4.4
145.06476	2.3
146.99628	2.3
147.04410	9.6
147.08061	1.7
148.05228	4.2
148.67828	2.0
149.05966	9.7
151.03880	3.1
151.07564	7.7
153.05460	15.0
154.06248	4.0
155.07047	12.5
161.05980	23.9
161.09633	5.9
163.07521	76.4
165.05457	30.5
166.06259	7.6
167.07062	12.7
169.08623	5.9
171.06532	3.7
174.06784	2.4
175.03871	2.1
175.07562	3.1
177.05460	16.5
179.07056	5.6
180.07787	15.6
181.04955	100.0
181.08546	37.4
182.09372	3.2
183.06450	4.4
189.05521	2.6
189.09082	13.9
191.07060	4.5
192.14594	2.1
193.04919	16.3
193.08643	2.2
195.06592	4.0
197.08118	6.1
205.22029	1.8
207.06528	22.6
207.10127	14.4
208.07288	47.1
209.08051	5.3
217.08646	2.2
225.07535	35.7
225.09500	2.9
226.08330	29.2
227.12764	4.1
228.16718	4.8
235.09631	3.9
237.02861	2.3
251.10760	1.7
287.04916	2.1
313.10577	2.9
313.14206	2.2
315.11792	2.0
327.12292	2.6
343.11871	3.5
347.13782	3.1
359.14868	6.4
361.04245	8.7
361.16620	2.8
365.14957	5.3
379.04938	3.1
384.05521	5.8
389.16055	3.3
407.16544	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	406.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92102	4.6
51.27436	4.5
55.05506	6.4
55.93521	21.7
56.96563	10.4
57.03422	5.5
67.05502	45.1
69.07045	7.6
70.95854	14.1
71.92985	6.0
72.93782	36.2
72.99206	5.1
75.22388	5.8
79.05492	15.1
81.03429	11.3
81.07056	17.1
85.02897	11.0
86.99569	5.5
88.96894	8.5
90.94836	31.9
91.03957	5.1
91.05503	8.1
93.07019	13.5
95.04961	8.9
95.08618	7.5
97.02909	6.6
97.06527	5.0
105.07021	8.8
107.08600	9.5
108.95863	8.6
109.10172	14.1
116.96418	4.9
119.08540	7.7
126.98418	5.5
128.96349	7.0
130.97948	5.8
134.97379	6.8
135.11726	5.7
138.98421	8.4
140.72809	4.4
144.99504	5.0
146.97418	10.6
148.98943	8.9
150.96927	4.8
160.98978	7.9
162.01204	5.9
165.00049	5.2
166.97899	8.7
168.99504	5.4
172.98993	10.5
175.00420	5.3
179.01527	6.0
180.99376	6.7
182.97527	4.9
184.98912	5.4
187.00502	8.9
199.00490	8.6
201.02013	8.3
201.03731	5.0
215.03665	9.2
224.03635	4.5
225.01965	7.1
227.03587	10.3
228.05763	5.3
245.04720	99.1
245.07045	9.4
257.04581	6.3
263.05795	7.9
267.06845	25.5
268.06317	8.5
271.06384	6.3
273.04218	20.4
274.04935	9.2
275.05722	49.4
283.05930	5.7
285.07648	27.1
288.02939	9.9
298.07434	5.6
299.05786	14.6
329.11838	6.8
347.13052	58.4
365.14114	100.0
383.15112	89.1
388.15884	7.0
406.16714	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	406.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62397	2.4
54.54506	2.7
55.05478	3.3
56.96292	3.3
56.96559	33.4
57.33646	2.3
57.57981	2.6
60.92477	2.6
67.05488	5.3
69.07061	4.9
71.16943	3.9
71.17271	3.8
71.95236	3.9
74.09705	4.2
81.07047	9.7
91.05491	3.0
95.08582	3.7
105.07040	6.1
107.08569	3.3
119.08537	3.3
128.98573	4.3
133.01682	3.0
133.10075	3.8
146.99660	4.0
147.03221	4.3
149.09631	4.5
159.03215	5.0
171.03317	3.9
173.04892	7.2
174.10435	3.0
189.04404	6.1
189.12691	3.8
191.05782	4.0
199.06505	7.7
201.07938	6.4
217.07376	3.6
219.08971	4.1
232.40939	3.1
237.07970	9.7
243.09073	9.6
255.09015	100.0
257.10672	2.9
261.10095	3.2
267.09106	2.7
273.10068	79.4
278.10657	12.4
283.08609	6.5
285.10355	4.6
296.11707	4.4
301.09561	6.5
313.09677	4.0
329.14154	6.3
347.15308	23.8
365.16348	67.8
383.17383	38.9
388.17816	4.4
406.18921	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	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.9
58.45673	2.0
61.08690	1.9
67.05479	8.0
69.03406	8.3
69.07059	3.5
69.61976	8.1
69.62409	7.6
71.04968	3.6
76.44786	2.3
79.05478	9.4
81.03399	2.7
81.07058	10.7
83.04974	3.7
84.08141	5.2
85.02900	15.7
91.05466	7.9
93.07038	22.8
95.04948	5.5
97.02866	6.1
97.06511	5.3
99.04442	19.7
100.11241	6.5
101.05983	2.6
103.05432	2.5
105.07024	19.9
105.80704	2.1
107.04921	7.4
107.08580	40.8
111.08058	5.1
112.11211	3.3
115.05383	2.5
117.06988	3.6
119.04930	2.4
119.08550	10.1
121.06487	12.3
121.10129	40.1
127.03909	4.4
129.13818	2.4
131.08531	6.5
135.08002	4.1
135.11644	12.2
137.05936	3.4
145.02791	5.1
145.10114	26.1
147.04408	4.1
147.11707	4.0
149.05969	4.8
149.09593	10.1
153.01823	2.3
155.11766	2.3
163.07466	2.5
163.09825	4.4
163.11166	71.5
165.12675	2.8
167.07065	10.5
168.17511	2.0
173.09622	9.1
177.05446	7.9
178.05910	3.0
180.08638	3.6
181.12213	25.6
188.79495	2.2
191.10649	100.0
209.11688	33.7
227.12750	77.9
261.12357	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	406.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.3
56.96559	16.3
57.07064	9.2
61.02909	10.9
67.05495	13.0
69.03410	8.6
69.07065	12.5
70.06581	17.1
71.20663	13.8
72.64457	6.8
72.93782	16.1
73.93876	5.8
79.05473	14.6
81.03423	10.7
81.07044	17.8
85.02884	13.2
88.07606	9.7
90.94802	13.7
91.03958	10.8
91.05478	17.8
93.07018	11.7
95.04964	10.6
95.08614	7.7
97.02906	15.7
105.07011	14.9
107.08596	8.0
114.22136	6.5
119.08587	8.4
133.10103	7.9
141.54652	6.4
149.09581	9.9
225.02110	11.4
243.03104	12.0
245.04678	11.0
263.03604	7.8
265.05414	10.1
281.04767	26.2
300.28979	21.7
309.04135	17.4
327.05222	30.9
337.10931	13.1
344.31662	7.0
347.12982	100.0
349.17010	8.0
365.10190	15.6
365.14188	46.5
383.11484	86.1
406.13107	21.0
406.35150	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05765	7.1
52.29032	7.6
52.92767	9.8
55.01859	9.7
55.05495	16.2
56.05882	7.5
56.94304	11.4
56.96551	30.2
61.02920	17.1
67.05495	33.4
69.07049	26.1
70.95844	10.5
72.93771	34.5
79.05481	21.5
81.03390	12.0
81.07039	34.8
85.02891	9.5
90.94815	17.1
91.05466	23.9
93.07026	30.8
95.04970	11.3
95.08593	23.3
97.02900	11.9
97.70733	9.3
98.20708	14.7
101.83016	8.5
105.07012	28.7
107.08580	22.4
109.10147	8.7
117.07013	9.0
119.08557	23.0
123.08066	7.6
127.03870	9.9
128.96339	11.4
132.67836	8.1
133.10172	10.9
134.10393	7.4
135.08090	7.9
135.11671	10.6
145.10114	12.4
147.11581	8.3
148.12009	9.8
148.98924	10.9
150.97020	8.9
166.97882	15.1
171.11723	8.7
172.98917	9.1
179.14252	15.5
180.14601	13.2
184.98958	10.1
192.04428	7.6
229.05188	9.0
258.44763	8.9
267.06750	100.0
271.06268	14.6
283.06116	11.0
285.07672	77.7
299.05743	26.0
308.09442	10.8
347.12930	66.9
365.13937	24.6
406.30481	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83080	1.2
53.03932	1.6
55.01851	2.5
55.05511	2.1
61.02916	3.2
61.22645	1.4
67.05498	5.6
69.03423	7.6
70.12278	6.1
71.04990	4.6
79.05486	9.2
81.03423	2.8
81.07055	4.7
82.84964	1.2
83.04997	1.5
85.02901	14.3
85.06626	1.4
91.05469	4.0
93.07042	22.6
95.04974	2.9
95.08615	1.7
97.02887	4.6
97.06510	3.8
99.04449	24.1
101.06016	2.1
105.07023	21.8
107.04938	1.5
107.08585	42.9
109.02905	1.7
109.06503	2.2
111.08061	4.1
115.05338	1.0
117.07005	3.8
119.08556	8.8
121.06510	12.2
121.10136	33.0
123.08059	2.4
127.03892	2.4
130.07765	1.4
131.08565	5.1
135.04460	1.6
135.08044	3.3
135.11700	8.6
139.57245	1.2
141.97726	1.1
145.02846	2.1
145.04982	2.7
145.10121	28.2
147.11749	1.6
149.05962	3.3
149.09608	6.9
151.07498	1.3
158.47015	1.1
161.41211	1.1
163.11177	75.2
173.09637	9.3
177.05524	2.8
180.08739	2.6
181.12228	23.2
191.10664	100.0
192.11096	1.5
193.10915	1.3
199.41618	1.4
209.11731	28.9
225.07539	1.6
227.12778	62.0
228.13062	1.6
299.84769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03941	1.3
56.49408	0.4
56.96555	1.2
57.07080	0.7
59.63811	0.3
61.02930	0.5
67.05495	0.4
69.07071	0.6
69.96698	1.2
69.97106	0.8
70.06578	1.3
76.16969	0.3
79.05492	8.4
81.03410	0.6
81.07048	0.9
85.02862	0.4
87.42666	0.4
88.07619	1.3
91.03954	0.4
93.07049	0.4
95.04984	3.0
98.21429	0.5
103.05458	5.4
105.07026	100.0
106.07375	2.3
107.08610	0.6
114.09170	1.0
116.98704	0.5
121.10152	0.4
132.10173	1.0
135.11627	0.6
146.09694	0.5
168.64905	0.4
174.00671	0.4
176.12848	1.5
177.07176	0.4
210.85065	0.4
217.57098	0.4
242.48064	0.4
255.09123	0.9
267.09082	0.7
269.10489	0.4
273.10123	0.8
285.10010	1.8
302.02924	0.9
314.03119	1.9
315.03259	0.8
373.50476	0.5
406.09283	4.0
406.35266	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	406.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.02105	0.9
55.05496	1.5
56.05029	5.2
57.03439	4.3
57.97894	0.8
58.99580	10.9
68.05004	1.5
73.01131	1.7
74.00658	1.5
76.01819	1.4
76.02223	20.9
76.03986	2.5
79.05470	3.2
81.07050	16.9
83.06083	1.9
84.04499	23.6
84.08117	1.5
85.01117	2.2
86.00641	3.0
86.99045	5.0
87.02692	6.0
88.02210	1.4
95.08590	3.9
96.08112	0.9
97.01099	0.9
97.06534	1.9
98.09682	12.2
98.21535	1.5
99.05540	1.4
99.08083	5.2
100.02197	0.8
102.05524	4.3
110.09661	2.3
112.03954	3.0
112.11229	1.1
113.04222	5.0
115.05773	1.5
116.01669	21.8
122.09653	2.3
123.10404	1.0
129.06567	2.6
130.05008	6.1
130.06837	4.3
130.08594	1.6
139.05763	2.0
142.03194	2.5
143.02756	1.0
144.01137	7.4
145.02840	1.0
145.06938	1.1
156.08403	19.6
156.10178	11.1
157.06821	10.0
162.02180	22.8
167.07034	1.7
174.09442	13.7
177.05429	2.2
179.04857	8.6
188.03697	0.8
189.03271	1.8
210.11255	2.2
216.06909	6.2
229.47444	1.1
229.49580	0.9
233.05971	3.1
242.08562	1.3
245.06134	1.2
259.11105	100.0
260.11578	1.9
285.12708	1.7
313.12119	3.5
331.13196	6.4
388.15237	2.0
406.16254	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78545	1.1
67.05484	2.0
69.03439	1.4
70.75813	2.6
79.05470	1.3
83.04968	2.2
85.02892	3.6
95.04948	2.0
95.08586	2.8
109.06532	1.6
118.77982	1.1
119.08578	1.7
121.10131	2.9
121.46910	1.0
123.08058	100.0
124.08407	3.5
145.10228	1.5
149.09615	1.4
163.11192	1.6
164.55841	1.2
181.12212	9.2
200.71875	1.0
207.13838	1.2
225.14828	7.7
395.88245	1.1
413.72736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.05497	3.6
56.96551	1.4
67.05500	3.1
68.03316	1.0
69.03409	4.9
69.07050	2.3
71.04980	3.8
74.86168	1.2
79.05490	5.2
81.07047	5.5
83.08610	2.0
85.02900	7.2
85.06560	1.2
91.05468	8.3
93.07037	98.0
94.07402	1.8
95.04975	2.9
95.08593	4.8
97.02881	1.5
97.06516	3.2
98.20710	2.3
100.11250	4.0
105.07028	13.7
107.04922	2.0
107.08595	10.5
109.06503	2.2
109.10127	6.7
111.04435	2.2
111.08068	4.1
119.08566	15.1
121.10141	36.5
121.11018	1.9
122.10518	1.3
123.08063	3.0
125.06135	1.4
125.09667	1.5
127.03897	1.8
131.08566	3.0
133.10118	51.0
134.10483	1.5
135.11641	2.5
137.05991	3.6
137.09612	1.8
145.10109	3.0
147.11674	3.6
149.09601	6.3
151.11174	100.0
152.11572	3.3
161.13246	26.9
163.11162	1.6
163.14810	4.9
165.12738	2.0
167.07016	1.9
171.11739	2.1
179.14308	26.6
180.08702	1.2
181.04997	5.8
181.12233	2.8
182.15483	1.3
189.12704	11.8
203.06976	1.5
207.13771	9.7
210.14992	1.2
225.14824	39.9
233.08124	2.2
242.17558	2.5
305.54324	1.4
344.13232	1.7
354.56024	1.3
427.72589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80471	2.6
53.03929	9.0
53.91090	2.7
55.01876	6.6
55.05269	2.8
55.05511	53.6
57.02102	2.7
57.03427	5.1
57.30669	2.8
57.88428	2.9
59.04988	2.9
63.57209	3.3
65.03947	3.5
67.05502	75.3
69.03414	4.1
69.07066	47.7
69.64358	16.3
71.04985	7.6
79.05058	4.2
79.05488	62.7
81.03423	3.7
81.07053	85.8
83.04979	8.2
83.08617	36.7
85.02931	3.1
85.06550	7.6
91.05479	100.0
93.07046	60.8
95.04968	12.7
95.08610	46.1
97.02882	3.7
97.06538	13.5
97.10169	15.2
98.21442	6.8
99.08081	2.9
103.05488	3.8
104.04854	2.9
104.99344	4.0
105.07029	79.1
107.04960	8.8
107.08597	28.9
109.06504	10.0
109.10157	15.3
111.08106	13.8
115.05441	8.9
116.06158	2.8
117.07020	60.5
119.08589	39.9
121.06478	12.2
121.10131	23.7
123.08074	8.5
125.09630	5.3
127.07526	2.5
128.06180	14.6
129.07002	66.7
130.07823	2.6
131.08560	95.2
131.09512	5.5
133.06479	8.3
133.10135	19.2
135.08038	4.6
135.11700	9.2
137.09628	4.3
139.11166	10.8
141.06989	19.9
141.09059	3.2
142.07768	11.1
143.08554	50.1
145.06480	13.7
145.10110	31.0
147.08069	8.9
147.11664	10.8
149.09619	8.3
151.11151	5.3
153.06989	8.4
154.07732	4.9
155.08560	32.1
156.09277	4.3
157.06514	6.5
157.10139	23.0
159.08025	5.3
159.10475	3.3
159.11647	17.9
161.09651	4.3
161.13271	4.0
163.11243	5.7
165.06989	5.5
167.08566	20.0
169.10126	17.7
171.08040	5.3
171.11671	16.7
173.09599	4.1
173.13338	5.6
175.09677	7.4
175.11159	6.6
177.12741	9.0
179.08556	5.0
181.10118	21.0
181.11819	2.5
183.11668	12.1
185.09644	4.6
185.13257	13.0
187.11122	6.3
187.14752	4.8
192.24820	3.3
193.10159	8.3
195.11668	17.9
197.13225	8.9
199.14815	4.7
201.12663	4.0
203.12654	3.7
205.12198	3.6
207.11726	6.1
207.13759	2.9
209.13237	13.1
211.11169	3.0
211.14771	9.4
213.12729	7.3
213.16220	3.6
215.14328	3.2
219.13797	3.4
221.13293	15.4
223.14766	16.7
225.16428	5.6
227.14412	4.7
231.13835	3.8
233.13290	4.5
233.15379	18.3
235.14856	9.2
239.14246	9.1
241.15787	3.9
243.13814	3.8
247.16870	3.9
253.15927	5.4
257.15305	8.8
259.16956	6.7
267.17349	3.7
271.16937	11.9
275.16455	3.2
285.18811	3.2
286.52756	2.8
286.84482	3.0
323.23688	10.0
333.22147	16.9
341.24744	15.7
351.19177	4.4
351.23190	48.5
359.25723	5.3
369.24179	36.8
387.25320	46.9
405.26187	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	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04541	0.4
52.92055	0.3
57.28384	0.4
61.02917	0.6
69.03415	0.8
69.32502	3.8
70.06560	0.4
73.02898	0.3
78.04692	0.5
84.08118	1.4
85.02908	2.2
86.09708	0.6
89.03876	0.5
91.05447	0.4
95.08579	0.5
97.02873	0.9
106.04176	0.4
107.04916	0.5
112.11213	1.3
113.07104	0.5
117.03365	1.3
119.04948	0.6
123.04387	2.5
124.05208	0.8
127.03951	0.6
129.13870	1.1
137.05917	0.4
145.02861	2.4
145.04869	0.7
147.04355	0.4
149.19209	0.4
152.04610	0.5
155.11769	1.1
167.07013	100.0
168.07330	1.7
177.05435	3.5
177.62854	0.4
185.60780	0.4
207.06548	0.7
223.57530	0.3
225.11182	14.7
226.11479	0.5
229.20091	0.6
234.11282	0.7
319.11798	0.5
405.24918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.1
57.03418	2.3
57.07064	3.8
59.04985	2.0
67.05505	17.9
69.03410	5.7
69.07053	3.8
70.06577	5.3
71.04964	1.5
71.59266	2.3
73.02904	4.1
77.21162	1.2
79.05482	1.8
81.03408	3.3
81.07052	2.3
83.04970	1.8
83.08629	1.9
84.04465	1.7
84.08118	2.5
85.02907	9.8
85.06534	17.0
86.09690	2.4
91.05465	3.9
93.07024	4.3
95.04972	2.3
95.08598	100.0
96.08919	2.2
97.02879	5.6
97.06454	1.3
99.08080	10.1
105.07014	5.7
107.04930	5.8
107.08598	1.8
109.06485	1.7
109.10168	1.4
112.11227	3.2
113.05981	18.3
117.03318	1.3
119.04921	2.8
119.08572	20.2
121.02885	2.0
121.06461	1.6
121.10114	5.6
121.23833	1.5
123.08060	10.1
127.03915	4.2
127.07535	37.7
131.08582	1.6
135.11664	5.0
137.05936	1.8
145.02824	4.7
145.04951	3.4
147.08170	2.2
151.07513	6.8
151.14806	1.9
153.01807	5.2
161.06143	1.4
161.13240	16.6
161.25085	1.5
163.11209	3.9
167.07042	3.4
175.03912	2.5
177.05467	7.1
179.14247	7.6
184.03151	1.4
189.12759	3.3
207.06532	3.0
207.13802	42.6
215.09222	2.9
225.14793	1.7
239.07779	1.8
285.10214	1.7
310.07983	2.8
327.09509	1.8
340.09064	2.0
345.10730	5.7
368.08423	1.8
373.10330	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
67.05496	1.5
69.03407	1.8
70.06364	2.5
70.06780	1.4
71.05013	1.0
72.41547	0.9
77.81868	0.9
79.05477	1.3
81.07037	1.4
83.04978	2.4
85.02895	3.4
91.05457	1.1
93.07042	1.6
95.04954	1.8
95.08585	2.6
97.02910	1.2
97.06520	1.9
98.21464	1.8
104.49282	0.9
105.07032	1.2
107.08574	1.1
109.06483	2.2
119.08540	1.2
121.10112	4.1
123.08062	100.0
124.08402	2.2
125.05981	2.5
135.07957	1.1
135.11656	1.2
137.09554	1.0
147.11633	1.0
148.95406	0.9
149.09598	1.0
151.07529	1.9
163.11197	6.6
177.05470	1.5
181.12207	10.1
189.12741	1.3
207.13763	2.6
225.14804	14.4
226.15157	1.1
253.57304	1.0
306.05927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49090	2.5
69.49489	8.6
70.48513	1.2
75.64808	1.1
76.02233	6.7
81.06970	1.1
84.04472	1.4
97.02878	1.2
97.06512	6.2
98.21296	3.8
112.03727	3.8
114.84202	1.0
130.04996	1.3
139.10371	1.1
153.05209	4.8
162.02188	1.6
164.56604	1.2
179.04825	3.1
219.85393	1.0
224.08928	5.4
241.94516	1.1
242.09975	100.0
260.09720	1.5
404.15225	93.4
405.15784	2.0
405.85907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60644	0.7
69.03407	1.5
70.25340	0.7
71.58232	1.2
81.03436	1.0
84.08132	0.9
85.02892	5.3
89.03884	0.9
91.05465	16.3
112.11191	1.3
118.04136	1.6
119.04928	29.1
127.03903	1.1
127.41497	1.0
132.01985	1.0
145.02823	1.8
147.04395	26.8
149.02393	2.3
157.03958	1.9
164.04573	2.0
168.70210	0.9
175.03877	44.3
177.05516	1.8
179.07062	2.2
192.04170	13.1
207.06494	100.0
208.06914	1.2
225.07542	29.9
344.72195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64066	1.9
54.59750	1.8
55.27861	2.1
64.72572	2.0
69.60686	12.9
71.35847	2.0
74.39520	2.0
81.07057	2.0
84.08125	4.6
84.53782	2.2
85.02872	7.6
91.05473	17.5
105.07014	3.9
107.08560	4.5
112.11209	5.3
112.13900	2.4
117.03339	3.7
118.34802	2.3
119.04925	17.4
121.10149	3.8
127.03912	2.6
129.13864	3.0
129.37575	2.1
131.08578	3.1
135.08043	7.6
145.02811	6.0
147.04416	19.8
147.07994	3.5
147.11668	4.8
149.02344	2.7
156.09340	4.1
156.81868	2.1
164.07042	3.4
171.11658	7.0
175.03883	37.6
177.05437	13.0
189.12723	6.3
192.04121	8.2
207.06509	100.0
207.13745	25.9
225.07533	34.4
391.82086	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	404.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45936	0.5
56.96558	13.0
66.04707	0.6
71.95255	1.2
79.05486	0.8
81.07028	0.7
91.05462	0.7
94.04150	1.3
98.97574	53.7
110.74984	0.6
111.58125	0.5
114.99402	0.6
116.98610	59.4
121.09981	0.5
122.03644	5.1
134.99644	44.9
137.05963	42.8
137.06845	0.6
140.00194	2.9
153.00720	8.0
158.01218	3.4
176.02312	1.0
176.06909	0.8
179.00114	1.0
193.01680	0.6
197.01161	2.9
198.02036	1.4
208.10022	0.6
211.02718	1.3
215.02150	1.1
216.03142	0.9
220.00375	1.3
224.09531	0.9
226.11145	15.0
235.02751	37.0
236.03152	1.1
238.01573	2.5
242.10620	1.6
244.12177	9.9
249.12721	0.8
253.03812	100.0
254.04181	2.4
267.13760	0.8
268.12158	3.9
271.04846	6.3
276.05408	12.0
280.12195	1.5
286.12988	0.7
298.13074	0.6
324.67148	0.6
329.12955	1.8
344.15292	6.3
362.16364	2.4
404.17407	62.9
405.17624	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	402.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	1.4
57.99957	0.3
65.03932	0.8
69.03390	0.3
69.66411	0.5
69.66821	1.7
79.97028	0.4
79.98042	0.3
81.07030	0.3
85.02872	1.0
89.01431	0.3
98.25213	0.3
100.61263	0.3
104.84271	0.3
121.02860	3.9
149.02318	100.0
150.02669	2.3
167.03358	1.8
169.64081	0.3
205.08534	2.6
223.09636	7.6
223.11655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1232
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
53.03938	1.0
55.17785	0.5
65.03928	4.2
67.05467	1.1
68.99775	6.8
69.03410	1.6
69.07051	0.9
70.06582	8.8
71.06910	0.9
71.59288	0.8
79.05483	6.4
80.91479	0.5
81.03414	2.6
81.07007	0.6
84.08132	0.6
85.02896	3.7
86.09698	7.1
87.04420	0.5
87.24656	0.5
89.03876	1.2
91.05471	27.0
92.05801	0.7
93.03376	1.9
94.04158	0.8
95.04956	2.8
97.02866	1.8
97.06534	3.6
99.04461	1.1
105.00079	0.6
105.03374	2.1
105.38274	0.5
107.04942	5.5
109.02827	0.7
109.06483	0.7
110.03622	0.5
111.04440	5.2
112.11279	0.6
114.25714	0.5
117.03361	2.0
119.04943	6.4
120.02080	2.0
121.02856	10.3
121.06491	0.8
123.04386	1.0
124.05235	0.7
125.05947	2.5
127.03887	0.8
129.95302	0.5
133.02827	1.8
135.04405	13.8
137.05933	2.8
139.03880	1.8
139.07513	1.4
145.02823	1.9
145.04929	0.8
147.04372	2.3
149.02330	8.8
153.05460	3.5
161.59566	0.5
163.03888	13.5
164.04507	0.6
165.05432	4.9
166.02608	1.5
167.07024	2.0
175.03871	3.5
177.01772	0.9
177.05615	1.1
180.04158	0.9
181.04950	10.6
193.04927	2.0
195.06532	7.8
203.12105	0.5
207.06485	7.7
208.03494	0.7
209.04428	100.0
210.04779	2.1
213.07700	0.5
223.05960	6.9
223.07840	0.8
225.07553	2.6
225.76376	0.5
229.15439	2.5
230.15691	0.6
241.07045	8.3
252.77853	0.6
294.89868	0.5
341.11087	0.7
347.15860	0.6
352.03415	0.5
403.15741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1384
Annotation	Nobiletin
Peak:m/z	Relative Intensity
52.14347	0.4
56.96516	0.5
68.99753	0.6
69.03375	1.3
69.76015	2.3
79.05444	0.4
81.07005	0.5
86.09615	0.4
91.05427	0.9
99.04396	1.3
107.08575	0.4
119.08528	0.5
127.03902	2.1
139.00174	0.5
148.05171	0.5
153.01849	0.4
155.03386	0.4
155.99448	0.4
159.06560	0.3
159.11629	0.5
162.06720	0.8
163.07518	2.7
165.05438	3.9
169.01241	0.4
172.34204	0.4
183.02870	14.5
186.01514	1.5
193.01221	0.5
194.69319	0.4
195.47107	0.4
198.69284	0.3
211.02354	7.7
213.05405	0.4
229.03343	3.4
231.06477	1.5
233.54596	0.4
244.07364	1.1
246.08943	0.5
256.54520	0.4
257.07990	0.9
258.05240	3.8
259.06015	3.0
272.06714	0.8
273.07654	0.5
274.08322	1.3
277.06891	0.9
284.06943	0.9
285.07477	0.7
287.05450	0.5
297.04095	0.8
299.09143	1.2
301.06982	6.4
302.07718	1.0
312.06207	3.0
313.07028	3.6
314.07394	0.5
315.04977	2.8
325.03387	0.7
327.05127	0.5
327.08563	8.6
329.06467	4.5
330.07300	6.3
339.04825	0.9
341.10251	0.4
343.04495	1.8
343.08096	0.8
344.08807	0.4
345.06091	0.6
345.09695	3.1
353.06516	0.5
355.08035	5.3
355.30338	0.4
357.05957	2.1
357.09741	0.9
358.06757	6.0
359.11258	0.9
370.10791	0.5
372.07944	0.5
373.09155	88.7
374.09488	4.6
387.10883	1.2
388.11502	11.5
403.13852	100.0
404.14139	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	401.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
57.32237	0.3
67.05480	0.4
69.03407	0.6
69.07051	0.6
71.59393	0.3
79.05476	0.5
81.07036	1.1
83.04945	0.3
85.02872	0.5
91.05464	0.3
93.07039	0.5
94.99311	0.3
95.08572	0.6
97.02827	0.3
107.08578	0.7
119.08553	0.7
121.10078	0.4
133.10144	0.4
145.06488	0.3
145.10182	0.3
147.11665	0.3
152.30234	0.3
169.68301	0.3
175.70940	0.3
177.05418	0.3
185.04282	0.4
211.58371	0.3
221.18896	0.4
236.93718	0.3
313.16147	10.4
315.01337	0.6
323.05487	0.4
373.41739	0.3
401.21402	100.0
402.21756	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	401.3043
Annotation	Testosterone enanthate
Peak:m/z	Relative Intensity
53.45853	1.0
55.05503	8.3
57.03433	30.4
57.07064	3.8
67.05500	11.1
69.07051	3.5
69.73872	5.7
71.08620	1.1
78.30865	0.8
79.05472	4.8
81.07049	12.9
82.06567	10.6
83.08604	3.5
84.08167	1.1
85.06534	11.4
91.05467	5.8
93.07041	10.3
95.08602	17.6
97.06540	1.3
97.10165	1.5
99.08084	1.2
105.07021	12.0
107.08591	10.7
109.06467	1.2
109.10133	8.7
111.08066	2.4
113.09630	36.5
117.06994	3.3
119.08575	7.1
121.06480	0.9
121.10115	5.3
123.08045	2.4
123.11690	3.3
127.11169	1.7
128.07065	45.7
129.06949	4.6
129.09059	0.9
131.08551	10.6
133.10117	10.8
135.11684	6.3
137.05913	2.1
137.09637	2.1
139.42343	1.0
141.07011	2.0
143.08563	8.3
145.10109	12.2
147.11676	8.9
149.13271	3.9
151.11183	2.4
155.08533	6.7
157.10136	10.6
159.08142	1.0
159.11673	17.1
161.13239	4.5
167.08531	2.0
168.09421	1.1
169.10089	7.8
171.11653	5.8
173.09184	7.1
173.13206	6.8
175.11188	3.9
175.14822	3.1
177.12703	1.9
181.10114	3.2
182.10942	1.2
183.11679	8.4
185.13271	8.4
187.14827	4.9
189.12643	1.1
189.16479	1.5
190.73572	1.0
191.10260	5.8
195.11652	4.5
196.12500	1.0
197.13292	5.5
199.14832	5.2
201.16441	2.1
207.11667	1.6
209.13237	9.2
211.14796	32.8
212.15475	0.9
213.16391	4.4
215.14381	1.2
221.13110	1.1
223.14883	2.0
224.15681	1.1
225.16341	3.8
226.11139	1.1
227.14285	1.1
227.17906	2.3
229.15845	6.0
229.19406	1.4
231.17490	1.6
237.16335	3.3
238.16939	1.2
239.17958	4.2
241.19679	1.2
243.21025	1.4
245.04723	1.5
245.19041	1.4
249.16394	4.6
251.17953	3.9
252.18716	2.6
253.19492	16.6
255.17326	2.1
263.18091	2.2
265.19446	3.5
267.17508	2.4
269.19061	2.0
270.19690	3.1
271.20490	11.5
277.19519	6.0
279.21176	2.0
281.22641	2.8
283.20508	1.7
289.21646	6.6
291.21066	1.5
293.22586	4.2
295.20447	1.7
299.23715	1.6
305.22501	4.7
307.24136	1.6
311.23636	3.0
323.23416	1.4
347.12689	1.3
347.27267	21.0
348.27670	1.1
365.28351	48.4
366.28647	2.4
383.29419	46.1
384.29803	2.3
401.30460	100.0
402.30768	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	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29441	26.7
70.06584	3.0
79.05482	13.4
79.16643	2.3
81.07066	2.9
85.02924	2.4
91.05482	8.3
95.04987	4.1
102.39386	2.4
107.04964	29.8
112.30895	2.2
115.05459	2.8
117.07019	4.0
120.52965	2.4
121.06474	3.7
123.04411	5.4
123.08086	4.3
124.05223	7.2
125.05963	4.0
128.90967	2.3
129.06996	7.6
131.08577	11.0
132.05707	2.3
133.06541	2.7
137.05930	3.6
141.06982	6.0
144.05721	7.5
145.06487	5.9
153.05417	2.9
156.05698	12.1
157.06526	2.6
159.08017	18.1
163.03848	4.1
167.07036	100.0
170.07120	2.4
173.05972	5.9
177.05472	3.4
181.08559	4.0
184.05215	4.6
186.06798	6.7
187.07538	8.9
193.08517	2.6
195.06552	3.1
202.06242	8.9
202.07922	3.4
204.07721	2.9
205.08485	16.2
207.06508	7.5
207.10060	3.3
208.05173	22.7
210.06783	3.9
217.08568	37.0
217.10490	2.2
218.07327	5.9
219.08051	13.6
219.10184	11.5
220.08771	4.2
221.05994	7.7
229.08572	3.9
231.08006	10.8
231.10034	4.4
233.09622	5.9
235.07495	2.7
235.11305	2.9
236.04768	6.2
238.06233	4.7
239.07001	4.1
240.04352	3.2
245.09656	4.1
247.07469	12.5
247.09671	21.5
248.08232	11.9
249.09129	5.8
251.10565	3.7
254.05714	8.5
258.06854	3.1
259.07452	3.3
260.08066	2.9
261.09137	6.0
263.07028	4.3
263.10690	9.0
264.07776	8.6
265.08691	6.6
266.05542	2.5
267.06549	6.6
268.03537	3.3
269.08078	26.2
271.09641	10.5
272.06732	3.6
275.06992	7.0
276.07825	7.9
277.08569	7.6
279.06769	3.0
279.10178	8.9
280.10803	2.7
282.06152	3.0
282.08792	18.8
287.09140	3.8
290.09390	6.0
291.10007	12.5
292.07376	7.2
293.08090	7.8
295.09921	2.6
299.09235	5.2
301.06979	3.8
305.08011	3.2
307.09741	12.9
308.10498	6.8
310.08383	10.1
315.08591	70.0
316.09140	2.6
319.09586	6.7
321.07437	3.3
323.12817	14.8
328.09390	5.1
330.11005	91.2
331.11752	12.8
336.09708	4.4
337.10800	10.8
339.12122	8.0
343.11758	31.0
351.12204	28.8
352.12851	4.2
353.10141	6.7
368.12546	12.0
369.13437	4.4
371.14883	5.6
377.01971	3.4
383.14853	56.8
401.12021	2.4
401.16092	26.4
401.21124	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	401.1591
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.25498	1.8
53.03928	4.8
54.23097	1.6
59.86199	1.7
65.03928	5.0
67.05479	4.7
69.03396	6.1
70.06596	3.6
71.04986	2.9
71.58780	2.8
72.08153	3.5
78.04707	3.2
79.05483	20.9
81.03372	4.3
81.07027	5.4
84.08113	2.3
85.02900	4.7
86.09718	2.7
91.05473	10.1
93.03403	2.5
94.04184	3.9
95.04951	20.4
95.08617	2.6
97.02882	2.2
97.06507	2.0
103.05476	1.8
105.03384	2.7
105.07016	7.1
107.04958	40.4
109.02829	3.2
109.06529	2.8
115.05440	6.8
116.06195	3.1
116.70499	2.0
117.07018	5.0
121.06467	4.0
123.04411	16.3
123.44910	1.7
124.05199	9.4
125.05965	6.5
128.06192	12.1
129.06989	12.3
131.04936	4.3
131.08533	13.3
133.02826	2.3
133.06477	3.3
137.05983	7.9
140.04680	3.6
141.06979	12.3
142.07751	2.3
143.04819	2.3
143.08562	3.3
144.05702	11.2
145.06461	8.6
146.03447	1.8
147.04332	3.3
149.05994	2.5
151.03880	7.0
151.07532	4.7
152.04648	3.5
153.01797	13.7
153.05458	3.7
153.06978	4.6
155.07039	4.6
156.05669	18.4
157.06461	7.7
158.07233	3.9
159.08041	20.9
161.05951	8.3
163.03931	3.1
165.05507	3.2
165.07043	3.2
166.04376	2.3
167.07027	97.5
168.04228	3.2
169.06480	6.7
169.08698	2.3
170.07268	21.3
171.06696	2.6
171.08061	8.7
172.05168	3.2
173.05991	11.6
175.07480	4.1
177.05489	5.8
181.04962	7.8
181.06427	2.8
181.08672	2.4
183.06516	23.2
183.08029	3.0
184.05164	5.1
186.06717	5.3
187.07545	25.1
189.05426	5.5
189.06961	2.9
189.09201	2.6
190.06229	2.5
190.07758	2.5
191.06944	6.7
191.08525	5.0
193.06464	2.6
193.08606	3.9
194.07210	2.7
195.06392	2.9
197.08014	2.1
198.06754	5.8
199.07516	4.1
201.05473	4.6
201.09105	4.3
202.06192	6.3
202.07823	3.4
203.06998	16.2
203.08539	3.4
203.10602	2.8
204.07639	2.4
205.06636	4.2
205.08607	11.7
206.07343	2.6
207.06393	3.2
207.08069	5.6
208.05122	10.3
208.08781	2.3
211.07419	3.0
215.08662	2.8
216.07765	12.0
217.08560	46.4
218.07260	6.6
218.09351	19.5
219.08049	19.8
219.10167	43.7
220.08789	7.9
221.05969	5.9
221.07884	3.6
221.09761	3.6
223.07738	2.7
226.06085	2.4
229.08594	7.3
231.08028	11.9
231.10184	34.9
232.08733	3.3
232.10779	2.6
233.05962	3.1
233.09650	6.0
234.06631	5.5
235.07512	8.0
235.11140	2.2
236.04689	3.1
236.08289	5.9
237.05441	2.4
237.09094	3.3
239.12741	2.3
241.04811	2.7
245.09546	4.2
246.06816	5.0
247.07498	22.5
247.09718	13.3
248.08258	17.8
249.05453	4.5
249.09032	7.0
249.11288	3.5
250.06390	2.8
251.10674	5.0
252.07709	2.8
254.05560	4.5
258.06799	2.7
259.07550	8.9
261.09082	6.8
262.06223	4.1
262.09784	5.1
263.07120	5.5
263.10611	11.9
264.07779	13.3
265.08624	6.6
267.06500	5.1
269.08099	12.1
271.09674	5.3
272.06845	2.8
275.07022	8.4
276.07773	13.0
277.08649	14.1
278.09100	2.6
279.06610	5.3
279.10141	14.7
280.10751	2.9
281.08157	4.0
281.11536	3.8
282.08850	5.5
289.08435	2.5
290.09384	6.3
291.10083	16.6
292.07358	5.8
292.10818	2.4
293.08044	12.1
294.08710	4.1
295.09659	5.9
296.10291	3.0
299.05832	2.3
299.09128	6.4
300.06140	2.2
305.08090	7.4
307.06119	2.9
307.09528	18.7
308.07077	2.8
308.10211	9.7
309.07693	4.0
309.11255	6.3
310.08246	3.8
310.11722	2.5
311.09033	3.3
311.12692	5.4
315.08594	35.8
319.09637	6.2
321.07874	3.9
321.11176	3.5
322.08408	4.5
322.11954	3.0
323.09073	5.1
323.12772	14.3
324.09900	4.5
325.10678	2.6
327.12030	2.7
328.09525	2.3
330.10947	44.2
331.11563	5.5
336.09912	5.5
337.10657	19.1
339.12210	11.6
339.15799	2.2
341.14072	4.1
343.11737	9.0
351.12244	23.0
352.13068	6.9
353.06329	2.3
353.10214	6.9
354.10999	4.5
355.11880	2.6
356.12717	2.7
368.12766	9.2
369.13403	36.0
371.14838	4.8
373.16647	4.7
383.07605	3.0
383.14844	64.0
401.15952	100.0
401.21069	4.5
402.16360	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	401.1571
Annotation	Asn Met His
Peak:m/z	Relative Intensity
57.43743	0.4
66.42061	0.4
72.08141	0.6
79.05444	0.4
81.03371	0.4
81.68424	0.5
98.21489	1.2
105.98836	0.5
152.07025	0.7
153.01813	0.9
165.45461	0.4
167.07033	1.6
181.04979	0.4
189.05278	0.6
204.07536	5.1
205.08228	0.7
217.08609	0.5
247.07425	0.8
291.10260	0.5
315.08542	1.2
323.12418	0.6
330.10934	1.3
383.14853	1.7
401.15674	100.0
402.15985	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	401.157
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
51.24395	0.5
56.96537	0.9
70.06563	0.8
71.04695	1.3
71.05018	0.9
78.14127	0.6
80.62906	0.7
84.08092	0.6
85.02932	0.6
86.09705	1.0
95.04951	0.7
107.04977	1.0
115.05381	0.7
121.06503	0.6
137.05962	0.9
161.05875	0.6
167.07037	2.4
170.07272	0.8
177.05434	1.1
189.05396	0.7
204.07590	3.9
219.10252	1.1
231.10210	0.6
257.06964	0.8
271.89514	0.6
275.07831	0.9
307.09616	0.8
315.08472	1.4
330.10934	1.5
336.09476	0.7
369.13449	1.3
383.14783	1.3
401.15714	100.0
402.16003	3.7
412.39032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03954	3.4
68.73705	2.1
71.05016	1.9
71.55428	2.8
71.89883	1.9
73.86507	1.8
76.16905	2.2
79.05488	16.0
81.07050	4.3
85.02884	2.7
86.09717	2.0
89.26678	1.8
91.05465	9.2
95.04971	5.8
97.02895	2.4
103.05477	2.3
105.07024	2.5
107.04944	32.7
109.02892	4.7
115.05423	3.9
117.07018	2.4
121.06503	4.7
123.04428	5.1
124.05233	7.1
125.05965	4.4
129.06979	5.6
131.04916	3.3
131.08571	6.3
132.05736	2.5
134.06032	2.7
137.06004	5.0
141.06963	6.1
144.05669	5.1
145.06487	6.6
147.04416	2.7
152.04668	3.2
152.07072	2.2
153.01816	5.8
156.05670	10.9
157.06448	4.8
159.07994	11.0
161.05974	2.6
163.03908	2.2
165.06992	3.9
167.07022	90.6
169.06476	4.0
170.07262	3.2
173.05995	6.6
175.07567	2.9
177.05472	2.7
179.06946	3.8
181.04984	3.0
183.06593	3.3
184.34230	2.2
185.04782	2.3
186.06761	4.7
187.07552	9.8
190.07758	2.5
191.07077	4.8
191.08653	3.9
193.06412	2.2
194.07259	3.4
195.06514	5.2
195.08165	3.4
197.05980	2.7
201.09167	3.6
202.07773	4.7
203.07021	3.2
204.05698	2.3
204.07722	2.4
205.06650	4.1
205.08589	15.3
207.06509	5.9
207.08179	3.5
208.05197	18.7
209.06073	2.9
210.06668	2.8
211.07535	3.6
217.08525	24.7
218.07341	6.6
219.08046	19.3
219.10193	13.9
220.08864	7.7
221.06009	10.2
229.08582	7.9
230.07278	2.3
231.08195	10.6
231.10033	3.6
232.08879	3.5
233.05980	5.2
233.09607	7.6
234.06677	5.1
234.08638	2.7
235.07521	6.7
236.04782	5.7
236.08241	5.5
236.73402	2.2
237.09064	5.2
240.04138	2.6
245.09666	6.1
246.06728	3.1
247.07542	18.7
247.09669	5.5
248.08395	18.2
249.05513	4.7
249.09085	8.4
250.06328	3.7
251.07140	2.6
251.10617	5.5
254.05728	7.4
259.07544	4.7
260.08270	2.3
261.09195	7.8
262.06058	2.8
262.09952	4.3
263.07089	8.6
263.10571	12.2
264.07770	12.8
265.08591	10.0
266.05933	3.1
267.06546	9.6
268.03693	3.3
269.08102	18.4
271.05902	2.2
271.09744	8.4
275.06909	10.2
276.07770	11.6
277.08539	9.6
278.09439	3.4
279.07129	2.2
279.10095	13.2
281.08096	3.2
282.08786	23.1
284.06702	3.2
287.09210	3.5
290.09424	5.8
291.06888	3.9
291.10080	20.8
292.07150	7.8
292.10449	2.6
293.08054	13.5
294.08734	3.5
297.07764	3.0
299.09064	8.5
300.06277	2.7
301.06985	2.9
304.07498	3.1
305.07892	5.0
306.08524	2.9
307.09561	17.2
308.06863	2.6
308.10294	9.6
309.07626	3.6
310.08249	11.7
310.11832	4.2
311.09271	3.3
311.12827	7.6
313.10645	5.4
315.08600	60.0
316.09113	4.3
318.09021	2.8
319.09448	11.2
321.07574	5.8
322.08362	4.9
322.11954	3.3
323.09204	4.1
323.12704	18.2
325.10657	6.3
328.09412	5.9
330.10931	59.1
331.11624	9.7
335.09149	3.0
336.09933	8.9
337.10452	10.7
339.12210	13.1
340.12851	3.3
343.11755	31.5
343.15540	4.1
350.11517	2.8
351.12219	36.0
352.13055	3.4
353.10086	11.9
356.12558	4.7
358.14136	14.6
368.12387	13.5
369.13315	29.8
370.14136	3.6
371.14859	6.3
373.16473	4.2
377.01459	2.9
383.14856	100.0
383.19833	5.2
384.14929	4.9
401.15881	70.6
401.20929	7.3
401.28372	2.9
402.16348	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	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29441	26.7
70.06584	3.0
79.05482	13.4
79.16643	2.3
81.07066	2.9
85.02924	2.4
91.05482	8.3
95.04987	4.1
102.39386	2.4
107.04964	29.8
112.30895	2.2
115.05459	2.8
117.07019	4.0
120.52965	2.4
121.06474	3.7
123.04411	5.4
123.08086	4.3
124.05223	7.2
125.05963	4.0
128.90967	2.3
129.06996	7.6
131.08577	11.0
132.05707	2.3
133.06541	2.7
137.05930	3.6
141.06982	6.0
144.05721	7.5
145.06487	5.9
153.05417	2.9
156.05698	12.1
157.06526	2.6
159.08017	18.1
163.03848	4.1
167.07036	100.0
170.07120	2.4
173.05972	5.9
177.05472	3.4
181.08559	4.0
184.05215	4.6
186.06798	6.7
187.07538	8.9
193.08517	2.6
195.06552	3.1
202.06242	8.9
202.07922	3.4
204.07721	2.9
205.08485	16.2
207.06508	7.5
207.10060	3.3
208.05173	22.7
210.06783	3.9
217.08568	37.0
217.10490	2.2
218.07327	5.9
219.08051	13.6
219.10184	11.5
220.08771	4.2
221.05994	7.7
229.08572	3.9
231.08006	10.8
231.10034	4.4
233.09622	5.9
235.07495	2.7
235.11305	2.9
236.04768	6.2
238.06233	4.7
239.07001	4.1
240.04352	3.2
245.09656	4.1
247.07469	12.5
247.09671	21.5
248.08232	11.9
249.09129	5.8
251.10565	3.7
254.05714	8.5
258.06854	3.1
259.07452	3.3
260.08066	2.9
261.09137	6.0
263.07028	4.3
263.10690	9.0
264.07776	8.6
265.08691	6.6
266.05542	2.5
267.06549	6.6
268.03537	3.3
269.08078	26.2
271.09641	10.5
272.06732	3.6
275.06992	7.0
276.07825	7.9
277.08569	7.6
279.06769	3.0
279.10178	8.9
280.10803	2.7
282.06152	3.0
282.08792	18.8
287.09140	3.8
290.09390	6.0
291.10007	12.5
292.07376	7.2
293.08090	7.8
295.09921	2.6
299.09235	5.2
301.06979	3.8
305.08011	3.2
307.09741	12.9
308.10498	6.8
310.08383	10.1
315.08591	70.0
316.09140	2.6
319.09586	6.7
321.07437	3.3
323.12817	14.8
328.09390	5.1
330.11005	91.2
331.11752	12.8
336.09708	4.4
337.10800	10.8
339.12122	8.0
343.11758	31.0
351.12204	28.8
352.12851	4.2
353.10141	6.7
368.12546	12.0
369.13437	4.4
371.14883	5.6
377.01971	3.4
383.14853	56.8
401.12021	2.4
401.16092	26.4
401.21124	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55215	1.3
52.16111	1.2
53.03930	2.1
55.01859	5.3
57.03426	17.5
61.02921	13.8
69.03075	2.6
69.03423	32.5
71.01329	5.2
71.04974	4.0
71.99786	1.1
73.02908	74.1
81.03395	5.1
83.04984	1.4
83.10222	1.4
85.02895	100.0
87.04447	5.9
91.03948	6.9
97.02879	49.0
97.03507	2.7
98.21578	2.7
99.04432	3.8
103.03921	2.5
109.02855	7.5
115.03915	29.4
127.02961	1.6
127.03902	30.6
133.03993	2.7
133.04944	30.9
145.04944	47.2
150.07579	1.7
157.04982	1.5
163.05994	21.6
175.03793	1.2
177.05428	1.4
183.15692	1.7
185.11765	1.3
223.06033	4.0
241.07011	6.9
251.14836	2.5
259.08099	6.3
295.10336	1.7
315.03525	1.3
316.05417	1.5
377.03342	2.8
380.21381	1.4
400.16705	1.4
409.48669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0862
Annotation	4-Demethylpremithramycinone
Peak:m/z	Relative Intensity
55.01846	1.4
55.05490	2.7
57.07043	1.2
67.05499	1.7
69.07039	1.5
69.42407	6.3
69.42818	2.5
75.08901	0.9
76.53471	1.1
79.05485	4.6
81.07044	6.5
83.08611	1.3
85.02901	1.2
85.28810	0.9
88.11850	0.9
91.05450	2.2
93.07034	1.4
93.73208	0.9
95.08564	1.9
97.06447	0.9
105.07000	3.3
107.04939	1.1
109.06483	1.5
109.10119	1.7
115.05469	1.7
119.08581	1.5
121.06436	1.6
121.10107	1.1
131.04898	1.5
131.08504	1.3
133.71136	0.9
141.07056	1.1
145.02870	1.3
159.04391	2.0
163.03836	1.1
173.05960	1.3
175.03935	1.3
177.05466	2.9
183.04460	1.1
185.05988	1.7
187.03893	3.1
195.02788	1.1
197.05809	1.4
199.03857	1.4
201.05603	1.3
203.03293	5.6
205.04932	3.5
207.08159	1.2
211.03931	2.5
213.01813	1.7
213.05354	1.8
215.03406	4.4
221.06039	1.0
225.05380	2.3
225.09131	1.1
227.03378	1.6
229.04878	1.4
231.02794	7.9
233.04472	2.6
235.07591	1.4
239.03355	2.1
240.04109	1.1
241.01117	1.3
241.04977	2.1
243.02834	3.3
245.04395	2.1
247.02332	1.6
247.07564	1.6
252.04231	1.6
253.04959	3.3
255.02882	2.5
257.04340	1.6
259.02380	8.4
261.03918	6.6
263.06949	2.3
265.08591	1.6
266.05600	1.2
267.03006	2.5
269.00687	1.8
269.04407	2.6
271.02271	1.8
273.03818	2.1
276.02612	2.0
283.02414	1.3
284.03079	1.0
285.00320	1.2
285.03848	2.3
287.01898	10.8
289.03391	32.5
291.06439	2.0
293.08011	2.4
295.06226	1.2
297.03937	2.4
299.01862	2.1
303.01318	3.2
304.01926	2.2
309.07477	2.4
311.09222	1.6
313.03448	4.5
315.01343	49.6
315.04855	4.8
316.01581	2.0
319.05978	1.4
321.07437	3.0
323.01730	2.8
327.01279	1.5
329.02905	5.2
331.00732	5.7
332.01236	1.2
333.02304	16.4
337.03323	1.9
337.06927	4.0
339.08344	2.0
340.02084	7.0
341.02762	4.9
347.05380	2.1
355.08133	2.9
357.09537	11.7
365.06494	5.8
383.07541	26.7
384.08151	1.0
398.45013	1.0
401.08606	100.0
402.09125	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	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.75129	0.8
55.01869	6.2
57.03434	19.0
58.78956	0.8
59.04979	1.8
61.02921	17.0
68.96357	0.9
69.03425	32.5
69.55468	7.5
71.01340	3.5
71.04988	2.4
73.02914	79.2
81.03420	5.9
85.02900	100.0
87.04472	4.3
89.03879	0.9
91.03960	6.1
97.02887	52.3
99.04441	4.9
103.03932	3.5
109.02872	8.5
115.03923	27.4
115.04734	1.7
127.03916	34.0
133.04956	36.3
145.04955	58.4
150.07599	2.5
157.04942	1.1
157.35078	0.7
163.05992	29.3
165.23618	0.8
166.73550	0.9
185.11655	1.3
187.06000	1.0
193.05003	1.3
199.05898	1.3
204.08617	1.1
204.68288	1.0
217.07072	1.6
223.05974	5.6
241.07065	6.6
251.14807	3.4
259.08136	8.0
277.09125	1.5
295.10104	1.9
345.39816	0.9
390.20206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
56.96547	0.8
64.40253	0.8
69.03355	0.6
70.05430	2.1
70.05832	1.2
71.08614	1.3
85.02882	1.0
85.10164	0.8
97.02896	1.9
98.20766	0.7
98.21287	1.4
98.97562	0.6
99.92525	0.6
101.05994	1.1
102.05515	0.7
109.02821	1.2
112.44928	0.6
116.98588	1.1
119.04980	0.8
129.05450	0.9
136.06142	1.6
146.99548	1.0
153.01811	2.0
155.59062	0.7
170.91777	0.6
207.06583	0.8
250.06886	0.6
250.09419	2.1
381.11295	2.9
399.12582	100.0
400.12900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
57.03433	1.7
58.90040	0.4
62.26965	0.3
69.03417	1.5
71.58010	0.4
73.02898	1.1
82.01734	0.4
85.02905	1.8
93.48116	0.3
94.04063	0.6
97.02898	0.9
99.60580	0.3
100.25617	0.4
102.09602	0.3
104.32977	0.4
109.02881	0.7
115.03925	0.8
119.03526	0.7
120.46334	0.4
133.04977	1.1
136.06169	100.0
137.04558	1.2
137.06590	0.8
208.16901	0.4
268.10391	5.7
271.65933	0.4
400.14539	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98279	2.4
55.01862	10.1
55.55358	1.9
57.03434	18.8
57.95146	2.2
58.06590	2.4
61.02922	20.3
69.03421	32.7
69.07054	9.0
69.07412	2.3
70.06569	2.2
71.01337	4.8
71.35030	4.7
72.08124	4.1
73.02914	100.0
79.05468	4.7
81.03394	8.6
81.07031	8.4
83.18050	2.2
84.08137	6.8
85.02899	98.9
85.06538	4.2
86.09717	2.5
87.04425	6.8
91.03934	4.6
91.05474	3.2
93.07050	5.3
95.04945	2.7
95.08606	3.6
97.02883	56.0
97.06517	2.9
105.07016	6.3
107.08612	3.2
109.02849	11.0
111.08068	4.7
112.11242	7.2
113.11526	3.9
115.03913	34.8
117.03413	4.5
120.54379	2.1
123.08131	3.5
127.03912	28.5
129.13857	5.2
133.04951	35.0
135.08084	3.7
137.30116	2.3
145.02847	8.7
145.04953	48.8
146.03114	3.7
150.05406	2.9
150.07536	3.9
153.09067	5.4
163.03838	3.2
163.06017	30.0
165.09152	3.9
177.05440	15.4
177.09019	4.2
178.05743	5.4
183.10150	6.5
195.10184	7.5
201.11192	3.9
213.11243	6.7
223.05971	7.9
230.86665	2.1
241.07098	6.6
259.08078	6.6
293.26105	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.7
56.96539	1.7
57.03429	17.7
58.06570	2.2
59.04992	2.9
61.02916	12.0
69.03420	41.9
69.07059	32.3
70.06581	2.9
71.01340	2.8
71.04981	3.1
71.58808	2.7
72.08129	4.3
73.02908	83.4
79.05498	2.5
81.03397	11.9
81.07050	2.8
83.04947	1.6
84.08128	16.2
85.02892	100.0
86.09665	2.8
87.04453	9.0
89.03902	8.1
90.04250	2.3
91.03932	4.8
91.05488	4.1
93.07016	3.2
95.04953	2.5
95.08550	1.9
97.02878	60.1
99.04423	5.6
103.03931	3.0
107.04958	5.3
107.08565	1.8
109.02875	9.3
110.07143	2.9
111.08070	4.4
112.11233	21.5
113.11593	4.2
115.03918	34.4
117.03371	12.4
118.03702	2.6
119.04901	3.7
119.08535	1.7
122.05254	1.8
123.04454	1.5
123.05473	2.2
127.03899	36.0
129.13849	13.4
130.14209	2.5
133.04950	46.7
133.05937	2.8
136.07663	1.4
136.55772	1.9
137.09589	1.7
145.02864	24.2
145.04936	57.8
146.03226	7.5
147.04410	4.5
149.05968	3.6
150.06377	1.8
150.07520	3.1
153.01791	1.7
153.09103	2.1
155.11807	2.2
163.03879	1.9
163.06007	26.0
165.09111	2.7
167.07043	8.0
168.07384	3.9
171.10165	1.5
177.05444	35.7
178.05754	10.4
179.05902	1.7
181.28940	1.6
183.10193	2.7
193.04958	1.6
199.05980	1.9
199.98526	1.8
201.11214	4.1
207.06505	2.8
213.11177	2.0
217.07085	2.0
223.05937	9.7
228.37186	1.4
236.09123	2.0
241.07025	9.9
248.13693	1.7
259.08047	11.5
267.00958	1.6
277.09174	3.8
290.13989	2.2
295.10223	5.2
392.95590	2.7
394.99048	2.1
398.13635	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	397.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
56.96570	0.5
61.02886	0.5
63.05040	0.4
67.05483	1.0
69.03418	2.2
69.07062	1.2
70.81596	1.5
77.00889	0.5
79.05470	1.0
81.03384	0.6
81.07033	0.9
83.04976	1.4
83.08600	0.6
84.08137	1.0
85.02902	2.1
89.03899	0.6
91.05469	1.9
93.07058	1.0
95.01939	0.7
95.04985	0.9
95.08589	1.6
97.02857	0.8
100.11264	2.4
105.07004	1.8
107.04923	1.0
107.08544	1.3
109.10190	0.6
112.11214	1.0
114.09163	1.5
119.01897	1.5
119.04942	4.0
119.08569	1.9
121.10138	1.3
127.74660	0.5
128.06207	0.5
129.13866	1.0
131.08568	0.6
133.06442	0.7
133.10118	3.0
137.09610	0.7
142.08699	0.8
145.02843	1.8
145.10127	1.1
147.08063	0.6
147.11670	2.4
149.06003	0.6
149.09610	0.6
149.13277	0.9
156.09335	0.9
157.10104	1.7
159.08035	0.7
161.09599	0.8
167.07056	0.7
171.11687	1.2
173.09634	0.7
174.10446	0.6
177.05457	3.5
182.15428	1.6
189.12688	2.6
199.11169	0.6
207.06503	0.7
209.16505	0.7
210.14891	0.8
217.12216	14.0
235.13228	3.5
235.17018	1.5
241.33231	0.5
269.12421	0.7
271.13873	2.2
295.13943	1.3
307.14111	0.6
325.14960	0.8
340.56232	0.6
397.18250	100.0
398.18509	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	397.3461
Annotation	Ergosta-8,14,24(28)-trien-3beta-ol
Peak:m/z	Relative Intensity
53.17888	6.9
55.05505	20.8
56.19728	8.4
57.07069	20.4
59.63324	7.6
67.05497	32.8
69.07057	26.2
70.23352	37.3
71.08630	17.0
75.56274	7.4
77.26189	6.3
81.07059	47.9
83.04980	8.0
83.08617	13.4
84.09891	8.1
91.05476	20.2
93.07023	24.4
95.04953	7.9
95.08589	45.6
97.10116	11.5
105.07025	26.2
107.08601	15.3
109.06522	7.2
109.10163	20.3
119.08578	25.4
121.10163	15.4
123.11720	10.1
131.08559	21.7
133.10110	21.1
141.93629	9.5
142.07791	9.1
143.08597	13.0
145.10100	18.0
147.11703	20.0
157.10080	56.7
159.11702	23.6
161.13297	12.8
171.11671	19.2
187.14787	8.4
199.14713	9.0
201.22935	7.6
253.19395	12.2
262.89435	8.2
295.24054	9.0
332.98434	9.6
340.90475	8.8
350.94733	11.7
379.33414	53.2
392.95740	12.0
397.34573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03349	3.3
55.05501	19.2
57.03422	4.9
57.07060	5.3
61.02947	3.5
63.34676	3.7
67.05499	33.6
69.06723	3.8
69.07050	24.4
71.08625	4.6
71.59071	4.7
79.05489	27.3
81.07047	66.7
83.08616	16.2
91.05476	18.1
93.07040	48.0
95.08597	67.1
97.02855	4.7
97.10138	8.6
99.08028	5.0
99.37066	4.4
101.93702	3.8
105.07010	32.8
107.08593	52.7
109.10149	38.3
110.09296	3.7
113.09640	18.8
117.07003	8.7
119.08572	40.9
121.10147	39.0
123.11679	21.7
131.08569	15.1
132.30986	5.1
133.10117	34.4
135.11687	31.9
141.12712	28.8
143.08531	8.7
145.10124	19.8
147.11664	39.1
149.13239	27.3
157.10094	5.4
159.11736	23.9
161.13239	44.9
163.14793	18.6
171.11710	7.9
173.13264	14.6
175.14810	24.5
177.11578	3.8
177.16426	8.8
180.64996	4.3
184.07355	8.8
185.13197	7.5
187.14836	11.2
189.16393	19.4
191.17902	4.2
201.16400	15.4
203.17952	13.6
215.17911	21.3
217.19542	8.8
229.19534	8.5
243.21141	9.6
255.20909	6.1
257.22641	10.6
261.22214	9.2
286.89658	5.5
311.27615	4.4
350.94824	11.8
375.44394	4.4
379.33649	10.3
392.96167	4.9
394.80261	3.8
397.26672	6.3
397.34628	100.0
397.39484	7.9
398.35306	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	397.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
55.93516	4.8
56.94308	1.7
59.64159	1.4
67.05498	6.8
69.07049	2.6
70.95847	7.7
71.04984	1.7
71.59393	1.6
71.59772	1.9
71.92989	1.7
72.93777	13.4
79.05479	13.2
81.07047	5.8
83.04939	1.7
88.96902	4.1
90.94817	14.3
91.05476	6.1
93.07051	4.2
95.08597	3.6
98.51012	1.4
105.07022	4.0
107.08585	5.1
108.95837	8.0
109.10175	3.5
111.07995	1.5
116.96339	4.2
119.08578	2.4
121.10134	1.8
125.04459	1.3
126.98460	1.4
128.96315	2.2
130.97911	1.9
134.97380	3.6
138.98409	3.0
142.97926	3.0
144.95775	2.5
144.99483	2.4
145.10060	2.0
146.97380	3.5
148.99011	3.6
151.02020	2.9
151.97610	1.6
156.99402	2.7
158.97453	2.6
159.11778	2.0
160.98950	2.0
161.99997	1.7
162.96884	3.9
164.99863	1.9
166.97876	1.6
168.99498	2.1
170.97357	2.4
171.01031	3.1
172.98987	2.3
176.98468	3.7
176.99936	2.0
178.97977	2.0
179.01512	5.5
180.99437	1.5
184.99017	1.7
187.00499	5.2
192.99457	2.5
197.02599	1.8
199.00482	1.9
205.01611	1.9
215.03568	3.1
225.02159	4.2
227.03606	7.3
243.03096	11.1
244.88461	1.9
245.04681	100.0
246.05113	1.6
259.06229	9.4
261.04019	2.5
262.89496	6.8
263.05817	13.6
268.06195	12.0
271.06241	1.7
271.17126	1.7
273.04099	3.9
275.05759	2.4
281.08350	5.2
286.89478	5.0
299.09219	2.0
308.93536	2.1
329.11929	3.1
345.11420	2.1
347.12982	22.4
349.14487	3.8
350.94653	12.7
351.94623	1.7
365.14090	21.3
388.15799	2.9
392.95728	3.1
397.16602	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	397.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.96545	1.0
67.05524	1.1
69.03414	2.2
69.07069	1.0
71.58837	1.9
79.05495	1.1
81.03410	2.5
81.07049	1.9
83.04970	1.6
84.08134	3.5
85.02885	2.4
89.03909	9.5
91.05467	3.7
93.07072	2.3
95.04994	1.7
95.08589	1.4
97.02870	1.2
100.11221	0.9
103.54066	1.0
105.07022	1.8
107.04965	1.2
107.08617	2.0
112.11230	3.6
117.03373	19.1
117.56576	0.8
119.04941	2.3
119.08633	1.9
119.84464	1.1
120.66143	0.9
121.10164	1.7
123.26958	1.0
129.13882	4.1
130.06488	1.0
133.10144	1.7
134.03656	2.2
135.04398	2.1
137.05972	2.9
145.02832	54.2
146.03162	2.3
147.11801	1.0
149.05978	7.1
153.01836	2.5
157.07629	2.0
158.06029	1.2
159.09264	1.0
159.11708	1.1
167.07050	2.6
175.03973	1.6
175.11264	1.2
177.05450	100.0
178.05852	4.1
185.04199	8.9
186.05536	1.3
203.08133	6.3
207.06540	3.3
217.15898	2.2
235.13028	83.8
235.16971	3.4
236.13326	1.9
262.89526	2.2
271.13953	1.1
273.11084	2.2
286.89532	1.4
300.97748	1.1
307.22452	1.1
350.94675	1.7
354.14777	1.0
374.98135	4.0
392.98849	4.4
397.18320	67.8
398.18594	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	397.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38013	0.8
54.24668	1.0
55.01874	1.0
55.05489	1.1
55.93519	10.8
56.94297	2.5
56.96568	1.4
62.62300	0.8
64.40398	0.8
67.05515	6.1
69.03423	1.2
69.07054	1.3
69.82711	4.6
70.40726	0.7
70.95865	5.0
71.04988	2.3
71.08628	0.8
71.20400	0.8
71.92995	3.5
72.93780	11.9
77.18727	0.8
79.05490	3.0
79.57092	0.9
81.03435	2.0
81.07047	4.0
85.06538	1.2
88.96883	1.9
90.94820	9.9
91.05470	2.7
92.82899	1.0
93.07037	3.2
95.04966	1.6
95.08614	1.5
97.02879	0.9
97.06544	4.9
98.21478	1.5
99.96890	0.7
104.07071	1.0
105.07035	3.3
105.93491	0.8
107.08592	1.7
108.95854	5.3
109.10140	1.4
113.96384	1.6
117.07030	1.0
119.08540	2.7
121.10105	1.4
125.96140	1.3
128.96321	2.8
129.06961	0.9
130.97885	1.4
131.98683	3.1
132.95860	1.1
134.97440	1.5
138.98427	1.6
143.08530	1.1
144.95833	2.0
144.99438	1.3
146.97359	1.9
148.61870	0.9
148.98969	3.0
150.98460	0.9
151.02037	1.5
151.97684	1.2
154.97917	1.3
158.97360	1.6
159.11655	1.1
162.96881	2.4
165.00017	3.3
165.03612	1.3
165.97142	2.0
166.97932	2.3
168.99451	1.4
171.00900	1.0
172.98911	2.2
176.98476	1.3
178.97833	1.3
179.01529	1.7
179.98701	0.9
180.99496	1.5
182.97543	0.9
183.98180	1.6
185.99832	1.1
186.01218	5.7
187.00508	1.7
189.03645	1.1
199.02058	2.4
200.02792	1.4
201.03610	9.8
203.05186	1.4
207.01042	0.9
215.03526	1.0
217.03102	1.3
229.05246	1.9
245.04758	11.9
249.05661	1.1
259.06122	1.1
262.89429	2.8
266.06079	1.4
267.06787	4.9
268.06259	1.3
271.06335	2.7
279.06873	3.0
281.08313	100.0
282.08536	2.7
284.07123	1.8
285.07828	3.8
286.89471	2.8
287.89246	1.1
298.11084	1.1
299.09378	35.2
300.09454	1.3
321.11575	1.6
322.11032	13.0
327.09833	0.9
329.12085	2.1
347.12964	11.5
350.94623	6.0
365.14093	1.7
379.15613	3.3
392.95486	2.1
397.16672	5.0
397.21802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70840	1.8
55.01860	2.2
55.05507	3.3
55.93521	11.1
56.94304	3.6
56.96563	2.3
61.02908	1.8
67.05503	11.0
69.07050	4.0
70.95861	12.1
70.99960	2.2
71.60043	1.8
71.93011	2.0
72.93776	28.1
79.05499	8.9
81.03414	4.4
81.07040	7.8
81.46641	1.7
83.04963	2.2
88.96896	6.1
89.94064	2.1
90.94807	22.0
91.05462	7.3
93.07040	6.5
95.04999	2.0
95.08610	5.4
97.24410	1.8
103.69297	1.9
105.07020	4.8
107.08589	4.0
108.95869	5.5
113.96432	2.9
116.96373	3.3
117.07015	1.7
119.08591	4.6
121.10152	2.0
123.26135	1.9
126.98439	2.7
128.96341	4.9
130.97899	2.4
131.08531	1.7
134.97400	3.3
136.95343	2.2
138.98395	4.4
142.97917	2.4
143.23726	2.0
144.95741	4.7
144.99416	2.8
146.97394	6.6
147.11752	2.0
148.98944	5.2
150.98500	2.0
151.02054	3.7
154.97829	3.9
155.01506	1.9
156.99304	2.3
158.97398	2.8
160.98900	2.3
162.01265	2.4
162.96841	5.0
164.99976	2.5
166.97868	2.9
167.98616	2.1
168.99397	3.2
170.97450	2.7
171.01056	2.3
172.98964	5.4
176.98447	2.4
179.01543	7.6
182.97330	2.2
183.04819	1.8
183.98225	2.1
184.98906	4.8
186.96901	2.3
187.00528	6.9
192.99443	3.2
196.99106	2.1
199.00456	5.2
199.04143	2.7
215.03632	5.4
216.52026	2.1
225.02104	3.5
227.03703	7.9
243.03175	9.5
245.04697	100.0
246.05128	2.8
255.03479	2.0
257.04843	2.4
259.06332	6.5
262.89365	6.1
263.05737	13.0
263.89941	2.5
267.06561	2.2
268.06195	11.6
271.06143	2.3
273.04214	12.2
274.04895	2.1
275.05719	14.9
286.89423	8.6
288.02859	2.1
298.07565	2.8
304.90527	3.0
329.12057	4.9
347.12982	35.3
349.14551	13.6
350.94666	14.8
351.94702	3.0
365.14093	29.2
392.95605	2.8
397.16742	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	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
52.86850	1.3
53.03943	1.4
55.01855	2.0
55.05497	1.5
56.26884	1.8
63.90391	1.3
65.03937	1.7
67.05482	2.6
68.11898	1.3
69.03418	3.9
71.59618	2.4
77.78761	1.4
79.05484	3.8
81.07036	3.5
84.08119	5.9
85.02898	4.5
89.03904	4.2
91.05474	13.7
93.07029	2.2
94.04202	3.1
95.04961	3.1
95.08602	2.3
97.02849	2.2
98.97550	1.3
103.05463	4.5
105.07006	3.8
107.04932	5.7
109.06487	4.4
111.93987	1.4
112.11242	8.5
112.36536	1.3
115.05460	2.7
117.03381	9.4
119.01907	3.1
119.04948	8.3
121.06531	2.1
121.10135	1.4
122.03619	7.2
123.08051	12.3
128.06200	4.9
129.06967	5.5
129.13895	8.1
131.04932	3.8
131.08560	5.0
133.06474	1.7
133.10083	1.3
134.99640	1.6
136.05171	2.2
137.05968	95.2
138.06325	2.1
141.06985	4.0
142.07791	1.5
144.05669	1.8
145.02849	17.6
145.06422	3.3
147.04401	4.2
147.11771	2.1
149.06003	7.0
151.07530	12.8
152.06146	1.8
153.01808	3.1
153.06966	2.1
154.07690	1.8
155.08533	4.8
155.11729	1.6
157.06439	3.7
157.10023	1.6
158.07204	4.9
159.08070	7.2
161.05968	14.6
161.09621	3.0
163.07527	3.1
165.06970	5.8
167.07031	6.3
167.08549	3.7
169.06461	5.4
171.08043	6.5
172.05147	1.9
172.08804	4.0
173.09648	2.8
175.03883	2.1
175.07549	2.9
177.05457	23.4
178.05818	2.0
181.06383	2.4
182.07199	6.7
183.08043	5.0
184.05135	1.9
184.08803	3.7
185.09618	9.8
187.05959	1.7
187.07475	7.8
187.11224	2.2
189.09084	4.3
191.07036	7.2
193.06473	2.5
194.07280	1.8
195.08049	4.0
197.05936	2.3
197.09651	9.6
198.06752	15.3
198.92583	1.6
199.07581	8.8
199.11171	2.3
200.08200	3.1
201.09134	3.4
202.07782	2.6
203.08574	1.6
205.08583	2.6
209.09659	1.8
210.06729	2.7
211.07536	3.5
212.08264	4.3
213.09125	21.0
215.08734	2.8
215.10507	7.6
217.08473	2.2
217.15907	2.1
224.08241	2.0
225.09041	12.4
229.08412	2.1
231.08052	2.7
231.10046	1.8
232.08835	2.6
233.09599	2.8
234.11212	1.9
237.08893	1.6
242.07280	2.0
243.07982	2.8
243.10139	19.4
245.09560	6.0
248.08292	3.3
249.09114	2.9
253.12822	1.8
255.10118	9.1
257.09470	2.2
259.07657	2.5
260.08435	3.7
261.09064	5.9
262.09790	3.0
264.07938	2.7
265.08588	4.4
271.07486	4.2
271.13818	2.8
273.11258	58.7
274.09631	2.0
275.02158	2.6
275.07449	1.5
275.10608	5.2
276.07782	5.3
277.08551	4.9
278.09235	3.8
279.10394	1.8
279.13724	1.7
285.08960	2.4
288.07877	3.2
288.10992	1.5
289.08530	3.7
289.11972	3.5
290.09128	2.6
291.10098	8.8
292.07205	3.6
292.10760	2.8
293.08008	6.6
293.11676	4.7
295.13742	2.6
301.08594	2.9
302.09460	2.6
303.09946	8.4
304.10904	3.2
305.08282	1.9
305.11591	6.1
306.08862	2.9
307.09659	15.5
307.13098	2.6
308.10321	10.3
317.11636	5.5
318.08853	1.7
319.09561	2.6
320.10312	3.0
321.11194	10.0
325.10690	4.6
333.11145	6.0
334.11945	3.1
335.12662	11.9
336.13510	4.2
337.14166	2.1
339.12164	6.3
347.12527	1.8
349.14377	6.2
350.94586	1.8
351.12173	18.0
351.15952	2.3
353.13727	3.8
354.14648	22.8
355.14975	2.0
361.14188	3.5
365.13589	2.0
367.15286	5.6
379.15439	16.0
397.16470	100.0
398.16797	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	397.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
56.26650	2.5
64.10732	2.4
69.03400	5.4
70.89098	4.5
74.35784	2.3
75.04451	9.5
75.05384	2.1
79.05478	2.8
81.03418	3.0
81.07039	3.9
83.04985	2.9
84.08134	3.8
85.02877	6.6
89.03884	7.1
91.05444	5.8
95.08576	4.6
98.97600	3.1
99.04419	3.0
105.03342	2.8
105.07045	2.4
107.08555	2.8
112.11229	5.4
113.02289	5.6
117.03359	9.3
125.02298	3.1
129.13861	5.8
131.03375	5.1
133.02843	4.5
137.02290	3.5
137.05917	14.4
137.09624	5.7
141.01822	10.0
145.02809	21.1
147.04352	8.9
149.05894	4.5
149.09525	2.8
153.01781	5.8
159.04364	2.6
161.02354	15.5
161.05928	6.0
163.03816	4.2
165.01817	11.4
167.03358	2.8
167.07037	5.3
170.50711	2.4
173.02338	8.7
175.03940	6.6
177.01854	4.5
177.05434	28.4
178.02666	3.7
178.05823	2.3
181.01324	14.0
182.02010	4.9
187.05936	5.2
187.07486	2.6
189.01801	24.0
190.02592	9.0
191.03371	5.8
191.06866	2.5
193.01308	6.9
193.04991	4.2
196.03471	3.1
197.04347	4.6
199.00201	19.1
201.01804	53.5
202.02379	2.9
203.03308	12.0
205.01335	6.9
205.04901	6.1
206.02068	7.6
207.02827	6.3
209.00768	9.1
213.03841	4.7
217.01306	24.2
217.15845	10.7
218.02068	16.9
219.02849	3.1
221.04359	17.2
221.15811	2.4
225.03911	40.2
226.99696	30.9
227.05460	15.5
229.01292	53.1
231.02832	15.5
233.04404	27.5
234.01559	10.2
234.05032	3.7
235.02440	3.3
241.03391	6.9
244.00026	4.9
245.00807	74.3
246.01462	13.5
247.02335	10.1
249.04016	14.0
254.99225	4.4
257.00739	19.2
259.02399	20.2
260.03207	3.4
261.03906	76.3
262.01041	3.4
263.01837	22.8
264.45425	2.6
271.99493	6.0
273.00238	51.7
273.11252	6.2
275.05356	3.9
277.03397	57.8
282.98587	5.4
286.09631	3.7
287.01843	86.9
289.00476	4.5
289.03384	46.1
291.01328	8.8
291.04980	17.2
291.10342	2.6
300.99792	55.5
305.02881	88.9
315.01331	100.0
319.00772	8.2
319.04434	29.0
321.06021	4.2
333.02377	22.5
337.05533	28.1
337.78348	2.9
347.03766	17.4
351.03320	5.9
351.07071	13.8
351.10852	2.5
365.04858	6.6
379.15344	4.0
397.16693	12.3
397.21655	3.4
404.07620	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	396.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97216	0.5
60.04509	1.2
66.04723	0.5
69.98994	2.3
73.33537	0.5
79.05499	0.7
79.41344	0.4
81.07040	1.0
81.16060	0.5
91.05458	1.5
94.04189	2.5
95.30747	0.4
102.42863	0.5
122.03643	7.9
137.05968	100.0
138.06302	2.1
165.29906	0.4
172.27072	0.5
180.49829	0.4
194.97388	1.4
207.29617	0.4
212.98387	2.3
226.95604	1.1
244.96556	1.3
260.04980	1.2
286.89532	0.5
298.27222	0.5
345.10318	0.9
350.94699	1.4
360.12613	1.2
378.13617	2.9
396.05048	0.7
396.10233	14.1
397.10526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	24.8
57.20450	16.2
60.14831	15.6
67.05495	33.6
69.07068	95.5
71.60007	19.0
79.05479	18.6
81.07039	34.9
83.08607	22.6
85.02888	20.6
87.49900	14.2
88.03962	17.9
89.06020	27.7
91.05418	15.5
93.07043	19.6
94.27652	13.3
95.04957	48.5
95.08590	26.7
98.06068	19.2
105.07001	30.6
107.08588	21.2
109.10164	28.8
111.11716	69.3
119.08636	20.8
129.12750	100.0
133.10091	15.8
134.04524	16.2
135.11681	15.1
159.22403	15.5
199.16983	23.0
262.89432	33.3
269.24442	18.2
277.00464	16.3
286.89490	22.0
350.94705	45.0
391.09708	17.5
396.27539	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.7
57.07064	15.6
67.05173	2.3
67.05495	25.5
69.07063	25.8
70.65421	4.4
70.65788	3.8
71.08620	17.1
75.18906	2.0
79.05483	12.2
81.07044	61.1
83.08611	14.8
85.10168	9.4
91.05469	22.0
93.07040	15.0
95.08593	34.6
97.10150	9.7
98.20836	2.6
105.07029	27.7
107.08580	16.8
107.98753	2.3
109.10149	19.7
111.11704	8.8
117.06998	16.3
117.72527	2.4
119.08569	12.4
121.10141	10.2
123.11695	9.3
131.08540	19.0
133.10129	28.7
135.11679	6.5
142.07765	3.2
143.08525	6.6
145.10114	50.5
147.11703	23.0
149.13245	4.6
157.10075	11.4
159.11671	38.7
161.13268	9.1
163.14798	3.0
171.11681	3.6
173.13214	13.2
175.14804	2.4
185.13272	5.2
187.14832	2.8
199.14850	5.6
201.16302	3.8
205.25043	2.2
213.16359	6.7
227.17888	2.8
241.19449	7.3
255.21107	5.2
300.92935	2.2
349.61255	2.4
368.58026	2.3
395.36694	100.0
396.36758	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	395.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29929	3.3
70.30325	2.6
84.08137	1.6
84.84872	1.4
96.92240	4.5
101.00900	6.0
105.00330	1.3
113.00900	3.8
117.04046	2.8
119.01913	29.2
119.02682	2.1
121.03510	2.0
127.02385	2.9
131.01894	24.1
133.03471	3.4
135.05077	4.3
137.02948	7.1
141.03961	1.9
143.01924	3.4
145.03450	27.2
147.01401	1.7
147.05090	2.6
149.02956	8.4
155.01976	3.9
159.05017	11.2
161.02914	8.2
163.04549	9.8
163.49832	1.4
169.03421	14.7
169.04639	1.5
171.01358	2.8
171.05037	11.3
173.02997	12.6
178.89236	1.6
181.03516	5.7
185.02989	1.9
187.04500	34.2
187.06180	1.7
188.04779	2.2
189.02451	9.0
189.06142	3.5
191.04059	1.8
197.02919	2.0
199.04500	16.8
203.03804	2.1
203.05400	5.5
207.01736	1.7
207.03529	3.3
210.06024	1.5
213.02530	5.5
215.05333	5.7
217.05600	2.6
221.05238	2.8
225.02571	4.1
231.03479	13.1
233.04550	2.3
233.06425	11.8
234.64775	1.5
243.03641	4.3
257.01501	2.4
261.04700	2.0
275.02460	30.5
275.05621	1.6
276.02756	1.7
279.09540	1.7
287.02451	28.9
288.02893	2.7
293.03479	15.4
293.06509	1.6
303.02109	2.7
305.03561	10.9
311.04657	1.7
313.42270	1.5
363.08563	1.6
377.06244	3.9
377.10733	2.5
395.11688	100.0
396.12436	3.6
396.33560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77380	0.7
56.96566	0.8
57.74284	0.6
58.06585	2.2
67.59998	0.7
67.75437	0.7
71.58593	1.0
72.08140	1.6
81.03429	0.8
84.08138	7.0
85.02898	1.0
91.05486	1.2
112.11226	14.8
112.11949	1.2
113.29623	0.7
119.04943	2.0
129.13861	10.8
133.02798	4.6
134.99655	0.7
145.02838	1.6
147.04413	1.4
151.03848	1.0
152.16994	0.7
153.01820	0.9
161.02330	4.4
166.96770	0.7
174.32420	0.7
175.03909	2.1
177.05457	2.6
185.02795	0.8
185.04143	4.8
193.04959	6.0
199.88350	0.8
202.15254	0.7
203.22334	1.1
207.06546	1.3
217.04802	1.3
232.07042	12.4
232.09210	1.3
233.07796	10.2
250.08240	1.0
250.10555	3.5
251.08981	0.9
321.18060	2.3
336.18506	0.8
364.11310	1.9
383.84161	0.8
395.13080	100.0
395.26477	11.1
396.13199	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	395.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.96558	0.5
63.89960	0.4
67.05477	0.6
67.65807	0.3
69.07056	0.9
71.60094	0.6
81.07047	1.0
83.08598	0.5
84.08111	0.6
85.02864	0.4
85.27645	0.4
91.05515	0.4
92.59223	0.4
93.07052	0.8
95.08597	0.8
97.02875	0.4
103.50934	0.3
109.29164	0.4
112.11227	0.7
117.95940	0.4
119.45049	0.4
121.10110	0.5
134.04514	0.5
134.18677	0.4
135.11749	0.4
139.99481	0.3
142.54047	0.4
153.01830	0.5
159.08289	0.4
162.30283	0.4
177.05493	0.4
183.15771	0.5
196.13400	0.7
253.11862	0.4
253.15849	0.4
395.20374	100.0
396.20694	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	395.2036
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
51.00749	0.3
55.05489	0.5
56.96537	0.5
67.05470	0.6
67.24825	0.2
69.07069	0.4
70.70945	0.6
70.71314	0.6
79.05484	0.5
81.03382	0.3
81.07035	0.8
84.08118	0.4
85.02881	0.6
86.98731	0.3
91.05466	0.8
93.07031	0.3
95.04951	0.3
95.08589	0.8
97.02924	0.4
104.99248	0.8
105.07018	0.4
107.08584	0.7
109.10148	0.4
116.98560	0.4
119.08585	0.4
133.10155	0.4
159.11674	0.5
159.61305	0.3
161.91307	0.3
171.11703	0.4
204.70731	0.3
233.15211	0.4
256.58649	0.3
283.02423	0.4
333.23633	0.4
395.20352	100.0
396.20718	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	395.2041
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
55.48943	0.3
56.96576	0.3
60.13551	0.3
67.05473	0.4
69.03436	0.3
69.27713	0.2
70.91570	0.4
70.91890	0.4
72.93797	0.3
79.05466	0.3
81.03362	0.3
81.07074	0.4
85.02888	0.5
91.05428	0.5
93.07041	0.5
95.08585	0.3
97.02887	0.5
105.07029	0.9
107.08614	0.4
108.09417	0.3
109.10125	0.6
112.11224	0.4
135.11644	0.3
135.20757	0.3
137.05977	0.4
201.03696	0.5
203.05209	0.3
233.15186	0.5
294.00662	0.3
302.49936	0.3
335.31165	0.3
352.49323	0.3
388.03714	0.3
395.20383	100.0
396.20752	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
57.07068	43.7
67.05485	2.3
69.07052	3.3
71.08620	27.6
71.59493	0.9
73.06532	4.8
74.05090	0.6
79.48727	0.7
81.07025	2.0
83.08591	3.8
85.10170	20.7
86.09662	1.0
87.04448	1.8
89.06019	100.0
90.06376	0.8
95.08594	2.3
97.10147	3.4
98.98476	2.1
99.11691	3.8
100.81696	0.7
107.07066	6.7
109.10111	1.3
113.13244	1.1
117.09117	1.3
119.08578	1.0
130.08640	3.7
133.08588	38.0
145.86922	0.8
151.09644	2.5
155.00964	4.9
155.17935	2.0
162.47734	0.7
177.11188	7.7
179.03383	2.0
180.03709	0.8
195.12256	2.3
199.20439	0.8
229.25810	0.7
239.14832	8.7
240.49414	0.7
243.23138	0.9
304.91302	0.7
393.31412	1.4
393.35864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
55.05469	0.8
56.96528	0.6
67.05472	1.6
69.07027	1.9
70.06551	0.6
70.29117	0.7
71.04974	1.0
71.59960	1.2
73.02888	0.6
76.10360	0.5
81.03386	1.2
81.07024	1.8
83.04942	0.8
84.08149	1.1
85.02900	0.7
91.05448	2.1
93.06998	1.6
94.06549	0.8
95.04917	0.9
95.08586	1.3
97.02876	0.9
99.00794	0.8
100.11195	0.9
103.01811	0.7
105.07008	1.2
107.08553	0.7
108.02060	0.9
112.11213	1.4
116.98640	0.5
119.04913	1.0
119.08549	1.2
121.06494	0.6
122.05982	1.6
123.08058	0.6
129.13876	0.9
133.02827	0.7
134.04457	1.6
136.01462	0.8
137.05989	0.9
145.02808	1.0
147.04352	2.5
148.01617	0.8
153.01823	0.8
154.02628	0.7
156.77725	0.7
159.00743	1.5
159.11655	0.9
161.02281	2.5
161.05977	0.8
162.03192	0.9
163.03902	1.6
163.07544	0.9
175.03841	1.4
176.00993	1.6
177.05467	1.4
182.02014	0.8
187.00208	2.0
187.03854	0.8
188.01015	1.6
189.01816	11.3
190.02554	0.7
191.03416	4.1
192.00546	1.5
193.01285	0.8
193.04956	0.8
194.01973	0.6
195.61931	0.6
203.03326	4.6
204.00526	1.8
204.04161	0.8
205.01289	4.5
206.01958	1.0
207.06549	0.8
214.99672	2.6
215.10745	0.5
216.00462	2.9
217.01306	35.3
218.01999	1.5
219.02873	8.2
220.03677	1.4
221.04494	1.3
222.01532	1.2
223.02466	2.9
231.02843	6.2
231.99937	1.9
232.03664	1.7
233.00801	17.3
233.11514	2.6
233.15239	0.7
234.01454	0.6
235.05870	1.0
238.01701	0.9
242.99226	1.2
244.00058	1.1
245.00832	1.3
245.04544	0.8
247.02390	12.5
248.03148	13.2
249.03833	1.6
251.05486	2.0
259.02377	4.2
259.99506	12.5
261.00256	2.2
262.01013	1.1
263.01849	1.0
263.05441	0.9
275.01834	44.4
276.02606	34.3
277.03253	1.6
279.05008	7.5
287.98987	14.9
288.02213	0.9
289.00043	0.7
291.04965	19.5
293.02872	0.7
303.01321	84.6
304.01575	2.3
307.04453	7.0
331.00711	1.9
334.03149	0.8
335.03949	10.5
349.05569	1.6
363.03476	2.9
377.05222	1.5
377.17340	0.7
395.06061	100.0
395.16653	2.1
395.24405	2.3
396.06381	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54121	0.6
68.20365	0.6
69.88547	2.3
69.88958	1.2
81.07061	0.7
91.05477	0.6
93.06968	0.8
93.21175	0.6
99.04149	0.7
106.78671	0.6
133.10077	0.7
185.13393	0.6
233.88586	0.5
301.14240	0.8
375.18185	0.7
393.18781	100.0
394.19177	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	393.1877
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
57.28792	0.5
59.30069	0.4
67.07088	0.5
71.44117	1.0
82.71122	0.5
85.98772	0.6
94.18147	0.6
94.82333	0.5
137.85793	0.4
177.32224	0.5
250.83197	0.7
350.71017	0.5
366.98154	0.5
393.18771	100.0
394.19144	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	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.1
55.05503	23.7
57.07070	18.2
57.41932	2.7
58.32114	3.4
67.05499	44.8
69.03403	5.6
69.07059	26.6
71.08616	6.2
79.05478	36.6
81.07050	71.0
83.04974	5.5
83.08602	16.8
85.06519	4.7
85.10178	4.9
91.05472	54.9
93.07030	92.7
95.04961	71.2
95.08595	72.8
97.06512	11.3
98.21598	6.3
98.98460	17.9
105.07021	96.6
107.08584	58.0
109.06491	15.5
109.10139	32.7
110.02713	3.1
111.08047	4.1
111.51849	3.6
115.05453	4.7
117.07014	21.8
118.86322	3.0
119.08571	100.0
121.06484	28.3
121.10123	50.3
123.08074	4.9
123.11703	18.1
128.06226	10.2
129.07013	17.8
130.07799	8.7
131.08554	46.9
133.06442	3.2
133.10123	59.1
135.08061	7.2
135.11684	21.0
141.06943	10.1
142.07796	26.0
143.08534	33.0
144.09320	10.9
145.06537	3.7
145.10100	73.1
147.08037	5.6
147.11667	27.4
149.09628	6.1
149.13197	5.8
151.98749	3.6
155.01001	29.0
155.08562	9.1
156.09343	6.7
157.10106	60.2
157.11308	5.6
158.10912	8.0
159.11668	50.3
161.09586	21.1
161.13281	8.6
165.07025	4.8
167.08614	7.1
169.10107	24.2
170.10838	4.7
171.11644	29.2
172.12471	5.1
173.09608	4.4
173.13303	23.5
175.11186	12.2
175.14812	16.3
179.08591	8.8
181.10153	13.6
182.10811	4.8
183.11688	19.9
184.12416	5.8
185.09599	5.4
185.13261	14.1
186.57332	3.8
187.11205	8.9
187.14810	10.8
192.09319	4.5
193.10173	6.4
194.10825	5.2
195.11691	18.0
196.12457	5.9
197.13257	17.2
199.14787	14.1
201.12766	5.0
201.16318	10.1
206.11003	4.1
207.11620	4.4
209.13321	15.1
211.14828	12.0
213.16400	6.3
221.13257	5.7
223.14812	11.2
225.16354	7.2
235.14737	6.1
237.16357	4.3
239.18015	3.8
253.15839	5.1
253.19479	5.4
375.26981	6.0
393.27631	15.9
393.35330	7.8
412.26685	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	393.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84368	1.6
55.37098	2.0
56.96559	29.2
69.03419	2.7
69.90034	13.1
70.06571	9.1
72.08144	5.3
84.08125	6.1
85.02876	3.9
86.09692	4.7
91.05446	2.2
94.89772	2.0
97.02892	2.7
98.20946	5.9
98.21535	2.2
98.97573	94.4
101.07097	2.2
112.11205	5.6
116.98605	100.0
117.03413	2.0
120.08099	2.5
128.98665	3.1
129.13873	2.4
134.99644	64.9
141.06563	3.1
145.02827	3.1
146.99669	3.5
147.04311	2.7
153.00722	10.1
158.01218	3.0
158.99631	50.8
169.13397	2.4
171.03209	2.3
177.00699	91.1
177.05447	3.6
187.06413	3.5
189.04332	32.2
195.01753	11.1
200.02325	4.5
205.07440	5.0
207.05363	30.2
213.04335	8.3
219.01718	18.9
223.08502	2.6
231.03056	2.5
231.05382	51.4
237.02795	5.2
247.08443	3.3
249.06444	16.2
261.06445	2.7
271.03299	2.0
273.06458	13.6
285.05981	2.6
291.07556	9.3
303.07236	2.2
333.08578	3.1
351.09570	40.2
369.10684	19.5
375.11945	2.3
393.10809	9.1
393.20020	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05492	11.5
56.96556	5.4
57.07064	9.1
58.81664	3.2
65.03924	5.6
66.85926	3.2
67.05494	24.0
69.07055	13.9
69.34230	33.4
71.08617	3.7
79.05470	20.7
81.07051	41.9
81.86898	3.2
83.04972	8.1
83.08604	4.9
84.12928	3.0
91.05473	40.6
93.07022	43.9
95.04954	38.7
95.08594	23.0
97.06536	7.3
103.05385	3.8
105.07011	61.3
107.04967	3.9
107.08578	28.6
109.06499	13.8
109.10141	11.5
117.07011	15.0
119.08560	54.9
121.06470	8.7
121.10109	21.5
123.08025	4.5
128.06203	9.1
129.06999	18.5
130.07816	7.7
131.08554	25.9
133.10103	15.1
135.08063	5.5
135.11639	7.1
141.06946	8.1
142.07813	17.6
143.08527	30.9
145.06448	4.2
145.10088	42.2
147.08054	6.6
147.11685	7.4
147.13881	4.2
149.02312	26.8
154.07695	3.5
155.08531	13.7
156.09338	9.8
157.10101	39.2
158.10825	4.1
159.08066	6.2
159.11685	15.1
161.09572	5.4
165.06940	8.2
167.08508	12.4
168.09328	5.5
169.10086	26.6
170.10869	5.4
171.07988	3.5
171.11642	21.2
173.09671	5.3
173.13281	12.1
174.39433	3.1
175.11140	6.5
179.08510	15.8
180.09293	7.3
181.10023	15.3
182.10886	9.5
183.11664	18.8
185.13297	7.8
187.14748	4.8
191.14384	5.8
192.09332	4.0
193.10077	17.4
194.10890	13.1
195.11671	22.8
196.12404	5.3
197.13283	13.0
199.11113	5.7
199.14775	6.4
205.10156	5.6
206.10941	5.1
207.11687	19.8
207.54633	4.0
208.12422	9.5
209.13211	20.9
211.11230	4.9
211.14775	11.8
213.12784	3.8
215.14256	3.4
219.11720	8.9
220.12334	6.6
221.13191	16.1
223.11180	4.9
223.14822	11.0
225.12729	5.9
229.05380	4.1
230.20972	3.5
232.12434	5.7
233.13191	7.7
233.15253	5.4
235.11143	3.3
235.14803	15.6
237.16321	7.4
239.14258	3.6
243.11507	4.5
245.13110	4.1
246.13971	3.7
247.14835	9.0
249.16397	12.8
251.14302	5.3
251.18053	3.8
253.15587	4.3
254.61586	3.4
259.14828	4.3
261.16367	8.1
263.18008	6.2
264.18658	3.9
267.17526	7.2
273.16446	5.5
275.18109	4.6
277.19446	4.5
279.17429	3.5
281.18893	5.7
282.19736	7.4
293.19009	5.4
295.20438	4.6
297.18488	6.8
307.20483	5.6
333.17526	6.0
335.19955	6.5
373.11981	6.5
373.25174	21.4
391.26233	100.0
391.35913	12.0
392.26443	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	392.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.75800	0.6
58.06581	1.6
61.02906	1.2
69.03418	1.8
70.06579	1.3
71.05865	0.9
71.06197	1.4
72.08121	2.0
79.05470	3.3
81.03427	0.9
84.08133	6.7
85.02901	8.3
90.15781	0.8
91.05450	2.0
93.06999	0.9
95.04961	1.0
97.02873	2.0
98.09725	0.7
103.05450	3.5
105.07008	2.7
107.04943	33.0
108.05279	0.7
109.02872	0.9
112.11230	9.8
115.05415	1.4
117.03345	2.0
118.03742	1.0
119.04901	1.3
120.08097	1.1
121.06474	0.9
124.05222	1.7
125.05969	1.3
127.03893	1.7
129.13860	6.4
131.04904	1.6
135.08054	10.4
137.05959	1.5
137.09821	0.7
145.02826	3.1
145.07549	1.1
146.03136	1.0
147.04410	1.4
149.05907	1.4
152.04674	0.9
154.06206	1.3
163.07535	27.9
164.07977	0.7
167.07019	77.0
168.07382	2.0
175.03873	0.9
177.05458	3.8
177.34789	0.7
178.05807	0.9
180.07784	2.0
195.06372	0.9
195.10146	26.6
205.00621	0.7
207.06355	1.0
213.11192	100.0
214.11523	2.2
216.08746	3.4
240.08757	1.6
252.60049	0.7
264.12326	2.3
392.19431	1.5
392.25266	0.9
393.20627	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.4
55.28453	1.0
56.96558	4.2
57.07080	1.3
63.82946	1.0
67.05501	2.5
71.08625	1.3
71.48441	1.4
71.48797	1.3
79.05486	2.1
81.07036	2.0
85.02898	1.6
91.03933	1.2
91.05474	1.7
93.07028	1.8
109.10149	2.1
116.81138	1.4
122.23166	1.0
131.08510	1.3
149.02347	10.8
167.03407	3.0
193.23096	1.2
195.24002	1.2
204.36472	1.0
259.12173	1.8
260.04715	1.1
260.12671	1.4
311.64175	1.1
321.16760	1.1
350.17157	3.3
351.18161	2.2
368.18320	10.4
369.19400	3.9
391.24493	100.0
392.24857	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.2
56.96548	8.9
57.07055	7.3
67.05491	15.2
69.03412	3.9
69.07063	9.1
71.04959	4.3
71.08622	4.2
71.32405	7.7
71.32766	3.6
79.05484	33.4
81.03382	5.0
81.07047	26.3
83.04961	4.6
83.08625	6.5
85.02904	5.7
85.06556	3.7
87.05560	3.4
89.87858	3.0
91.05460	32.3
93.07041	25.7
95.04944	8.1
95.08591	16.3
97.02932	4.7
98.97559	7.6
105.07017	42.7
107.04946	5.1
107.08584	100.0
109.06528	5.8
109.10123	10.7
111.26301	4.1
112.11243	3.7
116.98623	9.1
117.07021	13.8
119.08562	24.0
120.08033	3.4
121.06470	6.7
121.10132	13.8
128.98613	4.2
129.06995	6.6
130.07774	3.7
131.08548	42.5
133.06097	6.5
133.10107	17.4
134.99606	4.7
135.08052	4.2
135.11659	5.1
137.09558	5.2
143.08562	13.1
145.10095	64.1
147.07991	5.4
147.11656	22.7
149.02339	32.3
149.09602	11.2
149.13235	5.9
155.08589	4.2
157.10147	12.5
159.08072	4.7
159.11673	21.3
161.06064	3.6
161.09613	7.4
163.11168	4.7
169.10175	4.8
171.11667	9.6
173.09619	32.3
173.13315	5.4
175.11148	8.0
177.05458	7.3
177.12761	5.5
183.11688	5.6
185.09554	3.9
185.13278	7.2
187.11122	5.2
189.12755	3.3
191.10655	23.5
191.14267	6.4
197.13159	3.5
203.10475	3.7
215.10803	4.4
229.04974	5.1
253.19487	17.3
269.13931	5.5
271.20508	25.1
278.14569	7.5
289.21603	4.5
319.20523	7.2
337.21594	48.3
355.22650	44.2
373.23773	18.9
374.23022	5.1
391.16861	7.0
391.25360	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	391.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84555	0.5
53.34037	0.5
54.23166	0.5
61.02909	0.8
69.03434	1.4
70.17599	1.2
70.18006	1.8
73.22285	0.5
81.03390	1.0
84.08109	0.5
85.02897	2.7
97.02885	1.7
106.61810	0.6
119.08537	0.6
125.79868	0.7
145.02654	0.9
149.02333	3.9
185.04195	0.6
233.66299	0.6
246.28735	0.5
269.09930	40.8
270.09995	0.9
283.09467	0.7
293.33484	0.6
307.63382	0.6
391.13583	100.0
392.13919	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	391.1934
Annotation	Arg Glu Ser
Peak:m/z	Relative Intensity
56.96534	0.4
58.34124	0.3
67.05491	0.5
69.03413	0.6
69.56504	0.4
70.06586	1.2
71.08636	0.6
71.59534	0.6
72.08153	0.4
79.05475	0.5
81.03409	0.5
81.07055	0.5
84.08129	0.6
85.02911	0.6
91.05468	0.7
93.07037	0.4
97.02879	0.8
105.07000	1.4
109.10146	0.6
112.11276	0.6
116.07037	0.5
117.03357	0.6
125.09599	0.5
126.90855	0.3
137.05969	0.6
145.02855	0.6
147.04427	0.6
149.02344	3.2
153.01799	1.6
161.05931	0.4
162.79550	0.4
167.07045	0.5
177.05415	0.7
212.10753	0.7
229.14064	6.7
241.94130	0.4
345.04474	3.0
346.04587	0.7
363.05524	1.0
368.06012	1.4
391.19321	100.0
392.19699	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09020	0.6
52.22356	0.7
53.81629	0.7
56.20848	0.7
56.96561	3.2
57.07068	0.9
57.38541	0.6
63.98986	0.6
67.05495	1.2
69.03442	0.6
69.51901	5.9
71.08628	1.0
78.49686	0.6
79.05486	1.5
81.07059	1.9
81.19654	0.7
85.02901	0.8
91.05490	1.1
93.07047	1.6
95.04967	0.6
95.08571	1.6
97.02883	0.9
105.07007	1.4
107.08591	1.2
109.10155	1.1
113.18960	0.7
116.28645	0.7
116.98628	0.8
121.10193	0.6
139.65414	0.7
141.77715	0.6
149.02341	6.0
149.13220	0.9
159.11665	1.0
176.97330	0.6
196.17499	0.7
267.09103	1.1
269.10611	1.6
285.10034	2.3
286.10593	0.8
287.11700	1.6
346.51291	0.8
350.17096	1.0
351.18219	0.9
369.19595	1.0
373.12103	1.4
391.24515	100.0
391.35513	2.2
392.25082	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	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01862	15.8
55.05501	6.2
56.96549	2.3
57.07070	2.8
57.62760	1.9
65.03928	4.4
67.05491	8.0
69.03407	5.0
69.07063	6.0
70.90866	5.4
71.04968	8.5
71.94156	1.9
79.05492	9.3
81.03400	3.7
81.07059	21.7
83.08617	2.4
84.08131	1.8
85.02899	16.9
85.06513	3.8
89.03922	1.8
91.05486	16.9
93.07040	35.2
95.04962	5.5
95.08610	18.0
97.02876	3.1
98.97571	3.0
103.05453	7.3
105.07031	25.8
107.04940	5.2
107.08582	42.0
108.08884	2.4
108.26703	1.6
109.02834	2.0
109.06490	4.5
109.10155	8.0
111.08072	3.6
115.05471	2.1
116.98612	7.0
117.07027	3.3
119.04945	2.5
119.08574	50.4
121.10139	6.0
123.08086	4.3
123.11691	5.2
127.03873	1.9
128.06326	1.6
129.06973	2.8
130.07333	2.0
131.04903	6.2
131.08511	3.0
132.05225	2.9
133.10114	57.2
134.99672	4.0
135.11682	100.0
137.05969	14.7
137.09637	4.2
138.06290	6.5
145.02866	2.9
145.06490	2.0
145.10094	5.2
147.11674	6.7
149.06052	3.8
150.06305	3.6
151.07539	4.0
152.07843	2.4
153.01842	3.7
157.06456	3.4
157.10159	2.1
158.06818	2.9
158.99666	2.5
159.11703	3.5
161.05812	2.2
163.07579	2.7
163.11177	3.4
167.07024	11.7
168.07410	4.5
172.06818	2.6
175.07539	6.5
175.14812	96.8
176.07881	6.7
177.00757	5.2
177.05466	13.6
178.05815	8.2
181.04951	25.9
182.05309	22.9
193.12292	2.9
193.15854	36.5
202.90829	2.2
205.12172	3.8
209.08070	10.8
210.08430	13.6
211.16954	2.9
217.08701	2.4
218.08746	2.5
219.61642	2.1
239.37419	1.9
255.11317	2.4
261.10034	2.5
278.08905	2.6
295.54175	1.9
315.19547	3.0
340.12579	5.3
341.13766	3.1
360.15350	3.9
372.15341	6.6
390.16312	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	390.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
53.46347	1.6
55.01869	19.4
55.05511	15.9
56.69229	1.5
57.02631	1.7
65.03927	4.6
67.05494	6.5
69.03429	3.3
69.07058	2.4
70.06582	2.0
71.04973	4.9
71.51991	1.6
71.60183	2.4
79.05119	1.9
79.05498	24.1
81.07054	100.0
82.04176	3.3
82.06575	1.8
83.04977	3.3
83.08617	7.9
84.08133	2.6
85.02914	9.9
88.03978	2.9
91.05480	17.4
93.07047	34.8
95.04977	7.8
95.08588	4.8
97.06525	7.0
99.04433	3.6
100.07611	3.3
100.11248	40.5
103.05445	8.5
104.05793	2.1
105.07027	31.3
107.04956	5.8
107.08588	5.5
108.05254	2.8
110.03672	2.5
111.04446	5.3
113.05982	1.6
115.05492	2.0
117.06999	3.2
119.08578	32.4
121.06480	3.7
121.10103	3.1
123.04458	1.6
125.05948	2.0
128.06232	2.1
128.07104	3.1
129.07001	3.1
130.07336	2.8
131.04922	7.2
131.08566	4.6
132.05263	5.8
133.10135	9.4
134.04442	3.6
137.05963	16.5
138.06326	6.7
142.02698	2.0
145.10110	3.6
147.11682	51.8
149.05975	4.4
149.13274	2.1
151.07593	2.0
157.10135	5.0
160.05205	1.7
164.07870	2.3
165.12805	2.2
167.07057	12.1
168.07346	4.6
171.06564	4.8
175.07475	3.7
175.11188	17.7
176.07866	5.7
177.05469	13.8
178.05827	9.2
181.04958	29.2
182.05316	22.4
182.15417	15.4
183.15878	2.0
189.09125	2.8
190.09453	4.8
193.12230	20.5
197.01207	1.8
209.08096	15.4
209.16466	3.4
210.08409	16.5
210.14874	13.9
217.08203	1.9
219.10121	2.7
220.10472	4.4
227.17522	3.6
228.12836	4.5
250.09482	2.7
262.09512	2.8
264.07343	1.9
266.08804	1.6
276.72733	10.1
277.08530	1.8
277.22925	4.8
278.08966	5.2
294.11993	2.2
309.11099	1.9
322.11484	2.0
340.12601	9.1
341.13318	2.1
343.30444	4.2
372.15121	9.9
389.81039	3.9
390.16217	21.8
390.21078	2.4
390.22720	1.6
391.16861	2.0
408.37549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55658	0.6
56.96289	1.0
56.96561	15.3
70.85555	1.1
71.95252	1.9
74.97620	0.7
79.05479	1.2
81.03384	0.8
84.96031	0.9
93.07005	1.0
95.04939	0.6
98.97597	1.7
107.08586	0.6
109.10187	0.7
110.97603	2.1
116.98614	1.8
128.98611	3.6
133.01733	0.8
134.99643	0.7
145.01674	0.7
146.99646	5.9
149.01256	1.2
157.14336	0.6
161.01208	1.7
165.00699	1.5
171.03322	1.5
175.02751	0.8
177.04324	0.8
183.03223	1.1
183.07002	0.8
185.04810	3.2
187.02873	1.1
189.04401	3.1
193.03685	0.8
197.04900	1.0
199.06433	1.9
201.04364	1.7
201.07939	1.1
203.05869	6.0
205.07478	2.3
211.06424	1.7
213.08057	1.6
215.05795	1.0
217.07503	2.7
221.06776	0.7
223.02829	1.4
223.08504	1.9
225.07858	0.9
229.07574	3.0
231.09001	2.5
237.04327	2.7
239.09499	1.3
241.07291	0.7
243.09088	2.1
247.08546	1.3
251.05962	0.9
255.05370	1.7
255.09010	2.9
257.10678	1.2
261.10147	0.7
262.11090	0.6
267.08865	1.1
273.10098	2.1
280.09848	1.7
281.10645	1.0
285.10010	1.0
298.10754	1.5
311.08081	1.1
331.15762	23.5
332.16171	1.5
349.16840	100.0
350.17096	4.9
367.14197	3.1
367.18024	21.2
372.18378	4.8
385.15347	1.8
390.19318	7.3
390.23529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	61.0
62.93990	1.1
67.05493	1.4
69.07060	1.9
69.96898	3.2
69.97287	2.0
71.95259	5.4
72.96019	2.4
74.97610	1.6
79.05489	2.3
81.07048	2.3
88.49796	1.3
91.05495	1.8
93.07011	2.0
95.08615	1.4
97.96813	1.9
105.07048	1.8
110.97578	2.6
116.98645	1.7
123.01165	1.5
128.98593	4.3
133.01749	1.4
137.02699	3.4
141.02249	2.1
145.01683	1.3
146.99673	6.7
147.03249	1.4
153.02257	1.4
155.03775	3.8
157.01735	1.9
159.03273	2.8
161.01120	1.3
165.00734	2.3
165.02187	1.3
167.03709	1.9
169.01657	1.8
171.03281	7.5
173.04836	2.0
175.02721	1.4
177.04381	1.3
183.03322	2.5
185.04843	4.8
187.02823	2.3
189.04367	7.3
191.05775	1.5
195.06932	1.9
199.06422	7.6
201.04425	1.5
203.05916	12.6
205.07494	1.5
207.07077	1.5
211.06404	2.9
213.07944	15.2
213.09810	1.6
215.05981	1.8
217.07475	17.4
225.08075	6.6
226.07565	1.2
227.05914	2.2
227.09499	3.7
229.07494	4.2
231.06970	2.1
231.09010	23.3
237.08031	4.4
239.09473	5.4
241.07553	1.4
241.11246	2.1
243.09003	8.9
245.10526	5.7
247.08421	1.3
249.08138	4.3
251.09497	11.1
255.09004	20.9
257.10648	5.4
259.12338	1.5
267.09024	32.5
269.10577	100.0
270.11032	3.6
273.10068	19.9
274.10690	1.3
278.10645	3.4
285.10071	49.5
286.10345	2.7
287.11633	47.0
288.12073	2.2
290.10651	3.8
292.12204	15.3
296.11612	1.9
303.11057	7.9
308.11633	6.8
310.13266	4.1
331.15900	7.2
349.16870	26.5
350.17020	1.5
360.07895	2.7
365.51999	1.2
367.17941	50.6
368.18170	2.7
372.18350	1.8
385.18954	6.9
390.12759	4.2
390.19586	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	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20836	1.6
65.66014	1.5
68.00919	1.5
69.03432	3.6
71.04980	1.7
71.55280	3.4
81.03413	2.0
81.07053	1.5
84.08170	2.1
85.02901	12.7
91.04896	3.1
91.05471	54.4
91.82878	1.4
97.02883	4.4
103.05481	3.4
105.07039	2.3
109.02856	1.7
112.11225	2.9
112.21420	1.5
117.03338	2.4
119.08556	5.2
121.06498	10.2
129.06987	41.9
129.13849	2.3
131.08563	32.5
131.75717	1.6
139.16234	1.7
145.02797	2.9
147.08031	100.0
149.05884	2.3
161.05963	2.5
165.09103	51.7
175.07523	15.1
177.05432	4.9
190.13490	1.6
211.09636	10.2
383.15829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	39.5
61.02930	2.3
67.05495	4.9
69.07044	2.6
69.85305	8.3
69.85712	4.1
71.95255	4.5
72.96054	2.1
78.14936	2.3
79.05461	2.2
81.07048	2.2
84.96012	2.5
93.07027	4.1
110.97575	4.7
128.98572	13.3
143.00212	2.9
146.99634	15.6
148.00447	6.7
155.03764	2.7
160.00432	4.4
161.01208	4.8
165.00703	3.0
166.01512	2.7
166.30925	2.1
167.03726	2.8
171.03189	3.8
173.01224	3.8
175.02757	2.7
185.04869	5.3
189.04340	9.1
193.03716	1.9
197.01265	3.1
199.06410	11.4
201.00826	2.9
201.04373	2.6
202.05159	2.3
203.05920	11.6
204.03185	2.3
211.06461	3.9
213.08003	3.9
215.02267	11.4
217.07452	24.5
219.08939	2.5
221.06876	2.8
223.08463	2.8
225.07941	6.1
227.05962	4.2
229.07455	28.7
231.09007	7.9
239.05968	4.2
240.06758	3.8
241.07484	3.1
243.09128	4.4
245.06912	2.8
245.10545	2.8
247.08505	25.9
249.07983	3.6
251.09494	3.0
252.08987	4.7
255.09032	14.6
257.06943	14.5
257.10547	2.4
258.07687	17.4
259.08511	6.0
267.09067	20.9
269.10532	28.3
270.10193	2.4
273.09845	10.6
275.07962	7.3
276.08759	16.0
281.09268	3.5
285.10098	27.2
287.11597	9.8
290.06415	2.1
303.11191	3.9
307.15808	2.2
313.14679	3.5
331.15710	22.8
349.16840	100.0
367.17923	92.8
367.22610	3.7
368.18271	3.3
372.18430	5.6
385.18939	9.0
390.19122	15.0
390.22098	2.9
390.23657	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18055	8.4
51.81923	6.7
53.03928	9.4
56.96566	7.5
58.06590	7.9
58.70157	6.4
67.05474	9.9
69.03415	17.1
70.06577	17.9
71.04027	11.9
71.04370	14.6
72.08122	17.9
73.02907	9.0
81.03406	19.9
81.07035	13.5
84.08131	60.9
85.02874	20.0
86.09695	18.7
89.03909	25.0
91.05476	14.2
93.07029	17.8
95.04973	10.8
95.08564	8.3
96.74131	6.6
97.02878	30.0
99.04412	11.2
105.03378	33.3
105.07018	15.8
107.04905	9.1
107.08568	16.2
109.02859	9.8
109.06522	8.8
112.11227	65.2
117.03365	32.4
117.06993	11.1
119.04940	13.2
119.08524	12.3
121.10065	16.3
125.09632	28.3
127.03830	9.3
127.05795	7.4
129.13855	30.8
130.00168	7.5
130.14293	7.5
131.04935	16.3
132.08107	8.1
135.08023	12.9
137.05922	12.4
145.02803	68.5
145.06525	7.7
146.03217	9.0
147.04413	16.4
149.05969	10.3
149.09604	36.2
151.07417	7.4
155.11769	14.9
163.07599	9.2
163.11243	13.8
167.06943	34.0
174.97426	8.1
175.03935	9.9
177.05435	100.0
178.05788	17.7
179.07077	11.5
181.04869	7.9
191.14265	11.2
197.07968	9.7
205.08661	10.3
207.06549	10.0
209.15355	69.7
211.07349	12.2
227.16388	8.3
234.11221	16.0
264.12384	7.8
296.06665	9.0
389.13300	30.6
389.17673	24.4
390.11652	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	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69119	0.8
55.05499	1.2
56.96575	4.3
57.02623	1.0
64.16016	0.9
65.47810	0.9
67.05461	1.2
69.07050	1.4
70.08963	1.9
70.09383	2.6
72.07832	1.0
79.05482	1.9
81.07050	2.2
81.69620	0.8
85.02905	1.2
91.05485	1.5
93.07025	1.7
95.08533	0.9
98.21431	0.9
105.07009	2.3
107.08620	1.4
116.98592	0.9
135.11711	1.3
145.10156	0.9
146.99605	0.9
189.04321	1.3
231.09085	1.3
243.09109	1.1
247.08362	1.1
287.11453	1.1
305.29456	1.0
349.16812	4.6
367.13809	1.4
367.17816	3.8
389.22934	100.0
390.23434	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	389.268
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03942	6.8
54.12416	4.8
55.05494	19.3
56.96568	9.2
57.03447	7.4
63.78305	4.5
66.17803	4.9
67.05497	28.9
68.51150	4.3
69.07050	12.2
70.26814	5.7
70.27151	19.2
70.89161	4.3
71.04357	4.2
71.05000	35.6
79.05482	17.8
81.03404	14.9
81.07054	43.0
83.08598	7.6
85.06522	6.2
88.61300	4.4
91.05470	30.5
93.06531	4.3
93.07040	26.7
95.04967	12.6
95.08596	33.8
105.07011	29.0
107.04959	7.4
107.08587	14.7
109.06600	4.5
109.10143	14.4
111.54887	4.1
117.06986	11.0
119.08548	21.4
121.06466	8.5
121.10124	17.9
123.08031	9.7
123.11716	6.2
128.06291	4.5
129.06978	9.8
131.08533	18.4
133.06488	7.5
133.10121	19.6
135.11687	9.0
136.68022	5.1
142.97418	5.0
143.08562	7.3
145.06519	5.9
145.10077	13.0
147.08055	7.6
147.11665	10.0
149.93782	4.6
155.08600	9.5
157.10152	12.1
159.08032	7.4
159.11674	8.4
161.09586	10.8
163.11227	6.9
169.10187	9.2
171.11679	9.2
173.09613	9.1
173.13161	8.9
175.11168	10.4
177.12701	8.7
183.11636	6.1
187.11157	13.2
189.12813	5.3
201.12697	9.7
231.13716	6.3
267.17371	4.8
283.20416	7.7
285.18494	13.1
289.41037	5.1
301.21536	29.4
303.19498	11.2
343.26514	9.3
353.24780	24.1
371.25735	100.0
389.26956	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	389.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.33875	0.6
55.01855	2.2
55.05496	0.9
57.03424	1.8
67.05492	1.9
69.03418	10.5
69.07059	1.5
71.01344	2.5
71.04987	6.4
71.58641	1.7
79.05470	2.9
81.03409	7.6
81.07054	4.0
85.02894	12.9
85.06535	1.3
86.09701	1.2
91.05471	2.5
93.07017	6.0
95.04942	1.6
95.08579	2.4
97.02878	100.0
97.06509	1.2
97.73331	0.6
98.03217	0.8
99.04443	12.1
105.07019	3.9
107.08582	7.3
109.02864	6.9
109.06508	2.0
109.10197	1.0
112.11230	1.1
119.04976	0.9
119.08581	1.7
121.06490	2.1
121.10122	5.6
123.08053	2.0
123.11669	0.7
127.03915	13.0
133.10190	0.9
135.11699	1.7
137.05957	1.1
139.07555	0.6
139.11174	1.0
143.11836	0.7
145.02823	1.5
145.04910	3.8
145.10072	3.3
147.11742	1.1
149.09625	1.9
158.82074	0.6
163.11154	8.1
167.07037	0.7
167.10593	3.2
169.08601	9.2
173.09619	1.1
175.07547	0.8
177.05481	2.5
181.04884	1.3
181.12132	3.8
183.13800	2.5
191.10698	5.0
207.06406	1.0
209.08163	0.9
209.11711	2.8
209.15443	1.2
227.12772	6.9
227.16353	6.6
304.94559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
52.93817	0.7
53.03938	2.3
54.37247	0.6
55.01866	36.8
56.96545	0.9
57.03413	1.1
65.03933	11.5
67.05489	5.6
69.03417	3.3
69.07059	1.7
70.15324	3.7
77.03913	0.9
79.05482	6.4
81.03423	1.1
81.07037	3.2
82.04202	3.7
84.08154	0.8
85.02892	7.2
89.03894	1.2
91.05465	5.0
93.07030	3.2
94.04191	1.3
95.04957	6.6
95.08596	1.1
97.02871	1.4
97.06516	3.8
103.05453	17.5
105.07026	2.7
107.04932	9.1
107.08569	1.4
108.02072	2.5
109.06537	1.7
109.10145	0.9
110.03654	6.4
111.04414	3.5
115.05444	2.6
117.03402	1.5
117.06998	2.7
119.04911	1.3
119.08585	1.0
121.06480	6.1
121.10117	1.1
122.03613	4.0
123.04458	5.2
124.05161	2.0
125.05955	4.8
128.06213	2.9
129.06990	9.6
131.04907	21.7
131.08594	0.8
133.06477	1.5
133.10115	1.7
134.03618	1.0
135.04393	1.9
135.08028	1.6
136.05150	1.2
137.05957	36.6
138.03098	3.0
138.06258	1.9
139.03876	0.8
140.04660	1.5
142.02597	3.3
143.04860	1.2
144.05692	1.0
145.06444	4.0
147.04364	0.8
149.05962	12.1
151.03905	1.3
151.07523	2.1
153.05428	3.9
155.07068	1.0
157.06502	7.6
158.07301	1.2
159.04407	1.6
159.08058	1.2
160.05148	3.8
161.05951	5.0
162.06773	1.0
163.03917	1.9
163.07521	9.5
165.05501	0.8
167.07014	27.1
171.06517	7.9
173.05998	1.8
174.06767	3.7
175.07529	17.7
177.05450	41.6
177.08971	1.8
178.05695	0.9
179.07039	2.1
181.04935	100.0
181.08414	2.0
182.05260	3.9
183.06500	3.3
185.05966	1.2
187.07559	2.8
189.05470	1.3
189.07237	1.5
189.09068	10.3
191.06993	3.5
193.08603	1.3
195.08101	1.0
199.07484	1.3
201.09175	1.0
203.08566	1.0
205.06807	1.0
205.08665	3.2
206.07294	0.9
207.06396	1.0
207.08182	1.5
209.08061	60.4
210.08466	1.6
217.06548	1.7
217.08539	7.7
218.07343	1.6
219.08051	1.6
219.10165	6.7
220.08615	0.8
221.07899	1.4
231.08252	0.8
234.06802	2.2
235.07556	1.8
235.09683	2.7
237.09065	1.1
237.75639	0.7
240.07909	1.0
246.06798	1.3
247.07556	1.4
248.08447	0.9
249.09108	4.2
251.84770	0.8
253.08562	1.6
261.09033	3.4
262.06274	1.1
263.06906	1.0
277.08551	7.4
278.09131	1.8
279.10098	1.7
281.08118	0.9
281.11615	1.1
289.08936	0.9
293.11682	3.1
295.09637	1.1
307.09268	1.0
308.10483	0.9
309.11093	4.7
311.12796	1.4
313.10712	1.3
313.14319	1.1
321.11209	3.3
325.10696	0.8
327.12299	3.1
329.13843	1.5
339.12195	8.2
341.13754	4.9
353.13873	1.2
359.14795	5.9
371.14920	10.1
374.91382	0.8
386.50714	0.9
389.15872	46.1
390.16183	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	389.1594
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
52.88692	0.9
53.03933	1.9
55.01865	35.2
55.05507	1.6
55.06611	0.7
55.92847	0.8
56.96581	0.9
57.03420	0.9
65.03933	10.8
67.05490	5.9
69.03416	3.1
69.07058	2.0
69.39565	7.8
71.04983	1.4
75.27250	0.8
76.54514	0.8
79.05488	5.7
81.03435	1.8
81.07041	3.4
82.04187	3.5
85.02899	7.9
89.03890	1.8
91.05473	6.9
93.03403	1.9
93.07037	5.7
94.04154	1.3
95.04952	6.7
95.08585	1.8
97.02860	1.5
97.06522	2.5
98.97581	1.8
99.04456	1.9
102.52167	0.9
103.05455	18.2
105.07016	3.2
107.04942	9.3
107.08567	3.7
108.02096	1.4
109.06506	1.8
109.10143	1.8
110.03644	5.7
111.04449	3.1
111.11752	1.0
112.95139	0.8
115.05452	2.2
116.98642	1.3
117.07015	2.8
119.04958	1.9
119.08546	2.6
121.06480	6.0
121.10108	1.5
122.03635	4.4
123.00835	0.9
123.04454	7.0
123.08054	2.2
124.05178	1.8
125.05968	3.4
128.06218	2.6
129.06987	9.1
131.04915	20.0
131.08574	1.2
132.05737	1.0
133.06548	1.7
133.10083	2.5
135.04405	1.5
135.08046	1.9
135.11700	2.3
136.39169	0.8
137.05968	37.6
138.03137	2.9
140.04636	2.0
142.02603	3.1
143.08501	1.0
144.05716	1.0
145.06433	5.7
147.04411	2.1
147.07985	1.3
147.11664	1.1
148.05228	1.1
149.05960	11.1
149.09555	1.0
151.03925	2.2
151.07530	9.6
152.04622	1.5
153.01834	5.6
153.05447	2.3
155.07034	2.3
156.05661	0.9
157.06470	7.8
159.04419	2.2
159.08015	1.3
160.05194	4.6
160.07562	1.8
161.05980	3.5
163.07532	7.5
167.07027	24.2
167.08405	1.7
171.06519	8.2
173.05966	1.8
173.13161	1.0
174.06757	3.0
175.07529	36.8
175.14777	2.1
176.04700	1.2
176.07927	0.9
177.00719	1.5
177.05452	39.4
177.09157	1.4
178.05815	1.0
179.07011	0.8
181.04938	100.0
182.05315	2.1
183.06534	5.4
187.07648	1.5
187.13231	0.9
188.08281	0.9
189.09084	9.4
191.07056	2.9
195.10127	8.9
199.07584	1.8
201.09119	3.3
205.06784	1.2
205.08627	2.8
207.06499	1.2
209.08069	58.3
210.08426	1.6
217.06625	1.4
217.08543	6.8
218.07339	1.1
219.08093	1.9
219.10112	11.9
220.08817	0.9
221.08073	1.6
231.08202	0.9
234.06747	2.4
235.07532	1.4
235.09619	2.0
247.07544	2.0
249.09062	3.7
261.09128	3.6
263.06894	1.1
269.09369	1.1
277.08578	6.4
279.10037	2.0
281.11646	1.0
289.08408	1.4
293.08292	1.1
293.11765	1.7
297.08658	2.2
307.09558	0.8
309.11017	3.8
321.11227	2.7
329.11151	1.8
339.12112	8.0
340.12830	1.4
341.13654	3.9
353.13770	1.7
357.13293	1.1
359.14883	2.8
371.14905	9.2
389.15921	48.3
390.16068	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	389.1592
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.79889	1.3
53.03941	2.4
53.74311	1.2
55.01870	43.0
55.05503	1.4
65.03922	7.7
67.05489	4.2
69.03413	2.1
69.07038	1.4
69.59308	8.9
79.05492	8.4
79.89436	1.4
81.03392	1.5
81.07043	6.5
82.04182	3.3
83.08605	1.6
85.02906	6.3
91.05463	7.4
93.03415	2.1
93.07018	4.0
94.04195	1.5
95.04959	6.3
95.08624	1.3
97.06531	4.2
98.21467	2.6
100.11253	6.7
103.05476	15.3
105.07027	3.6
106.04213	1.5
107.04965	11.9
107.08543	1.6
108.02109	3.2
110.03649	4.8
111.04429	3.2
113.83112	1.2
115.05466	3.3
117.03391	1.4
117.07008	3.1
121.06517	4.6
122.03657	3.9
123.04404	4.9
124.05220	1.8
125.05983	5.0
128.06166	2.6
129.07007	11.0
129.46072	1.5
131.04915	18.8
131.08563	2.3
133.06502	2.1
133.10112	1.4
134.03627	2.4
135.04366	2.0
137.05971	36.6
138.03088	1.8
141.06987	2.3
142.02591	4.4
143.05006	1.5
145.02847	1.6
145.06494	5.8
147.04340	1.5
147.11673	3.0
148.05121	1.4
149.05989	10.8
151.07558	3.2
153.05440	3.2
155.07034	3.4
157.06467	10.3
158.07205	1.7
159.04459	3.1
159.08057	1.7
160.05209	4.6
161.05978	3.9
163.03935	2.6
163.07510	9.0
163.11252	1.6
164.10368	1.3
167.07039	30.4
171.06512	10.1
173.05896	1.9
174.06786	8.0
175.07527	21.2
177.05466	38.3
177.09021	1.7
179.07024	2.2
180.07846	1.4
181.04945	100.0
181.08440	2.8
182.05299	3.2
182.15390	3.5
183.05028	1.5
183.06442	6.3
185.05911	1.5
187.07555	4.7
188.08273	2.2
189.07245	2.2
189.09081	15.0
191.06949	2.9
191.08549	1.6
193.08624	2.2
195.10115	1.7
201.09068	1.8
203.08620	1.7
205.06755	1.8
205.08568	2.4
207.06413	2.4
209.08063	66.9
210.14845	3.0
217.06517	3.3
217.08604	7.6
218.07306	3.1
219.08090	3.2
219.10172	15.2
221.09718	2.2
231.08087	1.6
232.08859	1.5
233.09663	2.3
234.06732	4.8
235.07553	2.5
235.09737	3.4
246.06505	1.5
247.07558	4.0
248.08226	3.0
249.09052	7.7
251.06966	1.8
251.10672	2.4
261.09113	9.0
262.06094	2.8
263.07031	2.5
265.08536	2.0
266.09695	1.3
277.08575	18.9
278.09451	3.9
279.10297	2.7
281.11798	1.7
289.08597	2.2
293.08096	1.9
293.11737	3.1
294.08749	2.5
306.08817	1.9
307.09769	2.0
309.11108	7.9
311.12753	2.8
321.11188	4.6
339.12234	24.9
340.12714	3.0
341.13870	4.0
343.30652	1.8
343.67432	1.5
353.14063	2.6
359.14972	4.1
371.07629	1.6
371.14813	20.6
372.15250	1.9
389.15924	59.2
390.16177	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	389.1596
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.02371	0.6
53.03936	1.3
53.78382	0.5
55.01869	33.8
56.50542	0.7
62.24542	0.5
65.03937	9.7
65.10058	0.5
66.39336	0.5
67.00365	0.5
67.01875	0.5
67.05495	4.3
69.03400	1.8
69.07070	0.8
71.12168	1.0
71.12511	0.6
72.47287	0.7
77.03925	1.4
78.04704	0.7
79.05491	4.1
79.34765	0.6
81.03413	1.2
81.07030	2.2
82.04192	4.1
82.04589	0.6
84.53921	0.5
85.02902	6.5
89.03890	1.3
91.05462	2.4
93.03385	1.7
93.07023	1.8
94.04187	1.4
95.04961	6.8
95.08566	0.8
97.02895	1.2
97.06526	3.6
103.05460	16.7
105.06994	2.4
106.04089	0.7
107.04948	7.3
108.02067	2.0
109.06493	1.3
110.03646	5.1
111.04432	3.3
115.05429	2.2
117.03345	0.8
117.07014	3.5
119.04913	0.9
121.03002	0.7
121.06494	4.2
121.10153	0.6
122.03644	3.3
123.00764	1.0
123.04427	4.3
123.08071	0.8
124.05191	2.5
125.05991	3.5
128.06200	2.0
129.07002	8.5
131.04921	22.2
131.05919	1.1
131.08534	1.0
132.05730	0.6
133.06473	1.3
134.03606	1.3
135.04422	1.3
135.08095	0.9
137.02293	0.7
137.05966	34.6
138.03108	3.3
138.99965	0.6
140.04645	1.6
142.02592	3.2
145.02866	0.7
145.06468	4.8
147.04381	1.6
148.05116	0.6
149.05965	11.8
151.03844	0.9
151.07520	1.2
152.04616	0.9
153.05510	3.3
155.07057	1.7
157.06487	8.7
159.04385	2.8
160.05179	2.5
161.05975	3.8
163.03912	2.1
163.07530	8.4
165.05438	0.8
167.07036	23.9
168.07397	0.6
171.06529	9.4
173.05975	1.3
174.06790	3.0
175.07547	13.3
177.05458	38.3
178.05811	1.0
181.04947	100.0
181.08430	2.4
182.05309	2.3
183.06456	2.6
185.05873	1.1
187.07538	2.6
188.08340	1.1
189.09065	8.9
191.06969	2.8
199.07498	1.0
202.07678	0.8
205.08591	2.3
206.07262	0.9
207.10081	0.9
209.08075	58.1
210.08498	1.0
217.06535	1.3
217.08543	7.7
218.07243	1.3
219.07953	1.7
219.10194	3.0
221.07898	1.1
231.08032	1.4
233.09581	0.8
234.06731	2.1
234.98889	1.2
235.07582	1.4
235.09679	3.3
246.06905	0.8
247.07550	1.6
248.08235	0.8
249.09134	2.8
250.09743	1.0
261.09055	2.8
263.06897	1.2
265.08511	0.9
270.19827	0.8
277.08646	6.5
278.09280	1.9
279.10071	1.3
293.11804	2.0
295.09439	0.9
306.08926	0.6
309.11221	2.7
311.12680	0.9
321.11096	2.6
327.12161	0.6
329.13983	1.0
339.12244	6.9
341.13895	3.4
345.10077	1.5
353.13669	1.1
359.07727	0.6
359.14948	2.8
371.14941	8.8
372.15402	0.7
389.15918	43.4
390.16132	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43269	7.4
53.03933	8.4
55.05493	28.2
57.03435	21.1
58.82128	6.5
59.10242	6.4
63.78693	6.1
67.05499	40.0
69.03416	8.0
69.07064	15.2
70.97888	15.5
79.05497	37.7
81.03425	8.3
81.07045	79.9
85.06540	8.3
91.05468	31.7
93.07047	64.2
95.04967	7.1
95.08603	59.8
105.07021	59.2
107.08585	66.1
109.10154	28.0
113.09637	28.9
117.06976	11.8
119.08564	59.7
121.10112	36.9
123.11654	8.7
129.06969	13.1
131.08574	23.2
133.10077	40.4
135.11693	42.2
137.05972	7.1
145.10129	35.1
147.10594	6.6
147.11670	30.8
149.13203	20.6
159.11696	32.0
161.09613	8.0
161.13254	49.5
163.14838	16.3
169.10086	8.4
171.11702	13.6
173.13264	30.2
175.14795	28.0
177.16365	8.2
183.11728	7.9
185.13202	12.5
187.14816	26.1
189.16385	30.5
201.16389	19.8
203.17970	18.9
215.17964	19.2
255.20920	10.3
297.25479	8.4
351.23172	9.0
351.30411	73.5
369.24271	35.7
369.31415	100.0
387.25186	58.8
387.32578	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	388.1051
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
51.02381	0.5
53.40065	0.5
58.57056	0.5
59.01373	0.6
65.03928	1.0
66.04693	0.9
70.31985	0.6
71.33418	1.2
74.46291	0.5
75.04452	1.0
78.04730	0.7
79.05470	2.0
81.07052	0.7
82.43436	0.5
91.05474	4.7
92.02593	0.8
93.07051	0.6
95.04960	1.5
104.04979	12.5
105.05764	23.5
106.05978	0.6
106.06554	4.7
107.04935	0.6
107.07307	1.7
108.04446	1.2
109.06512	1.2
116.04951	1.3
117.05729	2.2
118.06530	6.4
119.03664	10.6
119.05997	0.6
120.04449	14.5
121.06475	4.0
123.06807	6.0
128.04980	0.9
130.02850	2.0
132.04442	23.9
133.05219	43.5
134.02382	1.6
134.06009	12.3
136.85527	0.5
144.04468	0.5
146.05989	4.1
148.03923	2.5
149.04704	45.8
150.05052	0.7
162.05489	25.2
163.06262	100.0
164.07045	51.3
165.07381	0.9
166.08633	1.6
172.31009	0.5
174.05458	1.2
175.89664	0.8
179.05739	1.3
179.80414	0.5
194.08101	47.3
195.08376	1.1
204.08054	1.0
216.06607	1.2
218.08408	1.4
220.63609	0.7
243.07843	2.2
253.05238	2.3
261.08975	2.3
281.04865	0.7
296.05814	19.3
297.06201	1.0
324.05362	2.8
388.25433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.3
56.96552	6.8
68.50195	5.9
69.03420	56.5
69.07052	8.2
69.36440	55.0
79.05489	10.3
80.72412	4.9
85.02869	9.7
91.05462	11.6
92.39886	5.0
93.07034	8.7
95.08583	9.9
97.02879	6.5
97.06465	6.5
98.20624	7.4
103.05455	10.4
107.02477	5.8
107.08587	15.2
109.02860	6.3
121.10128	12.7
125.09621	26.5
131.04929	17.9
131.08533	10.3
133.10147	9.7
135.07999	12.2
137.05989	29.0
138.06317	11.1
145.02798	11.3
147.04402	6.1
147.55106	5.5
149.09613	6.8
149.59343	5.9
153.09129	11.0
163.07503	7.4
167.07047	10.1
173.13208	14.7
175.03990	6.3
175.07527	28.7
177.05475	21.2
181.04944	11.1
184.76764	5.5
191.14288	84.8
201.09100	6.7
207.06505	17.0
209.15338	100.0
219.10139	18.0
267.85941	6.0
362.96912	6.1
388.20410	9.0
389.15610	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	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.17836	1.6
55.01620	2.6
55.01868	36.5
55.05505	2.7
56.96561	2.6
65.03925	8.7
67.05491	7.8
68.99760	1.6
69.03423	3.9
69.07075	2.0
71.33217	3.4
71.61571	1.8
72.08128	1.7
74.58612	1.5
79.05481	6.4
81.03400	1.8
81.07053	5.3
82.04179	3.0
84.08137	4.9
85.02901	9.5
89.03896	4.2
91.05484	11.1
93.03373	2.0
93.07038	7.2
94.04171	3.1
95.04964	13.8
95.08607	3.3
97.02845	2.2
97.06522	4.2
102.25146	1.5
103.05453	22.8
105.07018	6.0
107.04955	9.4
107.08603	2.3
108.02099	2.8
109.06525	2.1
110.03658	4.0
110.07161	2.1
112.11197	4.0
115.05428	3.8
117.03362	6.0
117.07001	6.1
119.04922	8.0
119.08583	2.1
121.06486	5.4
121.10123	3.5
122.03637	4.4
123.04378	8.7
125.05968	5.8
128.06241	3.8
129.07030	10.7
129.13861	2.6
131.04912	31.4
131.08556	4.9
133.10049	1.8
135.04382	2.3
135.07999	2.0
137.05960	52.3
138.03102	2.6
140.04691	3.7
141.06976	3.1
142.02563	2.0
145.02867	8.8
145.06459	9.8
145.10150	2.0
147.04338	8.1
147.11664	2.2
148.72275	1.8
149.05963	11.1
151.03958	4.3
151.07555	5.6
153.05450	3.2
155.06999	2.0
157.06474	10.9
158.07280	3.2
159.11697	1.8
160.05193	5.3
161.05969	7.2
161.09561	2.3
163.03850	3.6
163.07535	14.4
165.05576	2.1
165.07030	1.9
167.03523	1.8
167.07021	28.4
168.04207	2.2
169.06447	2.2
171.06528	14.0
173.05949	3.7
174.06772	8.2
175.03955	3.4
175.07526	43.9
177.05450	47.4
177.08972	2.2
178.05833	2.4
178.07903	1.8
179.06956	3.0
181.04936	100.0
182.05319	2.2
183.06488	9.8
183.92470	1.6
186.06792	2.8
187.07471	6.2
188.08289	3.5
189.07468	2.4
189.09073	17.9
191.03291	2.0
191.06982	4.2
195.10022	3.4
199.07587	2.2
201.09039	10.1
205.06708	2.1
207.06444	13.9
209.06044	3.2
209.08054	57.4
209.15408	2.5
210.15564	1.9
217.06639	3.1
217.08582	8.9
218.07285	3.6
219.08110	2.9
219.10110	36.7
221.07938	3.2
234.06717	7.7
235.07581	4.0
235.09697	4.3
247.07645	2.3
248.08269	3.4
249.09082	5.7
251.06624	1.7
261.09125	8.0
262.06268	2.0
263.07050	3.3
265.08575	3.0
277.08591	16.0
278.09299	5.0
279.10156	4.0
289.08530	2.5
291.10025	2.5
293.08176	2.4
293.11673	3.4
295.09613	2.0
307.09467	2.1
309.11148	10.1
311.12708	2.4
321.11230	5.1
339.12219	19.0
340.12427	1.9
341.13791	4.8
353.13766	2.9
359.14932	4.3
371.14877	25.4
389.08295	2.4
389.15887	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45891	0.7
54.17982	0.8
54.63346	0.8
56.96550	1.0
57.11921	0.7
64.73861	0.7
67.05494	1.3
67.76209	0.7
70.02780	4.2
81.07037	2.1
95.04893	0.9
95.08587	1.4
105.07008	2.3
107.08621	1.3
109.10127	0.9
116.98552	1.6
117.58402	0.8
119.08597	1.4
137.05997	0.8
148.84914	0.7
163.14944	0.7
190.09641	2.7
222.36290	0.8
248.74843	0.9
254.42619	0.8
276.01779	0.7
302.46780	0.8
327.19229	6.6
335.36313	0.8
355.18784	66.9
356.19162	1.8
387.21368	100.0
388.21695	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	387.3252
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05490	14.5
57.03415	25.7
57.07082	7.4
63.59972	6.7
66.08965	6.2
67.05487	28.4
69.07051	17.3
76.85902	5.5
79.05488	16.3
81.07051	48.0
83.08602	14.3
83.80624	5.8
85.06547	9.1
91.05473	17.9
93.07030	19.5
95.08612	42.8
99.83905	6.2
105.06995	24.9
107.08598	52.5
109.10141	46.0
113.09627	23.0
115.16493	6.0
117.07025	6.1
117.44603	5.7
119.08563	34.5
121.10114	29.4
123.11657	15.9
127.11177	8.9
131.08557	13.5
133.10074	21.3
135.11693	43.2
137.13213	7.0
144.22342	6.8
145.10104	20.0
147.11681	30.9
149.13252	11.6
159.11665	21.1
161.13261	28.8
163.14789	17.2
171.11594	7.9
173.13251	12.5
175.14842	10.0
185.13245	9.6
187.14790	36.4
189.16391	20.2
201.16312	19.0
203.17900	13.5
215.17809	12.1
227.17978	8.4
243.21124	15.1
244.98383	6.3
255.21071	13.0
257.22556	14.6
351.30423	33.2
351.34100	6.2
369.31485	100.0
387.32446	12.7
409.43677	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	387.2007
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.39681	7.8
57.07080	8.6
67.05491	16.7
69.03419	9.9
69.65044	16.3
69.65449	42.2
70.06585	9.0
72.81937	7.0
85.02896	21.3
85.06513	16.4
86.09706	14.2
91.05479	11.3
93.07022	11.5
95.08597	100.0
101.19588	8.6
105.07014	17.0
109.06543	9.4
110.59196	7.5
119.08572	19.5
121.10106	14.9
123.08043	51.0
127.03876	9.4
128.21436	8.1
133.10071	9.8
135.11674	23.5
149.09608	30.6
151.07536	12.7
153.01913	10.3
157.59595	7.8
163.11137	15.5
189.12706	18.7
207.13765	93.0
214.48016	8.4
225.07217	14.1
225.11076	11.1
226.94005	9.7
253.45224	7.7
387.16119	26.4
387.20496	9.8
391.37909	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	387.2009
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.03932	3.6
55.01855	3.9
55.05500	2.4
57.03426	9.4
57.07061	3.3
59.04987	2.3
61.02928	10.6
67.05482	3.3
69.03080	2.0
69.03429	31.6
69.07047	2.3
70.06606	1.2
71.04973	4.7
71.60009	1.2
72.08129	1.1
72.80291	1.0
73.02898	3.8
79.05499	4.9
79.54653	1.1
81.03410	12.7
81.07044	7.2
83.05003	5.4
85.02903	72.0
85.06515	3.6
86.09702	2.0
87.04473	5.7
91.03940	6.0
91.05482	4.8
93.07045	5.0
95.04967	10.4
95.08609	9.0
97.02888	29.3
97.06528	5.3
99.04438	5.8
103.05437	1.7
105.07024	10.3
107.04881	1.5
107.08609	6.9
108.05714	2.6
109.02848	6.9
109.06490	4.7
109.10142	1.9
115.03981	1.6
117.07018	2.1
119.08551	6.3
121.06516	7.7
121.10137	8.2
122.03648	1.5
122.07140	1.4
123.08061	56.2
125.05997	9.5
127.03918	20.7
131.08534	2.7
133.06467	4.5
133.10110	8.3
135.08046	5.0
135.11650	3.5
137.05977	21.2
137.09550	2.5
145.02615	1.3
145.04964	31.1
145.06155	1.9
145.10126	5.5
147.08008	1.5
147.11653	4.9
149.09593	3.7
150.23315	1.1
151.07535	99.3
153.01872	2.3
153.09090	4.8
161.13245	2.9
163.05969	2.4
163.11177	58.3
164.11505	1.5
165.09097	1.1
165.12781	1.2
167.07085	2.8
171.11653	2.4
174.10419	1.1
181.04913	2.8
181.12221	30.1
189.12732	20.7
191.14302	3.1
192.11417	1.4
205.08649	1.0
207.13795	100.0
208.14076	1.8
209.15370	6.3
225.14839	13.4
357.13135	2.5
363.04230	1.3
387.14441	4.7
387.20035	52.9
388.20349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2895
Annotation	Mycestericin D
Peak:m/z	Relative Intensity
52.03308	1.1
55.05523	1.4
56.05028	3.2
57.07070	11.7
59.96268	1.1
60.51291	1.3
67.05505	3.3
69.07058	2.3
71.08616	8.2
71.59412	2.1
81.07040	6.0
83.08614	2.8
84.04496	100.0
85.02926	1.7
85.10171	3.0
85.48757	1.1
95.08597	6.7
102.04845	2.0
102.05528	37.0
109.10152	4.0
111.02010	1.0
123.11753	1.9
130.04987	87.1
148.06033	78.4
148.07280	1.1
239.23660	2.9
257.61166	1.4
321.85980	1.4
386.29684	8.5
386.39783	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	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.01582	0.2
51.02367	0.2
53.03934	0.3
55.01865	0.5
55.05503	0.2
57.03423	0.2
59.74646	0.2
64.18053	0.1
65.03938	1.9
66.04712	0.4
67.05495	1.0
69.03417	0.4
69.07057	0.3
71.04967	0.3
71.12171	0.3
72.45052	0.2
77.03963	0.2
77.77049	0.1
78.04711	0.2
79.05502	1.2
79.15167	0.1
81.03407	0.6
81.07048	0.9
82.04195	0.4
83.05011	0.2
85.02904	1.6
85.32063	0.1
91.05482	1.4
93.03398	0.4
93.07036	0.4
94.04182	3.2
95.04950	0.9
95.08578	0.3
97.06527	0.4
103.05464	2.6
105.03366	0.3
105.07034	0.7
107.04954	1.3
107.08573	0.4
108.02072	0.5
108.23482	0.2
109.06491	0.5
109.10126	0.4
110.03651	0.8
111.04421	0.7
115.05453	1.9
117.07029	1.9
118.04153	0.5
119.04894	0.3
119.08575	0.4
121.06493	0.5
122.03646	8.0
123.04399	0.6
123.08038	0.2
123.11665	0.3
124.05194	0.3
124.54353	0.1
125.05978	0.7
127.05438	0.2
128.06212	0.2
129.07050	0.2
130.04147	0.2
131.04921	2.5
132.05702	0.2
133.02792	0.2
133.06468	0.5
135.04408	0.2
135.07956	0.2
135.11667	0.2
137.05971	100.0
138.03107	0.6
138.06325	0.9
141.05458	0.2
142.02594	0.7
143.04913	2.8
145.06477	2.7
146.03624	0.3
147.04456	0.3
147.08054	0.5
148.05168	1.4
151.03899	7.8
151.04985	0.5
151.11269	0.2
152.04602	0.2
153.05424	0.4
155.06076	0.4
159.11687	0.2
160.05150	0.2
161.05991	0.6
163.07547	2.4
165.05426	0.3
167.07037	9.9
171.04362	0.4
171.06522	1.6
173.05974	3.2
175.07529	1.3
176.04709	0.4
177.05431	0.2
181.04948	24.3
182.05276	0.3
187.07547	0.5
190.06320	0.2
191.07018	8.2
195.06544	0.4
203.06978	1.5
205.06725	0.3
205.08615	2.2
205.86287	0.2
207.17397	0.3
209.08060	0.3
217.08591	0.2
221.07962	0.4
231.08257	0.2
233.08035	1.1
234.06784	0.2
235.09628	1.7
249.09000	0.2
252.35611	0.2
276.07739	0.2
277.08484	0.3
295.09723	0.3
309.11243	0.3
314.11502	0.3
319.09622	0.3
325.10504	0.2
327.12424	0.3
337.10791	0.3
341.13467	0.2
351.12256	1.1
355.11804	0.4
357.13315	11.3
358.13626	0.3
369.13287	0.9
387.14374	24.6
388.14587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.08936	1.9
53.03949	2.5
55.01859	3.0
55.05499	5.6
57.03421	5.2
61.02915	6.5
67.05492	7.3
69.03423	22.4
69.07042	4.0
69.44931	8.9
69.45361	8.0
71.04978	3.9
79.05473	10.5
81.03413	13.7
81.07053	9.2
83.04953	3.8
85.02896	46.1
87.04461	4.3
91.03941	2.2
91.05484	12.5
91.52558	2.0
93.07050	10.1
95.04962	6.9
95.08587	12.1
97.02889	19.8
97.06506	2.9
98.20683	3.1
99.04435	5.3
99.08070	2.6
105.07023	48.7
107.04988	2.3
107.08573	10.7
109.02859	5.7
109.06499	9.9
109.10136	4.3
117.07024	3.1
119.08572	38.3
121.06525	5.2
121.10130	11.3
123.08056	84.6
125.05967	2.3
127.03882	12.0
133.10118	7.8
135.08038	13.0
135.11659	3.3
137.05965	10.2
145.04939	8.2
145.10138	4.0
147.11671	86.5
149.09612	12.0
151.07542	15.5
151.11102	10.0
155.98871	2.4
161.09521	2.0
161.13298	3.3
163.11153	13.1
165.12729	65.0
167.07077	2.4
167.10629	3.4
167.57964	1.9
171.11653	1.8
177.12680	2.9
179.14221	3.3
181.04956	3.6
181.12206	14.1
189.12738	6.0
193.12288	6.4
207.13776	100.0
209.15318	2.2
211.13269	4.6
225.14812	25.3
243.09048	2.4
387.14948	3.2
387.19989	31.1
399.96204	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	386.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	5.9
56.96545	3.2
57.03433	17.5
60.49776	1.8
61.02927	14.2
69.03423	34.8
70.06577	2.9
70.97514	2.5
70.97840	3.1
71.01353	3.6
71.04987	2.0
73.02912	89.9
77.28712	1.9
81.03417	10.8
83.24533	1.7
85.02898	100.0
87.04439	4.6
91.03928	5.2
97.02888	57.4
99.04444	4.5
103.03887	4.0
106.36420	1.8
109.02843	7.5
115.03909	28.8
127.03898	36.0
133.04948	37.3
145.02785	2.6
145.04939	59.6
147.04382	4.2
150.07632	3.6
153.01811	7.4
163.04718	2.3
163.06003	32.7
195.41194	2.0
198.27692	2.1
223.05971	4.7
237.13298	4.6
241.07079	3.6
259.08063	8.3
263.98129	1.9
277.09229	2.2
295.10086	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	386.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
53.32248	1.3
55.01866	2.8
55.05509	10.3
56.96553	2.3
57.03432	3.5
57.07072	13.9
57.62355	1.2
61.02920	3.5
65.03954	1.5
67.05510	5.8
69.03427	8.7
69.07057	2.4
70.02946	2.1
70.06583	2.1
71.04996	5.2
71.59776	1.8
73.02915	2.8
73.06548	1.7
74.02430	3.8
79.05495	4.7
81.03420	8.0
81.07046	7.2
83.01309	1.1
83.04984	2.6
83.08604	3.6
84.08142	1.4
85.02898	27.9
85.06551	1.9
88.04005	5.5
89.03884	1.2
89.06028	65.5
91.03939	2.1
91.05473	8.5
93.07046	9.8
95.04975	4.5
95.08598	5.3
97.02885	11.4
97.06530	4.1
99.04440	2.7
101.09650	12.5
101.95734	1.0
103.05470	2.1
105.07030	12.9
106.67181	1.3
107.04954	2.2
107.07069	4.0
107.08599	8.1
109.02876	3.1
109.06503	3.5
109.10156	3.4
111.04388	1.2
111.08067	1.7
116.03469	1.2
116.98646	1.7
117.06978	2.3
119.04908	1.8
119.08560	10.4
121.06507	4.3
121.10155	4.2
123.08063	11.6
127.03922	7.0
131.04945	1.2
131.08577	1.5
133.08594	19.7
133.10162	3.8
134.03609	1.3
134.04495	8.7
135.04451	1.8
135.08078	3.6
137.05971	7.9
137.09705	1.1
139.07547	2.0
145.04935	5.1
145.10205	2.4
145.12253	12.5
147.04424	2.1
147.10501	1.5
147.11668	18.3
149.05968	1.9
149.09592	4.1
149.13255	1.6
151.03889	5.5
151.07648	7.0
151.09644	31.1
153.01834	5.9
153.05435	1.3
157.10136	1.3
159.11601	1.7
161.05978	2.4
163.03877	1.2
163.11195	7.9
165.09119	1.1
165.12758	10.6
167.07088	2.6
175.07452	1.3
175.11180	2.6
177.01884	1.7
177.05446	2.4
179.03329	2.7
181.04961	3.5
181.12204	6.0
186.02127	1.1
189.09155	1.7
189.12752	3.3
191.14243	1.4
193.12277	4.7
199.11043	1.4
203.03401	2.3
207.06483	1.2
207.13847	21.7
207.15930	100.0
208.16299	2.8
211.13298	2.9
217.12303	2.1
220.06018	1.3
225.14850	4.7
227.14297	1.0
227.16527	1.2
230.10341	1.6
231.27841	1.1
266.06638	4.3
278.17438	2.6
304.15674	1.3
307.09946	1.4
342.19281	1.8
368.16370	2.0
386.12146	7.3
386.17142	1.2
387.14386	3.2
387.19955	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	385.3097
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03933	2.4
55.05507	10.2
56.96556	1.5
57.03429	44.2
57.07071	1.9
60.62585	1.5
67.05498	23.6
69.07053	7.8
70.72517	3.3
70.72890	3.9
73.06537	3.4
74.88396	1.6
77.03941	1.8
79.05492	15.6
80.00494	1.7
81.07047	44.8
83.04964	2.0
83.08599	6.5
85.06532	12.2
91.05462	17.6
93.07035	33.1
95.04967	2.8
95.08591	37.0
97.06522	3.5
97.10139	3.6
99.08087	2.3
105.07017	33.4
107.08577	40.3
109.00582	1.5
109.06497	2.8
109.10148	21.3
111.08053	12.9
113.09625	49.7
117.06993	4.8
119.08562	31.1
121.10123	26.2
123.08018	2.0
123.11674	9.5
125.09640	3.2
129.06967	3.4
130.23418	1.6
131.08551	19.9
133.10121	31.5
134.10429	2.2
135.11664	33.7
137.09589	7.0
137.13235	2.3
142.07730	1.7
143.08540	10.4
145.10103	35.4
147.11668	33.0
149.13240	9.7
151.11176	14.5
155.08537	3.5
157.10101	14.7
159.11670	37.3
161.13231	27.5
163.14854	3.5
165.12733	5.9
169.10080	8.2
171.11688	12.0
173.13234	17.5
175.14842	12.1
177.12865	2.1
177.16324	3.1
179.14314	4.4
181.10080	1.6
183.11670	5.1
185.13190	15.9
187.14798	26.1
189.16312	10.4
195.11655	1.9
197.13246	6.3
199.14833	11.5
201.16350	15.9
202.16673	1.7
203.14282	1.7
203.17909	10.3
205.15762	2.6
211.14801	4.8
213.16357	27.8
215.17928	10.5
217.19464	2.6
219.17569	2.1
225.16368	3.4
227.17911	6.1
231.17400	2.8
237.16318	2.5
239.17902	11.4
241.19481	12.3
251.17911	2.4
253.19522	5.4
255.21063	47.2
256.21518	3.1
257.18866	2.6
257.22623	7.5
259.20642	3.1
265.19370	3.9
267.21078	5.0
271.20587	3.8
273.22174	10.3
279.20999	6.1
283.24179	3.3
285.22125	2.3
295.24252	13.4
297.22076	1.8
307.24258	2.1
309.25717	2.8
313.25232	9.0
349.28876	34.9
350.29330	2.3
355.14197	1.6
367.29922	69.4
368.30328	6.1
385.08884	2.5
385.30951	100.0
386.31268	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	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01859	3.0
55.05510	1.6
57.03431	7.1
57.07055	1.4
61.02916	11.3
67.05499	3.6
69.03433	21.2
69.89405	9.0
71.04989	4.1
71.80470	1.3
73.02911	6.1
77.87405	1.5
78.74603	1.7
79.05494	34.7
81.03420	8.6
81.07057	2.6
85.02902	96.9
85.06543	40.0
91.03964	4.7
92.73769	1.3
95.04958	5.7
95.08645	1.6
97.02894	25.0
98.21447	1.7
99.04462	4.7
102.13693	1.6
105.03390	42.7
106.63616	1.5
109.02892	8.1
109.06504	1.9
115.03939	1.8
121.06529	2.0
123.04424	100.0
124.04794	2.1
127.03912	23.9
135.08069	1.7
137.06004	14.0
145.04962	41.4
151.07510	1.8
152.23425	1.3
163.06067	8.7
163.07341	1.9
167.07077	3.1
181.05045	2.9
189.09094	10.2
206.15343	2.3
220.68811	1.5
224.16556	6.2
229.10704	2.0
303.85498	1.6
386.16776	2.5
387.14310	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	385.3097
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
51.77535	4.4
55.05496	17.5
57.03429	18.1
61.81902	4.8
67.05499	26.0
69.07054	15.3
69.33716	49.7
71.04980	4.8
79.05485	21.5
81.07059	49.0
83.08598	9.2
85.06546	9.7
91.05492	30.0
93.07017	40.3
95.08591	42.5
97.10182	7.2
98.20689	8.0
105.07017	50.1
107.08568	44.9
109.06506	5.1
109.10107	26.5
113.09632	30.5
117.07014	19.1
119.08578	46.9
121.10125	34.6
123.11642	7.6
129.06984	6.4
131.08575	33.1
133.10147	46.4
135.11702	28.7
143.08559	14.1
144.48531	4.4
145.10089	31.2
147.11658	30.2
149.02283	10.1
149.13287	11.2
157.10127	13.7
159.11688	59.3
161.13271	32.2
163.14792	5.3
171.11685	8.5
173.13251	41.5
175.14825	20.2
177.12743	5.8
177.16367	9.3
183.11681	9.0
185.13277	16.9
187.14807	32.9
187.96916	5.1
188.21310	4.5
189.16415	24.3
191.14246	8.0
193.23857	4.5
199.14809	13.7
201.16434	14.7
205.16179	5.6
211.14832	6.8
213.16383	12.7
225.16618	4.8
227.17935	8.7
239.17982	10.9
263.82199	4.8
266.94608	6.0
279.21216	9.1
295.24109	15.1
349.28934	44.7
367.29953	100.0
368.30023	5.2
385.09189	11.6
385.30984	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1852
Annotation	Artesunate
Peak:m/z	Relative Intensity
53.03944	8.5
55.01860	5.9
55.05498	12.3
56.96548	2.4
57.03425	5.2
58.43269	1.5
59.04987	2.4
61.02911	11.8
65.68880	1.5
67.05485	2.6
69.03418	34.2
69.07047	4.3
70.76762	3.2
70.77106	1.8
71.04976	3.9
73.02910	4.9
79.05476	11.3
81.03408	14.0
81.07060	3.8
83.04986	11.4
83.08614	1.6
85.02894	66.1
87.04459	7.4
91.03933	3.5
91.05468	13.4
93.07033	8.6
95.04951	18.6
95.08586	5.2
97.02875	24.3
97.06503	3.6
98.97539	2.5
99.04452	5.4
105.07022	4.9
107.04967	3.8
107.08589	4.2
108.24896	1.4
109.02864	8.6
109.06492	9.1
110.82510	1.5
115.03915	1.7
116.98626	1.6
117.06997	2.6
119.08585	3.6
121.06490	93.3
121.10170	6.1
123.08052	72.6
127.03873	14.2
129.22243	1.5
131.08592	1.9
133.10168	2.3
134.04536	1.5
135.08038	8.4
135.11652	4.8
137.05963	7.1
137.09622	3.0
139.07516	27.8
145.04939	10.5
145.10071	2.3
149.05992	4.5
149.09593	26.7
151.07532	2.1
159.11609	2.8
161.09598	5.7
162.62912	1.6
163.07498	3.3
163.11151	11.7
165.09076	16.8
165.12788	2.0
167.06992	12.5
175.07358	1.6
177.12701	21.5
177.14018	1.9
179.10645	22.0
181.08614	1.6
187.11194	2.6
189.12715	4.0
193.08621	1.7
205.12206	100.0
206.12598	3.2
207.13783	15.6
223.09464	2.0
223.13228	25.1
283.11685	2.4
290.08838	1.4
301.12778	3.9
311.11270	3.0
367.13925	2.3
385.07648	2.1
385.14029	11.8
385.18765	24.4
386.18692	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	384.1145
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
52.33141	0.3
55.01853	1.1
57.03436	2.0
60.92461	0.3
61.02892	0.3
68.16588	0.3
69.03391	1.6
69.39843	2.5
69.40252	0.6
71.01332	0.9
73.02885	1.2
85.02898	1.7
97.02858	0.9
98.21269	1.4
110.07053	0.4
115.03912	0.7
119.03528	0.7
121.05090	1.3
131.05005	0.3
133.04837	0.4
135.06639	1.2
136.06168	19.4
137.04570	1.2
148.06158	6.6
155.05591	0.6
160.06163	0.6
162.07732	37.9
162.97131	0.3
163.07988	0.5
184.50793	0.4
188.05647	14.2
192.05136	18.4
206.06706	6.9
206.08427	0.6
216.05217	0.7
234.06195	12.3
238.05199	0.5
252.07251	100.0
253.07558	3.2
289.03311	1.1
302.14392	0.4
325.20685	0.4
384.11450	24.8
385.11722	1.2
386.71710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10398	1.1
67.76068	1.1
70.08586	2.9
70.09003	3.7
93.36401	1.0
98.97566	2.0
116.98597	2.9
119.01907	4.8
134.99641	2.9
137.02956	2.8
153.00859	1.1
177.00937	15.2
178.01074	1.6
179.00671	1.4
201.86671	1.0
217.04100	2.9
219.00046	2.1
219.01974	24.4
219.03929	1.8
220.01967	1.6
221.01796	2.7
225.00978	3.6
234.99878	1.9
236.99783	3.5
237.99838	1.5
243.01877	5.6
255.00984	1.3
258.99957	4.5
260.00076	2.1
260.99921	8.0
261.03015	100.0
262.00296	1.4
262.03107	4.8
263.02982	1.7
277.00937	6.9
278.01126	3.4
279.00827	14.1
280.00854	3.4
282.99954	4.7
283.99945	2.5
284.04758	1.9
284.99762	17.1
285.99832	2.7
301.01047	14.5
302.01053	7.2
303.00824	45.8
304.01077	8.7
321.01904	4.0
343.02133	4.4
344.01855	1.4
361.01205	11.8
379.02521	6.1
385.03360	12.2
403.00266	4.6
403.04144	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	385.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
56.96568	0.5
65.03936	0.7
65.51994	0.4
67.05482	0.7
69.20493	0.4
70.02234	2.0
79.05476	2.7
81.07040	1.0
91.05473	4.4
93.07021	1.7
94.04182	2.6
95.04965	0.9
98.97566	0.6
100.11246	0.7
103.05445	1.6
105.07023	4.2
107.04945	1.2
107.08572	1.1
107.48509	0.4
108.05706	1.2
109.06477	1.0
115.05435	3.9
116.98657	0.5
117.07009	3.0
119.04958	1.9
119.08557	1.2
121.06520	1.6
122.03631	7.6
123.08023	2.8
128.06197	5.6
129.06995	1.4
131.04918	2.3
131.08522	0.6
132.05708	1.3
133.02837	1.6
133.06480	4.7
133.10121	0.7
135.00827	0.4
135.08012	1.4
136.05177	1.4
137.05963	100.0
138.06299	1.6
141.07019	0.5
143.04893	2.5
143.08556	6.5
144.05649	0.7
145.06477	2.3
146.03561	0.6
147.04410	1.3
147.08032	1.8
149.05966	1.5
149.09608	1.0
151.03908	0.9
151.07527	28.7
152.07819	0.5
153.06946	0.6
155.08559	0.5
157.06462	0.9
159.04337	0.6
159.08006	0.7
160.05164	5.1
161.05954	3.4
161.09586	0.5
163.07544	2.3
163.92215	0.4
165.05489	1.0
165.06921	0.6
165.09126	2.3
167.07039	0.9
171.04369	0.5
171.08029	12.4
173.05954	0.6
174.06699	0.9
174.40883	0.4
175.07527	33.5
176.08043	0.6
177.05478	2.9
177.09093	3.2
179.07030	0.6
183.08015	1.2
187.07512	0.5
188.04747	0.4
189.05466	0.8
189.09071	2.9
191.07030	1.3
193.08577	1.2
195.10143	13.0
195.11852	0.8
199.07600	0.7
201.09065	0.6
202.07829	0.6
203.07002	4.6
203.08627	0.5
203.10622	7.2
205.12285	0.5
207.08177	0.5
209.08044	1.0
213.93672	0.5
217.08614	1.5
219.07996	1.3
219.10181	2.7
220.08807	0.6
221.08040	0.7
224.08229	0.5
229.10129	0.9
231.08020	1.4
233.09622	0.6
235.09599	1.0
237.08861	0.5
243.10129	0.5
245.09642	0.8
246.10269	0.6
247.07565	1.3
248.08244	1.5
249.08978	0.9
250.06267	0.6
257.09641	2.0
259.07608	1.4
261.08856	0.6
261.11246	1.3
263.07108	0.9
263.10599	1.2
265.08591	0.8
273.09070	1.3
274.09805	1.3
275.06900	0.5
275.10760	0.5
276.07758	1.4
277.08545	1.2
278.09332	0.9
279.06918	0.4
279.10123	1.0
285.09140	1.2
289.08829	0.5
289.12189	1.2
291.06937	0.6
291.10114	3.8
292.10965	0.5
293.08081	0.9
296.10510	0.7
297.11328	1.1
302.09436	1.3
303.10123	1.6
305.11697	1.0
306.08762	1.1
307.09586	1.2
307.13077	0.8
308.10455	1.9
309.11267	0.9
311.12692	3.1
313.14444	0.5
317.11667	3.9
318.12219	0.5
319.09579	0.8
321.11252	3.1
323.12692	6.3
324.13382	0.6
325.13766	0.6
334.11789	0.7
335.12711	5.6
339.12225	1.5
339.15958	1.5
341.13705	0.6
349.14325	3.2
357.16934	1.7
367.15359	11.6
385.07373	1.6
385.16388	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	383.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58488	2.8
55.05490	9.8
57.07053	11.3
67.05499	18.8
69.07060	21.4
71.08610	11.3
71.59203	2.8
71.59673	3.9
79.05476	9.1
81.07053	42.1
83.08617	18.2
85.10149	5.8
91.05448	7.4
93.07026	22.0
95.08599	51.2
97.10175	11.8
103.05354	3.2
105.07019	19.1
107.08604	24.8
109.10154	30.0
111.11704	6.4
119.08583	14.1
121.10117	19.0
123.11697	11.1
131.08533	4.6
133.10106	20.2
135.11659	29.6
137.13242	5.2
145.10097	7.3
147.11676	16.8
149.13225	19.4
159.11696	6.8
160.33087	2.7
161.13263	26.6
163.14828	12.8
173.13182	4.6
175.14835	11.9
177.16248	3.0
187.14813	4.6
189.16360	16.8
189.62906	3.2
201.16548	3.5
203.17961	13.9
215.17876	22.3
217.19621	5.2
229.19518	4.9
239.71382	2.9
243.21025	8.0
247.24269	5.6
257.22623	10.3
273.25781	8.9
301.28806	11.3
315.68674	3.5
351.95178	3.5
383.36725	100.0
384.37161	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	383.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.9
57.03431	27.9
57.07057	1.5
59.44605	0.7
67.05171	1.1
67.05499	15.0
69.07063	4.5
70.07001	1.9
70.07399	2.1
71.04975	0.9
79.05486	10.3
81.07050	20.2
83.04974	1.2
83.08620	4.0
85.06531	13.5
91.04952	1.2
91.05470	13.0
91.43905	0.9
93.07028	16.8
95.04967	1.7
95.08595	28.3
97.06531	1.7
97.10133	2.5
99.08050	2.3
105.07016	21.0
106.07285	0.9
107.04955	1.5
107.08582	14.3
109.06469	1.8
109.10141	12.1
111.08045	4.1
113.09628	33.8
117.07036	4.0
119.08559	15.0
121.06490	2.7
121.10124	10.0
123.08046	6.4
123.11667	3.7
125.09558	1.4
127.11169	1.4
128.06229	1.4
129.06978	5.5
131.08556	11.8
133.10109	17.3
135.11671	10.2
137.09612	2.2
137.13246	1.7
139.11151	1.1
141.06963	2.9
142.07750	3.2
143.08530	11.1
145.10110	15.4
147.11658	10.2
149.09612	1.1
149.13261	3.6
151.11163	4.9
151.14716	1.0
155.08531	8.2
156.09358	1.6
157.08891	1.6
157.10098	13.8
159.10434	1.5
159.11684	20.9
161.09622	2.7
161.13235	6.3
163.11151	2.6
165.12663	1.0
167.08583	1.9
168.09264	1.0
169.10127	9.1
170.10875	2.1
171.11673	7.3
173.09633	1.6
173.13239	6.6
175.11182	8.3
175.14781	3.2
177.12737	3.6
177.16339	1.6
179.14288	1.4
181.10123	3.2
182.10905	1.6
183.11681	11.1
184.12367	0.9
185.13203	7.9
187.11224	1.2
187.14807	6.8
189.12677	1.3
189.16425	2.0
191.14220	1.1
195.11691	4.3
196.12439	2.1
197.13281	7.7
199.14815	5.7
201.16356	2.9
203.14313	0.9
207.11649	1.1
209.13229	10.0
210.13913	1.2
211.14787	23.6
212.15378	1.1
213.16373	5.5
215.14363	1.7
215.17949	2.9
217.15863	1.3
221.13217	1.6
223.14799	3.2
225.16379	4.9
227.14288	1.5
227.17970	2.7
229.15874	5.3
229.19348	1.4
231.17433	2.6
235.14825	1.5
237.16339	7.2
239.17844	4.3
241.19366	1.8
243.17545	1.1
247.08565	2.0
249.16322	5.2
251.17934	4.9
252.18709	4.1
253.19504	16.1
255.17419	5.1
255.21082	2.2
257.18842	0.9
263.17944	2.5
265.19559	2.6
267.17633	1.3
267.20984	1.2
269.18951	3.0
270.19711	14.8
271.20514	9.6
277.19415	4.0
278.20090	1.2
279.20966	1.2
281.19275	1.1
281.22617	3.4
283.20432	1.3
291.21185	2.2
293.22607	8.6
295.20508	1.2
299.23703	2.7
305.22577	1.2
307.24179	2.0
307.37207	0.8
309.22021	2.1
311.23532	7.7
323.23785	1.3
325.25174	1.5
337.28989	1.8
347.27280	21.1
348.27643	1.1
365.28336	41.8
366.28726	1.4
383.29388	100.0
384.29840	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03929	6.0
55.01860	3.9
55.05304	1.6
55.05508	16.9
56.96544	8.0
57.03431	2.7
57.07072	11.7
59.04978	3.1
65.03933	2.3
67.05499	30.7
69.03419	13.8
69.07064	10.0
70.85123	4.7
70.85481	2.3
71.04974	7.1
76.01672	1.6
77.98549	1.9
78.68032	1.8
79.05485	35.2
81.03408	3.2
81.07050	34.4
83.04945	6.4
83.08598	2.5
85.02916	2.6
85.06525	6.2
91.05468	44.7
93.07033	100.0
95.04959	32.1
95.08038	3.0
95.08596	37.5
95.18848	1.9
97.06518	11.6
105.04555	2.2
105.07018	83.3
107.04967	2.5
107.08585	37.1
109.06501	26.0
109.10139	22.0
111.08062	8.1
115.05432	3.3
117.07014	11.7
119.04919	2.4
119.08569	49.9
120.09373	2.5
121.06494	13.0
121.10132	43.8
123.08047	32.4
123.11723	2.8
128.06181	8.9
129.06992	12.2
130.07761	5.4
131.08568	22.2
133.06445	7.8
133.10107	26.8
135.08043	25.6
135.11653	4.1
137.05940	2.6
137.09590	12.3
141.06958	5.7
142.07784	21.6
143.08549	20.7
144.09300	5.7
145.06491	3.9
145.10106	33.3
147.08029	25.8
147.11650	11.0
148.08797	3.5
149.09595	27.5
151.07529	35.1
153.09102	3.4
155.08554	6.3
156.09338	6.1
157.10103	31.9
159.08112	11.1
159.11667	15.8
160.08804	4.7
161.09618	17.5
161.13248	9.1
163.07542	2.9
163.11134	4.1
165.09099	34.3
169.10092	3.9
170.10893	6.4
171.11667	8.3
173.09618	10.4
173.13242	6.8
175.11145	17.3
175.14793	7.5
177.09103	11.1
177.12694	2.3
178.09908	2.9
179.08530	3.2
183.11713	5.0
185.09634	4.2
185.13266	14.6
187.11165	6.1
187.14861	2.4
189.12733	9.8
191.14246	3.5
195.11694	4.6
197.09657	2.7
197.13234	2.2
199.11121	3.2
199.14757	1.8
201.12668	6.5
203.14296	26.2
207.11909	2.6
207.13652	10.1
209.13271	3.4
209.15340	4.1
211.14890	3.7
213.12643	2.7
215.10922	2.0
215.14317	5.2
216.15076	3.4
219.13759	6.0
221.13448	2.5
221.15341	70.8
225.12639	3.9
227.14261	4.0
231.13855	3.6
233.15308	6.0
234.16147	12.7
237.14754	3.3
243.13713	4.0
249.16241	3.1
251.11389	2.5
263.17966	2.6
265.16043	2.1
269.12320	2.5
271.17261	2.3
279.17593	2.7
281.18936	2.7
286.19165	5.0
287.05856	2.3
287.20023	6.5
299.19974	5.1
303.19565	4.5
323.09360	2.4
323.59338	2.5
347.23618	2.3
359.60962	2.2
360.10831	3.2
365.24750	8.8
383.25720	54.3
383.30563	3.6
384.25943	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	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69561	3.1
51.54339	2.9
53.03936	5.6
53.75655	2.7
55.01874	4.7
55.05503	14.7
57.07068	11.6
59.04992	9.1
61.02909	4.0
67.05501	41.6
69.03417	15.3
69.07061	13.1
71.04982	8.5
73.02906	3.0
79.05486	34.5
81.03391	3.5
81.07048	44.5
83.04967	9.7
85.02898	6.8
85.06535	8.2
91.05470	38.5
93.07031	100.0
95.04973	29.0
95.08595	46.6
97.02910	3.5
97.06527	11.3
99.04441	5.2
103.05476	3.4
105.07016	71.7
107.04981	3.3
107.08588	40.3
109.06513	24.7
109.10143	34.0
111.08091	8.4
117.07038	11.6
119.08570	55.4
121.06489	16.3
121.10128	36.9
123.08073	25.9
123.11707	3.5
128.06186	8.0
129.06987	7.9
130.07774	4.0
131.08577	19.4
133.06491	7.6
133.10126	26.6
135.08018	19.3
135.11673	8.4
137.09589	11.3
142.07771	18.8
143.08517	22.2
145.10104	39.3
147.08049	23.1
147.11681	13.6
149.09608	20.8
151.07530	38.0
155.08585	6.0
156.09346	5.2
157.10118	40.0
159.07954	5.0
159.11700	14.0
161.09641	19.7
161.13156	7.5
163.11151	9.9
165.07080	3.8
165.09073	41.2
168.09419	4.3
169.10146	6.7
170.10844	5.3
171.11700	7.7
173.09601	9.6
173.13298	10.6
175.11169	19.3
175.14793	8.8
177.09084	9.3
183.11729	8.5
185.13284	16.4
187.11102	6.1
187.14763	5.2
189.12741	9.0
195.11778	4.9
199.11230	4.0
199.14732	3.6
201.12709	7.1
203.14285	26.5
207.13806	12.7
209.13287	4.2
209.15298	4.1
213.12823	3.7
215.14281	7.0
219.13687	5.2
221.13306	3.0
221.15344	74.9
225.13017	4.4
227.14224	4.7
229.12714	3.9
233.15463	5.9
234.16180	11.2
236.66768	3.7
269.12357	4.6
281.19055	4.0
286.19174	5.2
287.20126	7.5
299.20166	5.0
303.19446	5.9
304.49045	4.0
309.18472	3.6
365.24713	7.5
383.20413	62.9
383.25766	48.5
383.29700	4.3
384.20911	6.5
384.26016	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.0
53.35776	2.5
55.05489	10.4
56.96548	6.8
57.03428	3.1
57.07085	13.0
59.04978	7.7
61.02892	4.4
64.12463	2.6
65.03920	6.0
67.05500	35.6
67.21690	2.4
69.03413	15.8
69.07049	12.2
71.04984	3.9
79.05491	30.4
81.03385	3.4
81.07050	40.4
83.04967	11.5
83.08585	4.5
85.06528	9.1
91.04966	3.4
91.05474	46.9
93.06459	5.5
93.07035	98.1
95.04958	29.3
95.08603	47.2
97.02872	2.9
97.06532	15.1
98.20649	5.0
103.05442	3.7
105.07021	85.7
107.04968	2.8
107.08583	53.3
109.06520	26.0
109.10152	21.1
111.08047	10.9
115.05387	3.0
117.06995	15.2
119.08574	57.4
120.09320	3.1
121.06510	16.4
121.10130	54.6
123.08047	29.8
128.06200	11.9
129.07022	16.6
130.07796	3.6
131.08569	31.0
133.06462	10.3
133.10126	35.2
133.73924	2.7
135.08034	29.8
135.11717	5.1
137.06000	3.6
137.09625	14.1
141.06990	7.0
142.07773	24.3
143.08560	32.0
144.09314	4.7
145.06464	4.7
145.10129	38.8
147.08041	29.4
147.11670	20.4
148.08778	4.2
149.09618	36.3
151.07533	46.5
155.08521	10.2
156.09291	9.6
157.10120	38.8
158.10774	2.5
159.08025	9.6
159.11673	17.9
160.08788	4.7
161.09592	21.4
161.13277	7.0
163.07620	2.6
163.11119	7.2
165.09084	51.2
169.10098	4.9
170.10901	6.7
171.11636	10.4
173.09637	12.8
173.13258	8.0
174.10512	3.1
175.11168	21.7
175.14772	8.1
177.09087	12.9
178.09886	3.6
179.10603	3.8
181.10165	4.4
182.10822	4.5
183.11673	6.9
184.12253	3.2
185.09647	3.9
185.11664	3.0
185.13196	19.1
187.11177	10.2
187.14796	4.0
189.12756	11.5
195.11526	4.3
197.13188	6.6
199.11142	5.0
201.12738	13.3
203.14311	30.3
207.11736	4.2
207.13777	16.2
209.13205	5.0
209.15268	5.2
211.11198	4.5
211.14746	3.0
213.12813	3.9
215.14325	4.9
219.13757	7.6
219.60022	3.1
221.13312	3.9
221.15344	100.0
225.12624	4.2
227.14397	6.4
231.13789	4.9
233.15341	10.9
234.16107	22.1
269.12305	5.2
271.16833	3.5
281.19006	3.7
286.19415	4.1
287.20001	11.6
291.17371	3.0
299.19949	9.7
303.19534	11.6
309.18338	4.1
323.59647	4.3
347.23843	5.5
353.18567	3.2
360.10751	3.7
360.60718	4.1
365.24661	11.3
383.25674	69.0
384.26004	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21100	3.6
53.03943	8.9
55.05499	15.9
57.03430	5.0
57.07061	11.6
59.04999	7.5
63.93450	3.7
67.05498	45.6
69.03432	20.1
69.07066	16.9
71.04987	7.6
76.53791	3.3
77.03953	3.2
79.05489	35.3
81.07055	50.1
83.04956	7.6
83.08612	4.1
85.02885	4.7
85.06530	5.4
91.03941	5.0
91.05473	46.5
93.07040	100.0
95.04967	29.8
95.08599	50.6
97.02875	3.8
97.06526	17.0
98.20714	10.7
105.04584	4.8
105.07024	81.9
107.08600	53.0
109.06504	26.7
109.10151	33.8
111.08096	11.8
117.07005	11.0
119.08585	58.9
121.06517	18.7
121.10139	46.2
123.08064	28.7
125.37708	3.8
127.11174	4.0
128.06210	8.4
129.06998	14.2
130.07768	3.9
131.08551	28.7
133.06503	6.1
133.10120	37.6
135.08060	16.7
135.11678	10.0
137.05981	7.0
137.09593	15.2
141.06984	5.3
142.07767	23.3
143.08583	20.7
144.09328	7.2
145.10127	43.7
147.08044	25.6
147.11696	21.6
149.09634	19.5
149.13205	4.4
151.07524	49.5
155.08508	4.9
156.09337	9.0
157.10135	44.0
159.08076	7.8
159.11725	17.6
161.09607	16.9
161.13264	14.1
163.11195	8.7
165.09093	42.3
169.10069	5.0
171.11702	9.1
173.09607	8.3
173.11823	4.4
173.13289	7.7
175.11206	20.1
175.14806	13.7
177.09100	4.5
179.10672	4.4
183.11656	7.9
185.09721	4.0
185.13206	19.9
187.11200	4.2
187.14912	4.2
189.12714	9.5
195.11729	5.8
197.13315	4.9
199.14738	3.6
201.12706	5.7
201.16402	3.9
203.14310	32.8
207.13783	10.2
209.13249	8.3
219.13901	5.0
219.70259	4.0
221.15352	82.8
223.14752	4.1
233.15431	4.2
234.16193	7.8
269.12259	6.7
287.20114	6.7
301.20026	5.0
303.19574	10.0
365.24710	18.3
365.31970	6.0
383.20468	13.9
383.25735	65.3
383.33133	13.9
384.26190	4.5
405.24103	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	383.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.5
56.96557	4.8
62.26554	2.4
67.05491	5.4
69.03427	3.4
69.07066	4.1
69.57568	16.9
71.05019	3.1
79.05489	8.4
81.03410	4.7
81.07051	9.1
85.02898	5.4
91.05466	8.9
92.49519	2.4
93.07058	5.7
95.04966	2.9
95.08584	4.9
97.02886	4.6
105.07031	6.5
107.04979	2.5
107.08550	5.1
109.10129	3.6
111.08112	2.1
117.06945	2.0
119.04926	1.9
119.08580	5.6
121.10162	3.2
127.70417	2.2
129.53937	2.1
133.10115	6.5
145.02893	2.4
145.10165	2.6
146.06003	3.0
153.01804	3.2
161.09677	3.3
163.03917	2.2
171.11667	2.1
177.05467	2.7
177.08743	2.0
178.05794	2.1
185.04231	2.8
221.11467	34.6
259.08630	3.1
272.75153	2.2
285.10068	4.5
365.14072	2.5
367.18170	2.2
383.16693	100.0
383.20490	6.4
383.27246	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01860	5.7
55.05500	13.2
55.93507	10.4
56.96561	4.2
57.03419	8.1
59.99162	3.2
61.02906	3.7
62.35363	3.1
67.05494	31.1
69.03423	18.8
69.07044	14.3
69.98689	16.9
70.95853	6.3
71.01325	3.8
71.04987	6.5
72.93413	5.3
72.93776	27.5
79.05484	19.6
81.03406	16.1
81.07047	49.2
83.04970	5.4
85.02891	31.8
88.96898	4.5
90.94808	21.0
91.05491	19.6
93.07034	39.1
95.04939	8.1
95.08601	41.4
97.02868	9.2
99.03211	3.5
105.07011	37.7
107.08582	34.4
108.95866	8.9
109.06521	10.3
109.10141	27.1
111.08080	6.2
117.07002	5.8
119.08576	37.2
121.06562	5.5
121.10107	17.8
123.08041	8.2
123.11681	12.6
127.03940	5.7
128.96315	4.1
129.07040	4.0
131.08554	12.5
133.10127	22.4
135.08020	5.5
135.11681	8.2
137.09547	3.8
138.98364	3.8
143.08559	6.7
144.95807	3.9
144.99471	5.6
145.04984	5.6
145.10097	18.7
146.97290	7.3
147.11676	34.2
147.69821	3.3
148.98969	4.7
149.09639	4.3
149.13208	5.9
150.96834	5.4
151.11142	13.6
155.08594	3.7
156.99413	4.6
157.10123	7.3
159.11681	12.1
160.07571	24.5
161.13223	11.1
162.96843	5.7
163.14784	9.7
164.99954	3.9
165.03673	4.6
165.09067	4.1
171.00897	3.5
171.11597	4.6
172.98895	5.0
173.09596	4.1
173.13239	8.8
175.14790	21.6
179.01540	3.7
183.11800	3.4
187.14799	8.2
189.16359	4.0
201.03593	5.4
201.16385	11.2
203.17972	46.0
213.16377	4.2
215.03639	4.8
217.07014	3.2
221.15359	4.5
221.18967	7.5
227.03622	7.0
227.17737	4.5
229.05190	13.6
231.17465	7.5
241.05290	5.1
245.04703	38.6
255.06728	5.5
257.08289	4.7
257.18988	4.8
259.06195	4.7
259.92801	3.8
267.04147	2.6
267.06714	62.8
267.09402	4.4
268.06665	3.4
269.19003	5.5
285.07764	46.0
285.10559	4.2
308.09488	14.0
311.20135	4.8
329.20975	7.3
337.14484	4.2
347.13016	23.5
347.21967	10.1
365.14017	20.6
365.23071	6.4
383.07269	5.0
383.15051	10.2
383.27768	100.0
384.27826	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	383.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
54.05676	1.1
55.01844	2.2
55.05508	6.9
55.93509	10.1
56.94301	6.5
56.96558	2.5
57.03427	1.9
58.55890	1.1
61.02928	1.3
67.05496	12.9
69.03415	4.8
69.07060	6.3
70.19784	1.3
70.95847	14.6
71.59193	1.9
71.93002	2.6
72.93388	2.3
72.93775	34.0
79.05484	14.5
81.03403	5.0
81.07047	20.5
83.04962	1.6
83.08586	1.7
85.02879	5.0
88.96890	6.8
90.94813	28.2
91.05457	7.7
93.07022	8.5
95.04972	3.2
95.08595	9.8
97.02879	1.5
105.07014	8.5
106.97948	2.0
107.08570	7.1
108.95850	14.4
109.06538	2.5
109.10123	6.8
111.04362	1.3
111.08100	1.3
113.96424	3.0
116.96338	4.3
117.06974	2.5
119.08553	6.1
121.10111	3.0
123.08076	1.6
123.11719	2.0
125.96124	2.4
126.98402	4.8
127.03872	1.9
128.96298	8.5
129.07037	1.5
130.97899	5.0
131.08569	4.0
131.97421	1.7
132.95824	3.1
133.10121	3.9
134.97385	4.7
134.98863	1.6
135.08000	1.2
135.11707	1.7
136.95331	3.1
138.54222	1.1
138.98402	6.4
142.97879	3.7
143.08554	1.7
144.95799	5.0
144.99457	8.3
145.10092	3.1
146.97375	11.6
147.11668	2.6
148.98952	7.3
149.13206	1.4
150.96870	5.6
150.98412	2.3
151.02046	4.8
152.99927	1.8
154.97849	3.8
156.99501	4.9
157.10156	1.9
158.97389	3.4
159.01028	2.4
159.11697	2.4
160.98964	5.0
161.13232	1.8
162.96875	7.4
163.11153	2.0
163.14830	1.9
164.98749	1.4
165.00009	5.5
165.03658	5.6
165.96962	1.2
166.97873	3.6
167.98674	1.5
168.99455	2.4
169.99048	1.4
170.97333	1.7
171.00986	3.2
171.11661	1.7
172.98917	8.0
175.00447	2.7
175.01930	1.9
175.14774	1.4
176.98479	3.0
178.97905	4.0
179.01572	4.2
180.99458	2.7
182.97574	1.5
183.00981	2.8
184.98920	5.9
185.02618	2.0
186.01262	4.3
187.00504	5.4
187.14767	1.2
189.03586	2.6
190.99956	1.9
192.99466	5.6
195.01048	2.1
196.98993	1.9
197.02644	2.3
199.00476	5.5
199.02069	3.5
201.01950	2.8
201.03610	9.0
201.16388	2.2
202.99965	1.8
203.17946	7.4
205.01463	1.4
205.19203	1.5
207.00978	2.7
211.04039	2.3
211.14760	1.5
213.02014	3.2
215.03543	2.0
217.01482	2.3
221.02673	1.7
221.06361	1.5
221.18956	2.0
225.02061	4.6
227.03537	8.1
229.05154	18.1
237.05731	2.9
239.03331	1.5
239.07274	2.2
241.05127	3.6
241.07222	1.6
243.03143	5.8
245.04686	61.2
247.08424	1.6
252.06783	1.6
253.05075	2.5
255.06821	5.5
257.08310	9.0
259.06296	7.8
261.04242	2.8
263.05783	8.9
265.05234	4.5
267.06735	100.0
268.06393	7.6
271.06271	5.8
273.04160	3.1
275.05737	3.1
279.08182	1.5
283.06287	3.7
285.07785	70.1
286.07925	1.8
295.06525	1.8
296.06882	2.1
297.07678	1.7
308.09399	18.1
311.12805	1.7
313.03278	1.6
313.07291	2.8
314.08221	1.3
327.10120	2.1
329.11914	2.5
329.21097	2.3
341.45453	1.4
345.11346	1.9
347.12976	38.2
365.14023	31.7
383.15195	13.2
383.27698	16.8
384.15378	1.5
388.15805	3.0
406.16492	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.0
69.97551	3.1
70.06590	1.3
72.08170	0.8
72.93784	0.7
84.08133	1.7
85.02895	1.7
91.05468	0.8
93.99922	0.6
98.21382	1.4
109.02856	1.0
112.11202	1.4
119.04950	1.6
129.13890	0.7
134.46223	0.7
136.41621	0.7
147.04405	1.8
149.05960	0.8
150.96770	0.8
162.47371	0.6
163.03902	0.7
175.22646	0.6
177.05321	0.7
185.04173	1.4
207.06516	1.3
237.07249	0.7
277.03546	0.7
383.13107	100.0
384.13284	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	383.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22589	0.6
52.22879	0.5
55.05494	3.0
55.93304	0.6
55.93523	6.2
56.94298	3.7
56.96547	1.2
57.03410	1.3
65.69753	0.6
67.05224	0.6
67.05502	7.4
69.03404	1.4
69.07047	1.8
69.80136	3.8
70.95857	7.2
71.04994	0.9
71.92997	2.1
72.93782	20.4
73.14663	0.7
79.05489	9.7
81.03410	1.9
81.07055	4.3
83.04949	1.1
85.02874	1.0
88.96889	3.8
89.94000	0.7
90.94823	14.9
91.05469	3.8
93.07047	3.9
95.04944	1.1
95.08594	2.5
98.21484	0.9
102.94801	1.0
104.96375	0.9
105.07029	3.5
105.93499	0.8
106.97942	1.4
107.08575	2.9
108.95849	7.0
109.10138	2.8
113.96347	1.1
116.96350	2.8
119.08581	2.2
121.10064	0.7
123.94528	0.8
125.96099	0.8
126.98408	1.5
127.22748	0.6
128.96335	4.0
129.06982	0.7
130.97902	2.4
131.08499	1.0
131.97421	1.3
132.95827	1.3
133.10136	0.7
134.97409	3.7
134.98906	0.8
136.39479	0.7
136.95299	2.1
138.98405	4.1
141.97101	0.7
142.97891	2.5
143.08516	0.8
144.95815	2.7
144.99457	2.0
146.97386	5.6
148.98946	6.2
150.96886	1.6
150.98389	1.0
151.02032	2.2
151.97704	1.4
152.99937	1.0
154.97937	1.4
155.01436	0.9
156.99426	2.5
158.97386	2.0
160.98940	2.8
162.01262	1.3
162.96895	5.3
163.00478	0.8
164.99966	1.9
165.97102	1.0
166.97882	2.0
168.99455	1.7
170.97348	1.9
171.01047	1.8
172.98961	2.8
175.00465	1.1
176.98428	2.4
176.99982	1.8
178.97820	1.0
179.01555	6.9
180.99467	1.2
182.97391	0.9
183.98250	1.0
184.98970	2.0
187.00497	3.6
188.98517	0.8
189.00388	0.7
192.99443	4.1
195.01012	0.7
197.02623	2.3
199.00546	3.4
199.04189	1.9
201.01984	1.3
202.99951	1.1
205.01624	0.8
207.01155	0.9
211.00601	1.3
213.01990	1.4
215.03650	2.6
223.00359	1.1
225.01978	4.1
227.03522	6.8
229.07384	1.2
239.03738	1.1
241.24989	0.9
243.03096	12.0
245.04701	100.0
246.04982	1.6
247.08385	1.1
255.03189	1.5
256.03766	0.9
257.04666	1.4
259.06262	6.9
261.04199	2.9
263.05743	15.3
266.04633	1.0
268.06299	12.1
271.06219	1.2
273.04190	8.7
273.07260	1.3
274.04883	1.7
275.05688	8.2
277.06851	1.0
279.08179	1.2
281.09845	1.2
282.07700	0.9
288.02933	1.6
296.05936	0.8
298.27878	0.6
327.10074	0.9
329.11844	3.2
345.11725	1.1
347.13004	34.3
348.13312	1.6
363.12405	1.2
365.14105	22.7
383.10944	1.2
383.15149	13.5
383.28345	1.4
385.18945	0.9
388.15616	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	383.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79812	1.3
61.36404	1.0
63.67313	1.1
69.84553	2.9
69.84970	3.4
85.13554	1.2
101.28202	1.1
105.03360	1.4
125.02296	1.4
127.03937	1.4
133.02824	2.0
141.48726	0.9
145.02798	2.2
153.01788	3.5
155.03320	1.1
161.02283	4.7
162.03087	1.8
163.03897	6.9
173.02332	1.8
177.05467	1.9
183.02850	2.9
189.01804	16.2
190.02623	1.6
191.03363	23.2
193.01378	2.4
201.01886	2.1
207.02911	2.9
209.79196	1.1
214.63803	1.1
215.03352	1.4
217.01291	30.3
218.02025	7.1
219.02887	9.6
221.04408	9.5
229.01382	2.4
233.04504	2.0
234.01556	7.7
235.02338	5.4
245.00789	21.0
246.01254	1.2
247.02415	6.3
249.03914	68.8
250.04361	2.9
261.03952	2.5
263.01801	4.1
273.00290	21.5
274.00998	6.7
275.01733	5.1
277.03424	16.7
278.03757	1.2
287.01883	1.7
289.03452	2.7
291.01288	1.9
300.99713	12.2
305.02911	5.6
319.00534	1.3
333.02484	5.3
351.03415	100.0
352.03720	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	383.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57944	1.9
55.75763	1.8
69.03425	3.6
70.06576	3.4
71.58754	2.3
71.59107	2.7
81.03400	3.5
84.08129	4.3
85.02880	6.2
91.05455	2.9
109.02866	2.5
112.11224	4.4
119.04958	5.9
120.08106	2.6
121.06493	5.5
128.78503	1.9
131.04901	2.6
147.04369	8.4
153.01767	4.4
163.03851	2.8
165.06963	2.0
175.03815	5.0
179.05341	2.9
181.04942	3.5
185.04192	100.0
188.76097	2.1
189.01707	3.3
201.01845	3.5
206.04599	2.6
207.06432	5.2
221.04210	60.4
221.06340	5.5
222.04366	2.3
238.05209	2.1
242.07076	2.3
245.00819	5.5
247.02452	2.8
249.03905	3.4
255.32825	2.2
257.01019	2.8
261.04010	2.4
273.00171	5.9
277.03281	4.9
289.03128	2.4
291.01407	3.4
305.02841	2.9
323.09695	4.0
336.40704	2.5
351.38458	2.4
365.15533	2.7
383.09326	97.3
383.13202	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.17
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.62100	3.2
69.03388	4.8
69.99245	17.8
69.99641	7.1
72.04510	7.7
73.68941	4.0
75.17603	3.4
81.03408	5.7
85.06505	3.3
90.05547	64.2
90.06071	6.8
90.70924	3.6
92.08831	3.9
97.02849	4.4
98.02389	6.4
98.20836	6.9
101.01402	3.3
103.07547	5.9
105.07047	5.1
116.03432	11.8
120.08099	3.3
124.07607	6.0
139.62755	4.5
142.08614	5.7
153.01799	11.2
184.09682	12.6
185.04156	5.0
202.10786	19.4
220.11775	100.0
383.09409	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	382.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	23.4
61.02906	2.4
67.05488	5.6
67.95657	1.9
69.07043	8.0
71.08626	44.8
71.59550	3.1
73.06541	5.6
78.25398	2.3
79.05499	3.4
79.26949	1.8
81.07064	3.1
83.08588	3.9
85.10179	23.9
89.06026	100.0
93.07059	5.5
95.08573	4.3
97.06480	2.2
105.07028	4.4
107.07071	2.6
127.14901	2.2
130.08649	2.2
133.08603	47.3
151.09666	4.0
171.17380	5.0
177.11208	9.6
215.20030	7.1
239.14867	19.4
269.12451	4.0
273.39331	2.2
277.21585	2.8
295.39731	2.2
365.28925	22.7
382.24454	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	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.5
55.01871	5.1
55.05508	23.1
56.18613	3.6
56.96568	10.1
57.03436	16.4
57.07066	11.1
59.04975	5.9
61.02932	12.1
67.05497	35.4
69.03427	67.7
69.07069	18.6
70.06588	4.8
71.04991	24.2
71.60213	4.3
73.02912	6.9
75.04461	4.4
79.05485	32.5
81.03418	21.2
81.07050	69.5
83.04967	21.3
83.08630	16.7
84.08139	7.8
85.02898	62.8
85.06557	5.3
87.04486	6.9
91.05473	36.7
93.07041	74.7
95.04977	22.2
95.08597	61.6
97.02889	43.3
97.06532	6.6
99.04454	20.9
103.03947	4.1
103.05492	8.1
105.07034	100.0
107.08592	86.0
107.09277	5.3
107.54021	3.8
109.02885	11.7
109.06551	11.7
109.10152	28.8
111.08098	4.8
112.11263	8.4
115.05533	5.4
117.07011	17.6
119.04962	3.8
119.08572	72.7
119.09335	6.4
121.06541	5.1
121.10136	82.9
123.08102	10.5
123.11729	9.8
125.09683	5.0
127.03905	35.8
129.07005	10.3
130.07797	8.0
131.08563	33.4
132.09401	4.0
133.06509	6.1
133.10120	40.3
134.76936	3.9
135.04384	4.7
135.08067	5.5
135.11719	17.4
141.05479	5.6
142.07780	6.5
143.08566	19.9
144.09351	11.9
145.02896	6.2
145.04956	8.1
145.10123	93.6
146.03333	4.1
147.04459	4.3
147.08121	6.1
147.11678	39.6
149.09621	9.6
149.13263	21.3
153.01904	14.7
156.09337	4.2
157.10100	19.4
159.11678	81.3
161.09627	9.0
161.13258	62.2
163.11238	10.2
163.14873	6.5
169.10104	5.5
169.73868	3.8
171.08093	4.1
171.11778	8.4
172.12378	4.7
173.13274	17.9
175.14851	6.6
177.05533	12.3
177.16373	6.1
179.07138	4.7
183.11856	3.6
185.13315	5.1
191.17903	4.2
193.08597	10.4
195.11647	3.7
199.14803	7.0
201.16368	71.4
203.17987	20.3
211.09750	6.9
212.10049	6.2
213.16536	4.2
217.15939	5.9
219.09326	4.5
219.17421	23.6
226.98616	4.6
231.17288	3.6
381.18759	9.2
381.23102	8.5
381.27643	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	381.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
56.96289	1.4
56.96557	22.8
59.04998	0.8
67.05476	3.1
69.07049	1.1
71.04980	1.5
71.59556	1.6
71.95250	2.8
71.99609	0.7
74.79256	0.8
74.97591	1.7
79.05489	4.2
79.85932	0.9
81.07038	8.1
83.08588	1.2
84.96007	1.9
85.02876	1.1
91.05456	1.8
93.07036	2.3
95.04962	2.0
95.08569	0.8
97.96832	1.4
98.97584	2.0
105.07010	3.8
107.08567	2.4
109.06529	1.3
109.10154	1.1
110.97546	1.9
115.97839	1.3
116.98614	1.3
117.06976	1.0
119.08533	2.0
121.10138	1.2
121.26003	0.8
123.08019	1.1
128.98605	5.4
131.08522	1.8
133.10077	2.0
134.99634	1.9
143.00217	1.3
143.88338	0.9
146.99626	12.8
149.01210	1.2
149.09509	1.0
155.03824	1.3
157.10133	1.9
159.11650	1.5
161.01210	3.0
165.00699	3.3
167.02171	1.2
167.03764	0.9
169.10062	1.2
171.03365	1.0
173.04929	1.5
173.09608	2.7
173.13243	1.0
175.02698	1.0
179.02263	2.3
183.06709	1.2
183.11703	0.9
185.04820	1.2
189.04329	2.0
197.04845	1.3
199.06416	3.5
201.04369	1.2
201.08025	1.1
202.05130	1.0
203.05872	3.2
205.07497	1.8
211.02754	2.7
211.06256	1.4
213.08008	2.7
214.05121	1.5
216.06560	1.0
217.07455	7.5
219.09203	1.1
223.08401	1.2
225.04301	3.7
225.07951	3.0
227.05817	1.1
229.03937	1.7
229.07425	15.3
230.08076	1.0
231.09070	4.0
232.06155	0.9
237.08122	2.0
239.09528	2.3
243.05342	1.8
243.09013	4.0
247.08492	15.9
251.09538	3.9
252.09029	2.0
253.11182	2.5
255.08900	5.5
257.10614	3.5
265.11111	5.7
267.08878	1.1
268.09842	3.5
269.10593	6.6
270.10361	1.3
271.12164	2.1
273.10156	4.1
279.09042	2.2
281.10443	1.0
283.12128	26.2
285.10098	2.6
286.10852	3.3
287.11691	3.1
297.10089	1.5
299.11569	1.2
301.13165	9.6
306.13763	2.7
311.11597	3.0
315.16223	1.6
324.14749	1.1
327.19327	1.0
329.12784	4.7
331.15726	4.3
333.17413	3.4
349.16760	9.9
351.18201	2.1
363.18497	2.0
367.17993	1.5
381.19464	100.0
381.24780	9.5
382.19803	3.0
399.20538	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98246	3.0
71.36657	3.3
71.37011	5.1
98.21239	3.9
109.22951	2.8
152.10757	2.8
152.12257	3.1
158.96422	4.4
163.94472	3.2
190.72330	2.7
201.01625	3.2
241.37045	3.0
304.63995	3.0
381.07822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93839	1.2
55.05490	2.1
55.93517	25.2
56.94292	6.0
56.96555	13.2
67.05499	7.2
69.03433	1.3
69.07063	11.0
69.79956	3.4
69.80356	5.4
70.95853	6.7
71.93005	7.2
71.95216	1.4
72.93780	24.9
72.94185	2.1
73.94581	1.6
74.95364	1.5
74.97620	1.4
79.02408	1.3
79.05484	6.9
81.03405	3.0
81.07054	7.8
88.91478	4.2
88.96896	3.6
90.94807	18.2
91.05463	9.5
93.07024	5.4
95.04948	1.7
95.08593	4.4
97.01107	1.6
105.07023	9.9
105.93528	1.8
107.04952	1.6
107.08589	6.7
108.95850	9.2
109.06512	1.3
109.10083	1.3
110.97591	1.4
113.96411	3.6
116.96365	2.1
117.06975	1.8
119.08556	4.2
120.94043	2.9
121.06499	1.8
122.42570	1.3
122.97439	1.2
125.96090	2.8
126.98326	1.5
128.96361	3.9
128.98587	1.3
130.92520	1.7
130.97906	2.5
131.97420	1.6
133.10117	2.8
134.97394	3.6
135.11687	4.4
136.95285	2.8
138.95158	1.7
138.98445	4.1
142.97914	2.8
143.00183	1.6
144.95772	1.6
144.99504	4.2
145.10103	1.6
146.97382	5.6
146.99637	5.1
148.93538	29.8
148.98956	3.9
150.96788	1.8
151.02045	2.9
151.97638	2.4
152.99867	1.7
154.97913	3.4
155.98694	3.9
156.99489	2.4
158.97319	1.5
159.11647	2.7
160.93576	3.3
160.98997	2.2
162.95129	1.5
162.96898	3.7
164.98586	2.2
164.99983	7.0
165.03648	3.3
165.97144	4.7
166.94601	18.5
166.97945	3.3
168.99493	3.3
170.97342	2.2
171.95091	2.8
172.98940	5.6
174.95023	1.7
176.98524	1.6
178.94627	2.3
178.97945	5.5
179.98627	2.2
180.99471	3.1
182.00175	1.5
182.97287	1.5
183.01089	2.3
183.98120	10.3
184.98917	4.4
186.01230	2.2
187.00548	4.5
188.96655	2.7
189.00221	1.8
189.03664	5.3
192.99503	2.0
193.06821	2.5
196.98877	2.6
198.98822	2.5
199.00418	2.1
199.02046	2.4
199.06413	5.1
200.02843	5.4
201.03632	3.3
201.99269	3.2
202.98206	3.4
203.05872	2.4
206.00322	1.9
207.01146	2.0
209.02708	1.9
211.00467	1.8
211.06464	1.8
213.03726	2.4
214.98184	2.5
216.99785	3.2
217.07469	6.3
220.98917	1.9
229.03339	1.9
229.07454	12.2
230.03888	1.8
232.99231	1.7
235.00780	2.5
235.04276	1.7
237.05661	8.9
238.01050	1.9
239.01869	4.4
239.05888	2.0
241.07443	3.2
247.08527	12.1
249.05907	1.7
253.05240	2.8
255.06747	35.9
255.09258	2.4
256.02234	1.6
257.02921	4.9
257.08334	2.7
259.08459	4.3
265.03479	2.1
266.18872	2.1
267.04956	5.0
267.19400	2.6
269.10699	1.8
278.05780	2.8
278.08469	4.4
281.09833	1.9
282.22266	1.8
283.04504	2.0
283.22278	1.6
294.03683	3.3
295.04257	7.2
297.07822	6.3
311.04041	5.5
312.04666	20.3
313.05502	76.2
320.09427	1.8
329.05118	11.9
330.05688	17.1
331.06546	100.0
332.06827	3.0
333.17313	12.8
347.12878	8.1
349.17096	1.6
351.18427	23.9
352.06851	2.1
353.07382	4.7
354.08130	23.5
363.10733	15.5
365.13757	1.8
381.11798	69.0
381.19287	19.6
381.28232	1.8
381.30051	1.8
382.11807	1.6
399.20465	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	380.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03459	0.8
58.06578	1.2
60.04506	0.5
60.08146	1.9
60.27866	0.4
67.04241	3.0
69.03383	0.5
70.06583	0.8
71.48147	0.5
72.08136	1.2
79.01836	0.5
84.08133	4.0
85.02880	1.0
85.07653	1.0
89.03893	1.0
93.04520	1.0
95.06064	3.2
98.00636	0.6
101.00619	0.4
107.14487	0.4
110.04720	0.4
111.00813	0.6
112.11221	8.1
113.11571	1.9
117.03362	2.4
118.03668	0.6
125.01682	4.2
126.02464	3.5
127.03223	1.5
127.47349	0.5
129.00049	0.6
129.13872	5.8
130.14172	1.3
132.06825	0.6
135.04420	0.4
135.05605	0.4
139.05075	0.6
145.02814	5.9
146.03174	1.7
147.04387	0.7
152.01036	0.9
153.01820	7.2
154.97935	2.3
156.99539	3.5
160.06314	1.1
165.04767	3.8
176.01852	0.4
177.05463	6.7
178.05801	2.4
182.97487	2.3
184.99001	6.2
188.07094	0.6
191.05751	0.4
193.04308	5.4
196.99078	0.9
203.02666	0.7
221.03674	2.1
224.00156	0.8
231.02365	0.5
234.11185	1.3
234.98836	0.4
235.11583	1.2
244.04761	4.0
249.03278	0.8
250.01970	0.6
265.02832	1.4
275.01236	0.5
277.02753	100.0
278.03046	2.6
293.02197	2.2
303.00803	1.0
306.18872	1.3
311.78815	0.4
321.01605	1.4
336.10089	54.5
337.10205	1.2
379.26755	2.1
380.09091	15.5
380.27258	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	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80157	2.1
55.01865	3.2
55.05489	2.4
57.03415	2.1
61.02951	2.2
67.05180	2.5
67.05480	13.9
68.78875	2.0
69.76628	13.3
72.08132	2.4
79.05486	2.3
81.03407	2.6
81.07053	10.9
84.08141	8.9
85.02872	10.5
89.03860	2.1
90.37634	3.1
93.07031	3.4
95.04970	3.7
95.08596	8.4
97.02879	3.3
99.04436	3.2
109.10136	61.7
112.11234	22.2
113.11574	9.2
117.03357	4.3
118.03710	4.2
119.08592	3.2
121.10114	2.9
125.05975	5.4
129.13860	15.9
130.14214	5.6
137.06026	2.4
137.09601	97.8
145.02849	13.9
146.03186	8.2
153.19534	1.9
155.10649	34.7
165.09105	52.6
177.05417	17.7
178.05748	9.8
181.05006	2.2
183.10127	23.9
187.16570	2.7
201.11203	100.0
219.10312	2.6
219.12334	5.7
233.00665	2.9
234.11334	2.8
235.11615	2.7
306.18872	5.1
331.33652	1.9
380.27325	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	379.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
58.06590	10.1
63.02369	0.4
63.56054	0.4
70.06576	1.1
71.03056	0.5
72.08141	5.7
84.08131	33.4
87.13062	0.4
88.02604	0.4
89.03899	4.6
98.09680	1.6
103.26721	0.4
110.09680	0.5
112.11228	97.5
113.07124	0.7
113.11566	0.5
117.03364	16.4
124.11198	0.5
129.13861	70.6
130.14120	0.4
134.03612	1.0
135.04385	1.1
145.02824	60.5
149.05978	6.1
155.11758	1.4
157.42545	0.4
161.05910	0.4
177.05446	84.0
178.05759	0.7
183.77545	0.4
186.05539	0.6
203.22295	5.7
212.17625	0.5
214.19084	1.0
233.12794	1.0
234.11218	29.5
248.12808	0.6
276.16055	0.5
305.18539	24.9
306.18860	0.5
361.25955	1.0
362.24237	2.6
379.26981	100.0
380.27188	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50924	0.4
50.61185	0.4
58.06596	11.1
62.59046	0.4
69.66291	2.7
70.06559	1.1
72.08147	6.5
84.08136	38.3
89.03899	4.1
98.09676	1.4
98.21452	0.9
112.11235	100.0
113.07078	0.6
113.11554	1.1
117.02510	0.5
117.03371	19.7
129.13869	68.1
130.14133	0.5
134.03632	1.0
135.04398	1.2
140.40677	0.5
145.02831	64.1
146.03175	0.8
148.66809	0.4
149.05949	6.8
153.01813	0.6
155.11748	1.9
156.21152	0.4
163.03986	0.5
173.28278	0.4
177.05455	76.6
178.05862	1.0
186.05415	0.5
203.22304	5.3
214.19183	0.5
214.63391	0.4
233.12848	1.1
234.11232	25.2
235.11659	0.8
305.18570	21.9
322.21341	0.4
340.65533	0.4
361.26096	0.9
362.24313	3.0
379.27014	94.2
380.27307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98030	0.7
55.05517	3.1
57.07073	33.8
59.04977	0.8
68.92509	0.7
69.07069	3.4
69.61734	2.6
69.62160	1.7
71.08627	28.6
73.06558	5.4
75.24593	0.6
79.05495	0.7
81.07063	0.8
83.08181	0.6
83.08636	3.7
85.10179	28.6
85.98134	0.7
86.10538	0.7
87.04461	2.5
89.06026	100.0
90.06337	1.2
91.05484	0.9
93.07043	1.6
95.08616	1.5
97.10161	1.6
97.67654	0.6
98.20826	1.0
99.11736	2.1
105.48534	0.7
107.07063	4.9
107.08615	2.2
112.11226	0.9
117.09129	1.5
119.08600	0.7
121.10143	0.8
129.13927	0.8
130.08632	3.1
133.08595	39.7
135.08032	1.5
141.16383	4.0
151.09683	3.5
165.09181	0.8
177.11243	7.6
185.19038	2.4
195.12253	2.5
229.21747	1.8
237.27383	0.7
239.14819	7.1
293.16177	0.6
347.25742	4.4
379.27646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29931	0.8
55.05502	6.8
56.96561	0.6
57.03430	0.8
57.07076	4.0
67.05479	2.2
69.03413	1.7
69.07058	1.8
70.01128	4.1
71.04980	1.9
79.05469	1.5
81.07040	3.5
83.04974	3.4
84.08125	1.1
85.02876	3.0
85.06535	2.5
91.05504	0.8
93.07048	5.7
95.08590	5.4
97.02898	1.1
97.06535	1.9
100.11235	1.2
100.53844	0.7
105.07012	2.8
107.08593	8.1
109.06535	1.9
109.10139	2.2
111.04434	49.3
111.08052	1.6
112.11243	2.9
119.08527	1.1
121.06522	1.2
121.10122	1.9
122.21388	0.7
125.05993	13.0
127.07567	2.2
129.13884	1.5
133.75555	0.7
135.08055	5.9
135.11696	11.1
137.13274	1.4
139.07516	2.0
145.02783	1.6
145.10115	9.9
153.01842	2.1
153.12735	3.7
163.11163	12.8
176.90643	0.7
177.05466	2.5
181.12222	100.0
182.12639	1.2
186.21208	0.8
199.13286	37.2
210.14935	0.8
251.01268	0.8
257.75980	0.8
379.27026	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.6
56.96564	2.3
57.07053	3.6
67.05492	2.4
69.07063	3.4
70.13500	2.5
70.13865	5.7
79.05479	2.9
81.07046	4.3
82.14141	1.2
83.04974	4.8
84.08139	3.4
85.02895	3.9
85.06528	3.9
91.05429	1.9
93.07046	6.5
95.04955	1.5
95.08598	9.1
98.21463	2.7
105.07011	3.4
107.08595	8.5
109.02884	1.5
109.06473	1.8
109.10109	3.3
111.04425	50.4
111.08081	2.2
112.11227	3.9
119.08566	2.7
121.06493	2.1
121.10091	2.0
123.07960	1.6
125.05971	13.3
127.07497	1.5
129.13864	3.2
130.07770	1.4
133.10141	1.6
135.08026	5.4
135.11674	10.7
139.07584	1.5
145.10098	9.1
147.11629	1.9
149.09528	1.9
153.01765	3.3
153.12718	3.9
163.11177	15.5
177.05435	4.0
181.12212	100.0
182.12628	1.8
199.13272	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44498	8.4
55.05477	9.4
57.03414	8.0
62.90336	9.4
67.05492	18.4
69.53041	8.4
71.59095	8.8
71.59534	15.3
74.97145	8.3
79.05485	11.4
81.07050	19.3
83.53285	8.9
84.08134	16.3
85.22881	8.0
91.05445	18.8
93.07025	22.6
105.06998	25.3
107.08548	16.1
107.43353	8.1
109.10125	39.9
112.11225	15.7
119.08543	23.8
121.10149	61.4
129.13878	12.3
133.10095	9.8
137.09560	20.2
145.02754	12.1
145.10356	7.9
149.09608	53.2
149.49208	9.4
166.69150	10.4
177.05408	9.4
210.91138	9.2
287.19913	24.0
315.19507	100.0
333.20398	27.5
353.31519	10.0
379.27158	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	377.1591
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03941	3.4
53.57868	1.2
55.01859	6.7
56.96550	2.3
59.04977	2.4
65.03932	3.7
67.05491	3.9
69.03426	2.3
69.07053	2.4
69.57380	8.3
71.01342	6.6
71.04957	1.5
72.77512	1.4
78.04702	1.3
78.55238	1.3
79.05478	15.8
81.03389	2.6
81.07040	5.7
84.08134	2.1
85.02875	1.4
87.31468	1.3
89.06037	1.8
91.05476	14.1
93.07018	5.1
95.04963	10.9
95.08581	1.4
97.06522	1.2
100.63010	1.1
103.05454	26.1
105.07021	10.1
106.07470	1.5
107.04943	77.3
107.08557	3.9
108.02105	3.1
109.02875	3.5
109.06504	2.7
111.04419	4.4
112.11195	1.4
115.05442	9.1
117.06981	3.2
118.04134	3.0
119.04919	3.3
119.08569	2.2
120.05730	2.9
121.06496	12.7
121.10127	2.3
122.03628	1.9
122.05986	3.4
123.04420	5.0
125.04498	1.3
125.06005	9.0
131.04884	8.2
131.08580	2.2
132.05737	1.3
133.02829	5.2
133.06477	5.2
133.10126	1.4
135.04398	13.0
135.08051	18.2
137.05959	30.5
138.06732	5.7
141.05455	3.9
145.07542	2.1
145.10127	2.0
146.03586	2.6
147.04384	9.6
149.05960	15.1
150.06726	5.4
151.03886	100.0
151.04967	6.4
151.07495	3.2
152.04234	2.8
153.01811	11.8
153.05466	12.6
161.05957	18.2
161.09634	5.2
163.03877	6.8
163.07521	98.6
164.07907	2.7
165.05492	5.4
165.09114	1.7
166.00581	1.4
166.06212	2.5
167.06985	7.4
174.06656	2.6
175.07559	3.5
177.05435	6.9
178.06226	24.0
179.07021	6.4
181.08574	47.8
182.09259	5.2
189.05437	2.4
189.09077	11.7
195.06496	12.4
196.07285	17.2
207.10210	9.5
217.08658	1.6
247.14680	2.5
283.09570	3.2
311.12646	3.6
327.12109	3.4
329.13846	6.0
341.13763	2.1
359.14795	3.6
377.15616	3.2
377.25659	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	378.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91243	2.7
69.03415	9.2
69.07061	11.3
79.05486	5.6
81.07040	19.2
84.08154	5.7
85.02888	11.6
91.05456	5.4
93.07012	15.1
94.07349	3.4
95.05035	2.6
97.06529	3.0
105.07029	11.3
107.08575	51.9
109.06509	14.3
109.10160	3.4
112.11237	13.1
116.98589	3.3
117.03408	3.5
119.08527	3.0
121.10117	15.2
123.08036	4.0
127.03897	4.6
129.13885	7.5
135.11662	31.4
137.05997	4.7
139.11122	13.3
145.02820	7.7
145.04834	3.9
145.10126	7.3
147.11470	3.4
153.01814	7.0
155.29523	2.4
163.11157	48.7
168.63121	2.6
177.05484	10.4
181.12210	100.0
199.13257	71.0
199.14960	5.2
291.68344	2.8
333.05762	4.3
379.26886	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	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62374	0.8
53.03935	1.2
55.01859	1.8
56.96553	0.9
57.03404	0.8
61.02910	2.8
69.03426	4.3
69.29497	2.3
69.29917	5.6
70.06577	1.3
71.04965	1.5
72.08123	1.2
73.02885	1.4
81.03410	3.1
81.07027	0.9
84.04492	2.0
84.08124	3.9
85.02898	22.3
86.09690	2.2
91.03934	1.3
91.05486	1.4
97.02895	7.8
99.04451	1.3
109.02844	2.3
112.11227	2.3
119.04929	2.2
123.07294	0.6
127.03916	3.7
129.10204	0.7
129.13872	1.0
137.05965	100.0
138.06300	1.4
145.02831	3.2
145.04953	4.9
147.04417	3.6
151.07463	1.7
177.00652	0.8
177.05457	4.0
179.07028	31.9
180.08647	1.8
197.08063	4.3
247.10973	1.0
377.17786	1.2
397.17691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74846	1.0
56.96549	3.4
61.02912	3.0
69.03408	1.6
70.77617	3.8
70.98100	1.7
76.75198	1.4
85.02870	3.9
86.09698	1.3
91.05461	3.3
92.01302	1.2
93.07037	4.8
95.04897	1.5
97.02897	1.8
98.97550	3.6
101.02372	1.1
103.05448	4.0
116.98605	2.4
119.01964	1.7
119.49529	1.1
121.06487	100.0
122.06795	1.9
126.05471	1.1
133.01723	1.3
138.09119	24.6
141.01141	1.4
146.99626	1.6
148.01918	1.5
148.03856	3.7
153.01796	2.0
157.02577	2.4
157.04379	2.2
161.02971	1.5
189.02515	2.0
190.98523	1.2
202.01329	1.2
206.02621	3.3
206.07010	1.4
226.02321	1.7
237.02896	1.5
242.03532	2.3
263.00684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38598	2.4
55.01856	5.1
56.96555	2.8
68.99776	3.9
69.03374	3.1
70.57500	8.4
72.08132	2.7
84.04488	2.5
85.02872	4.0
89.57283	2.4
98.97523	2.8
101.02380	3.7
103.05399	2.5
104.80027	2.5
111.00780	9.4
116.98598	3.3
118.06538	3.4
129.01799	4.8
130.06534	16.5
131.96156	3.9
133.05214	5.2
134.05994	12.5
139.00192	11.7
146.05960	17.3
148.96407	2.6
149.97302	2.1
151.06248	5.3
152.07018	6.7
153.01817	5.8
156.08031	4.7
157.01309	3.6
158.05989	32.0
160.07518	3.1
161.03009	3.7
162.05499	22.9
163.06247	23.5
168.08057	5.7
170.05983	4.4
173.97174	15.2
174.05476	18.0
175.06281	38.5
176.07053	57.5
180.08141	3.9
184.07498	6.4
191.08150	9.1
192.08914	24.4
196.07545	16.4
198.05334	2.7
200.06975	3.7
202.04979	7.4
208.07561	9.0
210.05461	3.5
212.07010	5.6
214.08641	5.2
222.05486	3.2
224.07047	20.2
226.08745	4.2
228.06544	6.3
230.08150	3.9
238.04836	2.9
239.08093	4.4
240.06589	8.4
242.08147	5.9
252.06628	13.6
254.08069	5.3
256.05991	3.4
268.05978	6.8
270.07535	3.9
272.01236	2.5
272.09116	8.0
280.05988	9.1
284.05493	2.6
296.05399	4.4
297.08658	3.2
298.07159	12.0
302.06491	3.9
314.06528	3.3
316.08157	8.3
318.05020	3.5
319.04742	2.8
324.04962	5.4
330.06134	3.3
341.07477	8.8
342.06024	8.2
348.07141	33.9
359.08774	3.9
360.07141	32.6
361.07770	3.9
377.09738	100.0
377.14578	5.3
378.10202	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	374.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23351	1.5
55.05505	1.8
56.96578	2.1
58.99856	2.0
66.58483	1.7
69.07079	1.8
71.59423	2.6
77.00908	7.4
79.05487	2.2
81.07089	2.3
82.41011	1.5
85.50468	1.6
91.05463	2.3
95.01942	5.6
103.02368	1.9
105.03986	1.6
105.07021	2.5
107.08601	2.5
116.48788	1.7
131.01860	2.4
131.08586	2.2
133.10062	1.7
148.11263	1.6
185.06590	2.5
187.08177	3.8
199.08008	2.7
201.09633	2.0
205.09169	2.0
209.09950	1.6
213.09727	4.7
215.11339	1.9
225.09863	2.0
227.11322	2.3
229.12947	2.0
239.11311	2.7
241.12842	4.7
245.12511	1.9
257.12344	2.1
261.09711	1.9
265.12878	2.9
267.10959	2.6
277.12857	2.1
283.13953	2.2
289.16702	1.7
295.10269	2.1
295.13876	6.4
313.15985	2.0
315.18021	25.6
323.17072	2.9
333.19055	68.3
334.19266	3.7
351.20148	100.0
352.20471	6.1
356.20700	6.9
369.17435	5.0
374.21841	13.1
399.32123	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73893	0.8
66.55439	0.8
67.05502	0.9
69.80769	3.2
69.81172	1.9
78.04693	0.8
79.05477	2.5
81.78154	0.8
91.05463	3.0
95.04973	1.4
98.14914	1.0
103.05489	1.2
105.07012	10.6
107.04933	1.3
115.05460	3.0
117.06996	3.6
119.04954	1.7
119.08537	1.0
121.06522	2.2
123.04441	1.1
123.08067	1.8
131.04916	1.6
131.08511	0.9
133.06494	11.8
133.10170	1.6
135.08052	1.5
137.05946	4.0
145.02849	0.9
146.32413	0.8
151.07547	9.0
161.05978	8.6
161.87061	0.8
162.06705	4.5
163.03915	0.9
163.07469	1.4
167.07024	14.8
171.08043	1.0
175.07512	2.5
175.87845	0.9
177.09091	100.0
178.06007	1.1
178.09460	3.2
193.06804	2.0
193.08588	39.1
195.10109	7.0
203.10616	1.5
221.11729	7.9
289.03387	1.0
303.35400	1.0
317.02872	1.2
375.07028	1.7
375.19537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1987
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
53.03942	0.3
57.82274	0.3
60.50985	0.3
67.05493	0.4
69.03411	0.4
69.07044	0.4
72.08127	0.2
79.05473	0.4
81.03411	0.4
81.07053	0.5
84.08134	0.3
85.02870	0.5
85.06524	0.5
93.07007	0.4
95.04965	0.3
95.08575	0.4
97.02805	0.2
97.06543	0.3
105.07030	0.4
107.08569	0.3
109.02844	0.3
109.10147	0.5
112.11224	0.4
119.08527	0.5
121.10149	0.3
121.32324	0.2
133.10129	0.3
137.05989	0.6
147.04376	0.4
151.03877	0.3
153.01794	0.3
153.05490	0.4
163.07552	0.4
167.06993	0.6
175.07579	0.6
177.00720	0.3
177.05382	0.5
177.09062	0.7
193.08583	0.5
213.14610	2.8
222.94174	0.3
225.66475	0.3
303.05008	0.7
313.60724	0.3
327.12750	0.3
348.19751	0.3
375.19839	100.0
376.20154	3.0
392.98883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
58.99866	1.1
67.05493	5.7
69.07053	1.7
70.72543	3.5
71.04997	1.5
77.00894	4.0
79.05470	2.2
81.07030	3.0
91.05462	1.6
91.44606	1.1
93.07065	2.1
95.01923	3.9
95.08584	2.2
105.06975	1.1
107.08546	1.5
109.10106	1.1
111.46626	1.1
131.01862	5.0
131.08565	1.5
133.03407	1.4
133.10097	1.1
133.14445	1.0
139.10851	1.1
155.05542	1.4
159.05061	2.7
159.71619	1.3
169.03482	3.2
173.06572	2.8
182.04268	3.1
185.06593	2.5
186.07402	2.0
187.08182	1.5
188.05241	1.4
192.04697	1.3
195.05038	2.9
195.08511	1.3
201.09708	8.2
205.09122	1.9
209.06633	1.8
213.06024	1.2
213.09639	6.4
215.11307	3.3
219.10706	7.8
223.08043	6.8
224.09019	9.0
225.09663	3.6
227.11234	1.4
229.09265	1.6
231.10747	21.3
239.11200	2.2
241.09207	26.3
241.12918	2.6
242.09956	15.1
243.10852	6.7
251.11194	2.1
253.12685	1.1
254.12277	2.5
257.12271	4.6
259.10269	5.7
260.11108	8.7
261.11679	1.6
264.10684	3.3
267.10715	2.8
269.12527	5.4
281.12332	1.3
287.11755	1.6
291.17889	2.0
295.13434	1.3
301.13162	1.3
315.18054	10.7
333.19025	29.7
334.19254	1.9
351.20114	100.0
352.20334	7.3
356.20496	2.5
369.21231	2.4
374.21674	17.8
375.21896	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	374.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81833	1.0
56.96288	1.4
56.96561	26.5
60.25219	0.9
68.66225	0.9
70.07137	3.8
71.95256	4.8
74.97588	1.5
84.96028	1.5
92.98629	1.2
93.07037	1.1
97.96788	1.9
107.89730	0.9
110.97598	4.0
115.97846	2.0
116.98608	0.9
119.44569	0.8
128.98599	13.8
129.09106	3.0
129.69873	1.0
133.98882	2.6
137.02678	0.9
146.99644	17.0
161.01219	3.8
161.04845	1.3
165.00719	3.8
170.01215	1.3
171.03262	1.1
179.02261	1.5
189.04330	3.9
201.04256	1.2
203.05847	1.8
241.11086	1.3
245.08527	1.5
252.10446	1.7
259.12296	1.5
259.54199	1.0
263.09454	4.7
270.11508	1.1
275.09470	1.0
281.10608	1.5
303.12662	2.1
315.16248	38.3
316.16769	1.3
321.13919	1.2
327.23886	1.0
331.15906	2.1
333.17328	100.0
334.17618	5.7
351.18408	42.4
352.18762	3.2
356.18973	12.9
374.19992	4.3
374.26395	1.1
391.10318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10362	1.9
59.53775	1.6
69.03418	2.8
70.06574	2.0
71.58344	2.6
72.08147	4.5
81.03397	2.7
81.07059	2.3
84.08133	5.8
85.02892	5.7
86.09692	7.5
86.36382	1.7
87.04423	1.7
89.03913	8.4
91.05457	5.6
93.07027	2.8
95.04958	3.1
97.02888	1.8
107.04964	2.3
107.08595	2.3
108.64223	2.0
112.11253	11.4
117.03365	15.5
119.01670	4.3
119.04926	6.4
121.06392	2.3
122.02722	4.0
124.07564	13.2
125.06051	2.0
129.13899	2.5
135.04402	4.1
135.08063	4.5
138.09108	5.3
145.02831	47.8
147.04419	4.3
148.04829	2.0
149.05968	6.4
162.96297	2.1
163.03854	3.2
164.07027	6.1
175.03935	6.6
177.05453	100.0
178.05821	3.7
194.11716	2.2
195.06525	36.2
207.06520	8.7
208.06403	3.9
212.12802	19.0
217.36249	1.8
262.89645	2.5
313.28302	2.2
330.16379	2.6
357.32257	1.9
358.43332	2.1
374.18762	5.6
375.12256	1.9
381.09851	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.1
53.40281	2.8
55.01864	5.1
55.08547	2.6
55.19222	2.8
56.96559	20.1
61.02907	11.8
69.03419	5.1
69.95515	16.2
70.06574	9.4
70.98108	7.0
71.01347	2.7
81.03403	3.9
84.08115	8.8
85.02889	12.2
86.09702	3.3
88.99142	4.1
90.94852	3.2
91.02470	3.0
91.05468	4.3
93.07009	9.9
94.22546	2.6
95.04975	5.1
97.02860	8.3
98.06046	2.8
103.05455	7.1
109.02834	5.4
109.03519	5.7
111.00209	7.3
112.07577	3.9
116.98602	3.5
117.01841	41.2
118.00989	6.1
119.01903	12.7
120.00745	5.2
121.06493	100.0
125.02318	3.6
126.00726	8.7
127.01508	23.6
127.03877	5.8
129.10257	4.9
131.01826	3.4
133.01537	11.7
136.01985	8.3
138.09131	25.5
142.02051	6.9
143.75720	2.9
144.99657	5.5
146.99600	6.9
147.01320	5.2
147.11108	3.0
148.07565	9.0
149.02956	16.1
153.01854	21.2
154.00192	35.6
154.50372	5.1
156.01788	4.6
156.99612	5.0
160.00165	7.2
161.00980	7.6
163.00735	8.7
163.04456	4.3
165.00650	4.9
166.00238	5.8
167.01028	12.5
167.03984	7.2
167.99840	4.3
168.06528	3.5
169.00807	5.3
170.92009	3.6
171.03011	3.0
172.97591	9.6
173.01038	3.4
174.00752	3.0
175.00771	21.3
176.01550	19.0
176.07086	6.4
184.01288	11.5
186.03102	3.0
189.02434	5.3
190.01222	3.5
190.98608	20.7
193.01993	7.0
194.04472	49.9
194.08168	9.2
196.01270	44.1
196.51472	5.6
197.02066	6.5
200.93253	3.7
204.08562	6.3
205.00343	3.5
205.01822	62.8
205.52095	4.7
208.99675	6.8
212.01118	3.3
212.05556	16.9
212.09238	3.4
214.02306	7.3
216.58911	3.1
217.01828	4.3
219.01582	3.3
219.03497	4.8
226.02309	16.1
232.99687	6.2
235.02875	13.5
238.02310	8.2
245.01416	7.8
247.02921	10.5
248.03618	4.2
256.03372	5.7
272.03238	5.8
273.00769	6.0
287.02393	4.6
305.03455	8.9
309.82443	3.3
315.01935	4.0
333.03195	4.3
356.09558	6.0
374.10590	7.9
374.14569	9.0
375.13000	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	374.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41662	1.3
56.96552	1.6
69.03419	2.2
70.06573	3.4
71.57781	1.3
71.58199	1.5
77.91327	1.1
79.94227	1.0
81.03429	1.9
84.08144	6.5
84.95953	1.0
85.02889	3.4
86.09698	1.3
97.02885	3.6
98.97592	1.3
105.36652	1.2
109.02862	2.1
112.07607	2.3
113.07945	1.3
116.98592	2.1
119.07785	1.1
120.53117	1.1
120.69843	0.9
122.05986	1.4
129.10228	2.0
147.04407	1.3
150.05443	1.1
150.08879	2.5
153.01804	6.1
166.08397	55.8
184.60512	1.0
194.04483	6.5
194.08005	1.5
202.09319	2.1
203.05331	1.5
203.88873	1.3
205.03146	1.2
207.23430	1.1
212.05609	2.8
212.08925	84.6
213.04048	1.3
213.09233	1.4
238.46725	1.1
262.89575	1.5
275.78613	1.1
286.89642	1.1
304.90002	1.2
359.20184	1.5
374.14209	100.0
375.05548	1.2
375.14413	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
57.03423	0.7
61.02905	1.4
62.61685	0.4
63.02359	0.5
63.35043	0.4
69.03420	3.0
73.02907	1.1
79.05437	0.4
81.03391	1.9
84.08125	1.8
85.02898	14.4
87.04476	0.6
89.03903	4.4
91.03931	0.6
91.05455	1.4
97.02888	3.9
98.21503	1.4
99.04420	0.4
109.02856	1.5
110.07130	0.6
112.11252	2.0
117.02605	0.8
117.03372	12.1
119.04919	1.5
121.06489	0.5
127.03896	1.9
129.13855	1.0
129.27563	0.5
134.03595	1.0
135.04388	2.1
145.02832	39.7
145.04927	3.3
146.03194	0.8
147.04388	2.0
149.05957	6.6
153.01961	0.5
162.03120	1.1
163.03943	3.0
167.07045	0.5
175.03914	2.3
177.05450	100.0
178.05806	2.5
180.08681	1.3
186.05481	0.6
195.06509	43.3
196.06839	1.1
207.06482	3.3
229.35767	0.5
313.78110	0.5
319.95990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.0
57.07068	8.9
67.05497	30.7
67.24281	2.3
69.03421	4.4
69.07063	37.7
69.35430	22.4
71.04990	4.4
71.08603	3.2
79.05478	18.9
81.06571	5.2
81.07050	100.0
83.04971	8.7
83.08598	21.7
85.02900	6.8
85.06541	16.8
91.05478	12.0
93.07030	52.5
95.04964	6.1
95.08598	63.0
97.06523	8.4
97.10186	4.9
99.04463	12.9
99.08080	3.8
105.07027	30.5
107.08582	44.9
109.06509	11.6
109.10143	31.3
111.04431	22.6
111.08083	7.3
111.11725	5.5
117.07010	3.5
119.08578	20.4
121.06481	4.9
121.10126	29.2
123.08054	10.6
123.11713	25.1
125.06019	2.9
127.07552	9.9
129.06924	2.5
131.08582	7.8
133.10120	18.8
135.11676	30.5
137.13269	9.6
139.07545	2.3
143.08543	2.8
145.10098	9.8
147.11679	32.6
149.09602	3.0
149.13248	20.7
151.11143	33.9
151.14804	2.7
153.12697	5.4
157.10118	5.3
159.11681	9.4
161.13269	6.1
163.11153	5.8
163.14784	3.8
164.20197	2.0
164.76341	2.5
165.12709	17.1
167.14328	3.5
171.11635	3.1
173.13277	5.4
175.11168	5.5
175.14867	5.4
177.12747	7.5
179.10715	6.8
179.17989	3.7
181.12289	6.8
183.13901	2.3
189.12770	2.4
191.14297	2.7
191.17886	2.4
193.12253	13.4
195.13741	10.5
201.16328	3.0
203.17906	5.2
205.19534	4.9
207.13808	5.5
209.15369	3.8
213.16464	2.6
221.19020	2.9
255.30115	2.1
259.24289	2.1
263.20023	5.5
283.24176	6.0
285.10083	4.2
301.25253	9.9
319.26312	44.5
337.27332	30.2
355.08142	5.9
355.28220	2.4
373.19913	6.6
373.23776	65.7
374.23987	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	373.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	24.2
56.96567	16.9
57.03442	9.6
57.07052	8.8
67.05511	35.8
69.03452	5.9
69.07059	44.1
71.04974	14.3
71.08604	6.4
71.35233	6.0
71.59903	6.8
74.74279	5.5
79.05498	20.8
81.03407	11.0
81.07054	100.0
83.04958	10.3
83.08620	22.0
85.02914	12.0
85.06534	12.9
87.48116	5.5
91.05488	26.6
93.07032	55.7
95.04983	13.9
95.08618	64.5
97.02891	14.0
97.06515	12.6
99.04448	12.1
105.07027	33.6
107.08612	48.9
109.06526	11.8
109.10159	32.8
111.08103	8.3
119.08565	18.5
121.10149	34.4
123.08170	5.7
123.11734	26.5
127.07563	6.3
133.10115	21.9
135.07951	5.8
135.11678	21.1
137.13228	10.4
145.10100	11.3
147.11679	33.2
149.13266	20.1
151.11124	32.8
157.10133	10.3
159.11768	8.6
161.13335	7.3
165.12779	10.8
174.05273	7.5
177.12779	11.8
181.12131	6.2
183.62010	6.0
193.12225	16.6
195.13731	9.1
207.13812	9.1
217.01192	7.3
245.00923	7.9
263.01810	9.1
266.95782	9.6
273.07706	8.1
283.06085	8.9
283.08853	9.4
285.10141	15.3
295.06006	15.0
301.25372	9.5
313.07047	29.7
319.26306	34.2
323.05536	9.9
335.70279	5.9
337.27335	35.0
339.09824	6.2
341.06683	14.7
349.10745	6.5
350.94601	13.3
373.09247	9.1
373.19571	19.5
391.19681	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	373.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.1
56.12485	8.4
56.96570	17.8
57.07084	9.7
67.05513	42.8
69.07064	19.6
69.60788	60.3
79.05492	32.2
79.41813	8.0
79.65371	8.4
80.93642	8.6
81.07050	46.8
87.04456	60.3
91.05474	61.7
93.07042	52.7
95.04974	46.1
95.08617	34.9
97.06535	14.9
103.05458	13.3
105.07012	77.8
107.04952	9.8
107.08606	26.4
109.06532	30.5
109.10131	20.3
111.08086	10.6
117.06997	11.3
118.46758	8.8
119.08578	69.1
121.06493	13.7
121.10141	34.0
124.64687	9.1
128.06232	15.0
129.06992	25.0
131.08569	30.7
133.10112	46.6
142.07780	20.0
143.08569	44.0
144.09300	9.6
145.10141	34.4
147.11670	19.9
155.08519	15.2
156.09373	19.4
157.10094	45.2
159.07898	8.0
159.11681	23.9
160.12308	8.3
165.07039	9.3
167.08539	12.5
169.10138	18.4
171.11717	23.7
173.13275	14.3
179.08502	19.9
181.10129	28.3
182.10942	15.6
183.11665	23.9
185.13229	9.7
192.09366	16.2
193.10100	19.2
194.10938	14.8
195.11678	23.7
197.13274	19.7
201.83301	9.2
205.10052	12.5
206.10890	14.7
207.11639	26.4
208.12407	11.2
209.13322	25.0
211.14830	12.2
212.27988	8.8
218.10814	12.2
219.11664	14.4
221.13266	29.1
223.14742	11.4
224.20528	9.3
231.11771	10.9
233.13254	16.4
234.13968	11.6
235.14777	17.5
237.16342	18.2
245.13297	12.5
246.14075	13.3
247.14688	14.8
248.15504	9.6
249.16370	19.0
251.18051	11.8
259.14832	13.0
263.18036	20.0
264.18613	14.2
265.19495	9.7
275.17981	10.9
289.19516	17.7
315.16202	18.4
332.13934	32.3
333.17532	52.1
351.18466	18.0
373.25275	100.0
373.31378	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.53826	4.8
55.05501	9.0
56.13141	5.4
61.53270	5.3
67.05505	9.5
69.07073	7.9
70.75642	7.2
70.75977	15.6
79.05497	6.4
81.07033	14.8
83.04971	8.7
85.02892	6.7
93.07050	8.9
95.08618	29.3
105.06998	7.3
107.08585	19.1
109.06515	8.9
109.10145	100.0
111.08035	5.2
111.10146	5.7
119.08577	28.6
119.10236	5.8
121.10117	12.7
123.08028	12.6
123.11721	9.0
133.10109	22.4
135.11687	87.8
137.09619	16.2
167.06950	7.3
175.07492	8.3
175.14786	44.6
191.06943	8.9
193.08482	14.5
193.15840	53.2
211.16913	53.7
256.87820	6.1
329.13928	7.0
341.13834	16.7
342.13947	5.7
373.16742	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	373.2373
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
53.03929	2.6
55.01861	2.4
55.05509	7.1
62.02198	1.1
65.03919	3.3
66.69231	1.2
67.05167	1.5
67.05505	22.0
69.03426	2.1
69.07066	6.9
69.23341	1.1
71.11929	1.7
71.12257	2.3
79.05491	30.4
81.03410	2.3
81.07054	42.6
83.04979	2.1
83.08604	4.7
85.02888	2.0
85.06533	2.8
88.82628	1.1
91.05475	30.1
91.06004	2.6
93.07043	44.0
95.04990	8.7
95.08601	30.8
97.06513	4.9
105.07024	47.4
107.04939	5.1
107.08591	41.6
109.06516	11.2
109.10152	10.6
110.41789	1.3
111.04443	6.3
111.08063	4.3
115.05443	2.5
117.07012	13.7
119.08580	37.6
121.06509	4.0
121.09302	2.0
121.10143	30.4
123.08084	2.3
123.11708	2.2
125.05991	63.1
125.09618	3.3
128.06207	3.7
129.06978	9.9
130.07756	2.4
131.08556	28.3
133.10118	26.0
135.04408	1.8
135.08086	3.9
135.11682	12.9
137.05975	4.4
137.09624	1.5
139.03886	8.6
139.07521	1.8
141.07001	4.4
142.07784	3.8
143.08566	18.9
144.09302	2.5
145.10132	33.6
147.08051	3.9
147.11681	26.0
147.12784	2.0
149.05983	1.5
149.09602	1.6
149.13240	6.3
153.05469	52.0
153.09137	1.6
154.07701	1.5
155.07024	27.0
155.08531	9.7
156.09393	2.1
157.10120	16.7
159.08049	3.5
159.11691	40.4
161.09619	3.4
161.13251	19.4
163.07544	4.5
163.11179	1.5
165.06995	2.4
165.09167	1.7
166.07733	1.4
167.07173	1.5
167.08566	5.3
168.09357	1.9
169.10120	12.0
171.11691	12.6
173.09564	2.3
173.13255	10.4
175.07544	3.2
175.11180	3.0
175.14810	19.6
177.09099	5.9
177.12790	1.4
179.07100	2.8
179.08592	2.6
181.08572	3.5
181.10141	7.9
182.10880	1.6
183.11708	13.0
184.12376	1.2
185.09758	2.2
185.13261	16.8
187.14796	7.8
189.09093	4.8
189.12706	2.2
189.16374	9.4
191.10667	3.8
193.08580	2.6
193.10092	2.7
195.11678	10.9
197.09578	1.4
197.13271	8.4
199.11182	2.6
199.14809	11.8
201.09140	2.1
201.12730	3.8
201.16385	28.9
203.10686	3.1
203.14519	1.4
203.18027	4.8
205.10321	1.3
207.10095	1.6
207.11760	3.8
209.09663	1.5
209.13243	6.7
211.11400	2.2
211.14822	7.3
213.12813	2.5
213.16380	5.5
215.10779	2.1
215.17931	9.1
217.12320	6.2
219.11748	1.5
219.17625	1.3
220.07431	1.9
221.13263	5.5
223.11162	1.4
223.14870	6.1
225.12660	1.8
225.16434	3.4
227.10719	3.8
227.14325	2.7
227.17924	1.5
229.12228	8.6
235.14995	7.3
237.12769	3.0
237.16447	3.8
239.17989	1.9
241.12244	6.3
243.13831	4.2
247.13245	2.7
249.16365	3.8
251.17955	4.0
253.15826	1.9
253.19484	5.2
255.13792	6.3
257.15405	2.7
259.13306	2.0
261.14825	3.1
263.14450	2.4
263.17957	3.4
265.19382	1.3
267.20688	1.2
273.14856	3.4
277.19531	11.2
281.15344	6.5
281.22626	2.4
285.10257	1.3
291.17828	1.9
291.21027	14.3
293.22684	2.3
295.17056	2.2
295.20657	3.7
301.19492	3.2
309.18750	2.0
309.22052	12.3
319.20605	14.1
327.23221	3.4
337.21606	79.9
338.22037	1.7
340.82321	1.3
355.22656	100.0
356.23141	2.4
373.16458	1.7
373.23770	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	373.1487
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
52.89008	1.2
53.03930	1.8
57.03407	1.3
58.27789	1.1
67.05482	1.8
69.03409	2.3
71.58270	1.7
71.58640	1.7
73.71846	1.3
78.04655	1.4
79.05475	7.1
81.03399	4.5
81.07051	2.0
86.09673	4.0
91.05451	7.2
93.07023	2.8
95.04930	3.6
95.08584	1.5
102.03048	1.2
103.05443	16.9
105.07025	8.4
107.04938	86.3
112.11185	1.3
112.12552	1.2
115.05425	5.8
117.07016	1.8
119.08537	1.7
120.05715	5.5
121.06521	1.8
123.04380	3.7
124.05161	2.9
131.04898	13.2
133.06487	3.9
135.08025	27.1
137.05943	17.3
145.02847	1.6
145.07614	3.6
146.06004	1.5
147.04414	1.8
149.05971	2.2
152.04630	1.4
154.06195	1.6
161.05945	4.0
163.07515	100.0
164.07884	2.0
167.07010	55.0
177.05473	2.5
180.07755	2.0
181.08586	3.4
193.08627	3.4
195.10132	45.6
209.92467	1.4
211.09579	1.8
213.11192	3.8
213.74654	1.3
220.16968	1.3
229.45125	1.4
263.07089	1.6
265.08624	1.3
295.09918	1.4
309.11121	1.6
323.12631	1.9
327.12192	1.8
337.17630	1.5
341.13763	5.2
373.18109	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	373.1642
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
52.37971	0.9
53.03936	1.2
64.30267	0.9
71.04494	2.2
71.04840	1.4
78.04707	2.9
79.05480	6.2
89.03912	1.4
91.05482	9.2
93.07027	2.2
95.04955	3.1
103.05469	12.8
105.03368	1.4
105.07032	12.3
107.04943	9.7
108.05734	2.5
109.06503	2.8
109.78368	1.2
115.05461	2.3
117.03355	2.4
117.07011	1.3
118.04147	4.4
119.04916	2.5
120.05666	1.7
121.06510	4.7
122.03571	1.3
123.04408	1.4
123.08064	4.0
124.05173	1.3
130.04112	2.2
131.04915	12.5
133.06488	14.3
135.04448	1.5
135.08069	4.7
136.05168	8.9
137.05966	16.0
144.05763	1.2
145.06468	1.5
146.03629	3.1
147.04378	3.0
149.05975	23.8
150.06784	6.9
151.07538	8.9
152.08313	34.0
161.06020	8.5
162.06726	3.7
163.06274	1.5
163.07536	17.4
165.05478	1.0
165.09106	9.1
166.06262	3.4
167.07033	11.8
175.07523	3.3
177.05450	20.7
177.06871	1.8
178.09843	1.5
179.07002	2.2
179.10753	1.3
181.08556	2.6
191.06987	2.2
192.30080	1.1
193.08601	31.3
195.08139	1.1
195.10121	2.7
206.07237	1.5
209.11729	3.3
211.07611	1.3
211.09622	30.4
212.09898	1.5
235.07469	2.0
237.08885	1.2
247.07565	1.2
252.07756	1.3
253.08630	1.7
254.09242	1.1
263.10754	2.5
265.08450	1.3
267.09943	1.1
279.06497	0.9
279.10095	1.1
281.16238	1.1
282.08707	1.5
294.08948	1.1
295.09573	3.0
295.13138	2.0
297.11142	1.3
309.11359	2.2
314.11453	1.6
323.12634	3.5
329.13809	2.1
341.13812	100.0
342.14160	4.3
373.16351	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	373.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
52.89027	0.3
54.46579	0.2
55.00423	0.3
55.01856	0.3
55.05496	0.7
55.27981	0.3
56.96550	0.3
67.05497	0.4
69.03410	0.7
69.07071	0.5
70.65819	0.8
79.01852	4.0
79.05470	0.5
81.07043	0.6
83.08586	0.3
84.69820	0.3
85.02947	0.3
91.05463	1.1
93.06998	0.7
95.08611	0.7
97.02887	1.2
100.11268	0.4
103.05473	0.3
105.07022	0.9
107.01295	0.8
107.04949	0.5
107.08589	0.9
109.10154	0.7
110.98129	0.3
111.04431	0.3
115.05444	2.2
117.07008	1.0
119.04939	0.4
119.08553	0.9
125.02340	3.6
128.06206	7.4
129.07010	0.4
131.04935	0.6
131.08542	0.4
132.05690	0.9
133.10089	0.6
135.11691	0.6
137.05952	0.9
141.11609	0.3
143.03381	7.4
143.08546	11.0
144.08879	0.3
145.06453	0.9
145.10110	0.3
147.04393	1.2
147.08015	0.6
153.01814	100.0
154.02127	2.4
156.05643	0.3
160.05200	2.3
161.05902	0.4
162.06783	0.3
167.07028	0.8
171.08034	11.4
171.09505	0.6
172.08438	0.4
174.06854	0.4
175.07530	20.8
175.14772	0.5
176.07919	0.7
177.09085	3.4
188.08319	0.4
191.06981	0.3
193.15945	0.3
203.10654	3.9
221.11708	0.9
313.11237	0.4
314.95401	0.3
327.12177	0.5
341.13809	0.3
343.11917	0.3
373.12601	0.6
373.20142	0.4
373.24899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Tangeritin
Peak:m/z	Relative Intensity
54.27800	0.4
56.96537	0.8
67.05464	1.2
68.99789	0.5
69.03407	1.1
69.07051	0.9
69.86710	2.9
71.04941	0.9
79.05464	0.7
81.07003	1.2
91.05428	0.8
93.07011	0.6
95.08621	0.6
97.02847	1.1
104.39369	0.5
105.06998	0.6
109.10062	0.7
127.03879	1.9
133.06477	2.4
135.04391	4.4
155.03352	0.5
159.11571	0.5
168.00508	0.8
183.02876	13.4
186.01503	2.1
193.01353	0.7
211.02383	7.9
214.06152	1.1
216.07768	0.8
228.04160	1.5
229.03247	3.4
239.06871	0.5
242.05698	0.7
243.06493	0.5
244.07372	0.6
246.05371	0.6
247.06024	0.6
254.05717	1.4
255.06493	0.8
267.06479	0.7
269.08069	2.0
269.10657	1.0
271.05978	7.3
272.06677	1.0
282.05316	2.7
283.06067	3.2
285.03909	2.1
287.11646	1.2
297.07559	10.6
298.07980	0.6
299.05481	3.8
300.06232	7.9
301.13083	1.5
313.06931	0.8
315.08536	4.0
323.05374	1.3
325.07068	5.5
327.05103	0.7
327.08633	1.4
328.05774	7.5
329.10297	0.6
332.16147	0.6
340.09467	0.8
343.08102	97.4
344.08453	4.5
350.17242	1.1
358.10425	14.9
359.10941	0.7
373.12799	100.0
374.13211	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	372.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73557	1.4
53.03930	1.6
56.96563	33.3
57.19960	1.3
60.21698	1.5
68.01130	1.4
69.44463	7.5
69.44888	4.9
70.81419	1.4
71.95255	4.2
77.50198	1.5
78.54700	1.4
79.05489	15.4
80.84309	1.5
87.04462	11.3
91.95434	1.4
98.20685	2.4
98.97567	1.5
107.08569	3.3
109.86964	1.5
123.01158	2.4
128.98596	4.1
146.99635	8.0
155.03856	1.9
169.05360	2.4
171.03279	3.5
173.04865	3.2
178.58813	1.8
185.04884	2.3
189.04306	4.5
191.05890	2.2
199.06438	4.0
201.04323	1.6
203.05853	4.4
206.33734	1.5
217.07484	5.8
219.08878	2.3
221.04910	1.4
225.04297	4.7
225.07939	2.1
227.05972	1.8
243.08955	7.1
247.08575	2.5
255.09019	2.4
261.10062	6.8
268.09784	1.9
273.09845	1.7
281.10727	1.7
286.10706	1.8
292.34866	1.7
299.11606	2.6
328.94189	1.6
331.15768	56.7
349.16837	100.0
350.17017	2.8
367.17883	19.0
372.18381	24.9
372.30905	3.3
390.19287	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	372.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51854	0.6
53.03933	0.8
55.05506	4.3
57.06868	0.5
57.07069	5.0
60.04519	12.4
61.32950	0.6
63.66378	0.6
67.05495	3.6
69.06776	0.5
69.07063	5.4
69.29536	0.6
69.76701	0.6
70.06585	1.5
71.08619	4.3
71.26256	1.2
72.66132	0.7
74.99998	0.6
78.01097	2.0
79.05467	0.8
81.07047	7.8
81.66906	0.5
83.08642	2.9
83.09050	0.7
84.08115	0.9
85.10167	0.8
87.04456	1.6
89.01574	0.9
95.08606	5.2
97.10152	2.2
106.04185	0.8
109.10121	1.7
121.18612	0.6
123.11678	0.7
141.66862	0.6
147.66096	0.5
268.29971	6.2
294.31427	0.7
314.94556	0.7
329.99048	0.6
330.29181	10.8
336.32516	0.9
372.30243	100.0
373.30627	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	372.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36871	1.6
55.93507	3.2
56.94307	1.9
60.01657	1.8
60.11004	1.6
67.05502	4.3
69.03432	1.7
69.07079	1.8
70.14650	1.7
70.95853	4.8
71.20475	4.2
72.93781	15.1
79.05489	7.0
81.07041	4.4
87.04409	1.9
89.94077	1.7
90.94817	8.7
91.05475	13.0
93.07030	6.7
95.04968	2.5
100.55061	1.6
105.07032	10.7
107.08508	1.9
108.95860	6.2
113.96359	2.6
117.06982	2.8
119.08578	6.6
121.10128	2.6
129.06972	2.6
130.97829	1.8
131.08507	2.0
138.98438	1.9
144.99507	1.9
145.10120	1.9
148.98993	2.0
151.02139	1.7
164.99948	6.6
171.11696	1.7
175.01947	2.0
178.39661	1.9
178.97903	5.6
180.99557	2.6
192.99493	2.1
212.02914	1.7
213.03592	2.8
227.05193	3.2
253.06775	2.7
267.10849	3.5
277.06433	2.1
279.08209	3.8
281.09763	10.1
283.11459	5.6
285.11673	2.6
329.11938	39.6
331.13525	100.0
332.13760	5.6
347.13156	1.7
349.14490	13.9
370.14651	6.4
372.16248	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42321	1.5
52.04638	1.4
53.03920	2.0
55.01854	1.9
55.05500	21.5
56.22521	1.5
56.42469	1.5
56.96540	2.2
57.03429	3.0
57.07074	10.2
59.04980	3.7
65.03910	2.2
66.17088	2.0
67.05169	2.2
67.05499	27.6
69.03419	6.1
69.07063	79.5
69.35246	2.5
69.35650	14.1
71.04981	9.2
71.08613	3.6
73.02918	1.9
79.05482	18.9
81.07050	100.0
82.07388	1.9
83.04987	11.8
83.08601	15.9
85.02900	2.1
85.06537	9.3
88.93432	1.4
91.05457	18.0
93.07029	46.6
95.04955	12.7
95.08598	50.0
97.06532	11.7
97.10121	3.2
99.04441	13.2
99.08084	2.7
101.02358	2.1
101.05971	2.8
105.07021	42.2
107.08587	57.9
109.06498	19.7
109.10147	72.4
110.10513	1.7
111.04455	2.7
111.08048	6.4
111.11698	11.9
113.09671	1.6
119.08569	24.3
119.36488	2.2
121.06524	1.8
121.09301	3.1
121.10130	44.5
123.08080	8.3
123.11706	30.7
124.11913	1.8
125.05991	2.0
125.13212	2.6
127.07544	11.7
127.11174	30.0
131.08562	6.5
133.10123	36.9
135.08076	3.8
135.11667	24.0
137.09596	3.6
137.13217	7.3
138.18958	1.7
139.11165	1.8
145.10106	12.0
147.11674	59.5
149.09625	12.4
149.13252	6.9
149.52431	1.5
151.07530	2.4
151.11172	69.6
152.11526	2.9
153.12740	29.2
155.14351	2.2
159.11644	8.1
161.13234	5.4
163.11156	11.5
163.14757	3.1
165.12738	50.7
167.10684	4.2
169.12209	11.6
171.13829	4.0
173.13281	2.3
175.07515	1.6
175.11185	7.4
175.14725	2.5
177.12709	2.4
177.16362	2.3
179.10655	16.1
181.12218	12.5
183.13745	2.1
187.11214	2.8
189.16270	1.8
191.10641	5.4
193.12231	46.7
193.15797	2.9
195.96718	1.7
201.16356	2.4
203.17966	2.9
207.13773	5.5
209.07956	1.7
209.11736	2.0
211.13190	2.1
215.12834	5.5
219.17455	2.7
227.12726	1.9
229.14293	28.8
237.18564	2.2
237.28749	1.4
264.13022	1.8
281.13806	1.8
281.22678	3.4
289.25381	2.7
299.23694	5.8
317.24683	21.7
335.25781	38.3
353.26788	3.3
371.18127	6.1
371.22156	3.8
371.26654	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
55.05506	28.4
57.02318	2.1
57.03437	3.2
57.07059	10.9
59.04991	7.0
59.70502	2.1
62.34980	2.3
67.05499	33.1
69.03412	10.2
69.07065	88.7
70.93860	3.7
71.04975	9.1
71.08621	4.8
79.05483	24.2
79.73392	2.5
81.07050	100.0
83.04957	16.0
83.08605	21.7
85.02869	3.3
85.06538	12.6
91.05461	14.7
93.07039	57.4
95.04945	15.1
95.08601	58.3
97.06524	12.5
97.10123	4.7
99.04437	15.2
99.08069	4.2
101.06017	5.6
105.06386	4.0
105.07027	58.0
107.08585	63.8
109.06520	24.8
109.10147	89.7
110.51601	2.3
111.04418	3.4
111.08060	8.9
111.11700	14.6
119.08568	29.0
121.10130	45.6
123.08043	8.0
123.11698	34.6
125.06039	2.6
127.07567	13.4
127.11182	40.1
131.08563	8.5
133.10112	45.5
135.08011	4.0
135.11684	30.0
137.09619	3.3
137.13240	7.5
145.10092	10.9
147.11674	57.2
149.09610	12.4
149.13214	7.7
151.11176	69.1
153.12743	35.5
157.10065	3.2
159.11688	5.8
161.09581	4.8
161.13324	4.3
163.11163	13.9
163.14777	2.7
165.12740	55.6
166.13029	2.8
167.10634	6.8
169.12218	16.2
171.00659	2.6
173.13327	2.8
175.11151	7.3
175.14790	2.9
179.10655	20.6
181.12236	18.6
183.11684	3.1
191.10660	12.2
193.12238	53.4
193.13934	2.2
193.15955	3.3
201.12759	2.9
203.17953	2.8
207.13748	2.9
209.11754	2.6
211.13223	3.1
215.12709	3.7
219.17413	3.8
229.14334	34.6
233.15306	2.8
269.12347	3.0
289.25156	3.7
299.23624	10.8
317.24725	27.9
335.25797	43.5
339.12308	2.5
353.26730	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	2.3
55.05501	12.4
56.96548	5.1
57.03426	2.2
57.07058	2.9
67.05486	17.2
68.04581	2.1
69.03410	7.5
69.07056	25.7
70.77216	4.4
70.77589	4.7
71.04965	4.1
71.93608	2.2
79.05481	16.8
81.03414	4.3
81.07040	56.2
83.04932	3.1
83.08601	5.7
85.02880	5.2
85.06536	10.2
88.03952	3.0
91.05458	11.3
92.82663	2.1
92.83242	2.0
93.07039	31.2
95.04932	8.3
95.08598	37.6
97.02921	3.1
97.06506	5.8
97.10169	2.9
99.04453	6.3
99.08113	2.3
101.05979	2.6
105.07023	24.8
107.04944	2.7
107.08583	27.0
109.02859	2.7
109.06493	9.7
109.10147	26.3
111.08044	6.0
117.07004	4.3
119.08553	16.1
121.06483	4.7
121.10139	17.1
123.08026	5.2
123.11685	26.4
125.05955	2.4
125.09586	4.8
127.07527	5.8
129.06979	3.6
131.08557	4.1
133.10124	22.1
134.04425	3.9
135.08020	3.7
135.11662	19.5
137.05940	9.9
137.09576	2.5
137.13205	7.4
137.61542	2.3
139.07556	5.1
139.11139	5.1
143.08568	3.6
145.04971	2.8
145.10100	11.0
146.99602	2.2
147.11668	12.4
149.13240	5.5
151.11157	29.6
153.01784	8.8
153.12727	2.4
157.10144	3.9
159.11673	6.3
161.13222	6.6
163.07472	3.4
163.11127	5.5
163.14786	2.2
165.12727	5.7
167.06963	4.1
167.10657	2.3
169.12190	5.0
171.11678	5.3
173.09618	2.8
173.13240	2.9
175.14780	5.4
177.00664	2.0
177.05441	3.1
177.12781	4.4
177.16365	2.8
179.10632	5.7
181.12285	4.4
187.07526	2.4
189.12723	2.8
190.09552	3.4
191.14194	4.5
193.12201	4.5
195.13777	2.2
197.13203	2.6
203.17868	2.7
205.12108	3.0
207.13799	5.6
209.06921	2.5
215.12704	4.1
217.08571	5.0
261.09302	2.1
281.22485	2.5
300.09814	3.9
305.24496	3.1
309.11008	2.3
317.24719	25.3
318.25003	2.8
323.25586	3.2
335.25778	40.7
339.12457	2.8
353.06577	6.3
353.13681	3.0
353.26736	5.4
371.18201	100.0
371.22208	30.2
372.18539	6.8
372.22519	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.2
62.68983	6.1
63.95378	5.7
65.43665	5.4
69.40121	37.0
69.40545	22.0
75.19444	5.8
81.07006	8.1
83.04966	8.1
85.02869	9.1
91.04926	6.2
91.05463	13.7
93.06975	6.2
95.04939	8.2
95.08599	14.9
98.20779	10.4
98.97575	12.5
100.11219	8.8
105.07040	7.7
106.46849	5.5
107.08539	12.9
109.10179	5.8
119.08580	9.9
121.10162	14.1
127.03906	10.2
129.06958	12.1
130.83971	5.6
131.08548	27.5
135.08011	9.2
137.05986	8.5
141.06990	22.9
141.11452	7.3
143.03392	9.5
147.35976	7.0
148.59602	6.1
149.09586	9.1
149.13251	8.4
151.11177	27.7
153.01799	72.9
153.09003	8.1
157.06429	9.7
158.07234	10.2
159.08028	17.0
173.13234	7.7
174.06747	41.9
174.32445	5.9
175.07515	10.9
187.07401	7.3
189.09068	73.1
191.14305	33.5
201.09070	27.1
208.87523	6.4
209.15392	26.8
219.10130	100.0
220.10582	11.0
371.11148	96.3
371.15283	9.1
372.11584	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40156	5.3
55.01860	8.5
55.05510	27.2
55.88049	6.4
56.96559	20.5
57.03431	8.9
57.07070	10.9
63.64137	5.1
63.92777	6.1
64.78245	5.1
67.05503	34.1
69.03429	13.1
69.07064	75.9
71.04987	11.6
71.21033	12.7
71.21412	5.1
79.05487	20.7
81.03401	8.9
81.07056	100.0
83.04978	12.5
83.08604	23.6
83.09045	5.2
84.08157	9.3
85.02884	6.7
85.06529	13.7
86.16454	5.8
91.05486	19.8
93.07020	47.2
95.01929	6.7
95.04974	18.5
95.08599	61.4
95.13924	5.8
97.02869	6.9
97.06544	8.1
99.04462	14.3
105.07024	44.8
107.08591	61.2
109.06516	21.4
109.10157	66.5
111.08076	6.6
111.11712	16.3
119.08562	30.4
121.10127	39.6
123.08073	9.8
123.11704	39.9
127.07548	8.2
127.11173	27.6
127.86956	5.3
131.08600	7.0
131.12247	5.0
133.10141	36.7
135.07974	6.5
135.11714	25.8
145.10124	21.1
147.11697	57.8
149.09601	10.6
149.13203	11.5
151.11154	66.3
153.12724	31.6
159.11639	7.5
163.11223	15.6
165.12732	47.1
169.12267	14.7
171.11673	7.8
175.11148	9.4
179.10706	18.6
181.12244	19.4
191.10588	7.2
193.12236	46.0
229.14325	34.2
242.28345	5.5
281.10617	12.5
282.17453	11.5
285.10098	9.8
299.11865	10.0
299.23618	8.5
300.18491	7.0
312.22137	8.4
313.16452	7.7
317.24759	21.1
330.23154	19.3
331.17529	23.8
335.25745	42.0
349.18591	58.5
372.24252	33.0
393.40686	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60140	3.4
55.05503	26.4
56.96563	33.6
57.07066	9.0
67.05502	30.5
69.03425	8.7
69.07062	86.9
70.79018	8.7
71.04979	13.1
71.08613	4.7
72.96030	4.2
79.05482	23.8
81.07045	100.0
83.04969	11.0
83.08607	17.6
85.06553	10.5
91.05456	22.0
93.07032	52.4
95.04954	16.2
95.08595	52.1
97.06509	13.8
97.10162	4.5
99.04433	15.9
99.08106	4.8
101.06010	5.3
105.07009	53.4
107.08579	64.0
109.06512	18.4
109.10144	84.6
111.08070	6.4
111.11691	12.1
112.82568	3.3
117.06976	3.9
119.08574	26.4
121.06519	4.4
121.10133	43.5
123.08039	10.8
123.11685	39.1
125.09532	4.2
127.07529	13.5
127.11173	31.5
130.01799	3.8
131.08549	9.5
132.13634	3.0
133.10112	51.1
135.08025	6.2
135.11685	32.1
137.09541	7.0
137.13266	9.2
139.11194	3.8
145.10124	14.1
147.11684	74.3
148.02814	6.9
149.09642	16.1
149.13234	6.6
150.04327	4.2
151.11162	75.4
153.12727	34.7
159.11673	10.8
161.13205	4.0
163.11188	11.1
165.12740	53.4
167.10741	3.8
169.12218	13.6
169.92204	3.3
172.99966	3.7
175.11188	4.4
175.14743	3.8
177.12698	3.8
177.16470	3.8
179.10564	17.8
181.12215	21.3
183.13628	3.6
185.48543	3.9
189.12669	5.0
191.10646	12.8
193.12213	56.2
201.16335	6.1
207.13828	4.3
215.12782	7.5
229.14325	30.8
264.16333	7.8
282.17383	47.7
298.20618	6.8
299.23560	5.9
300.18457	20.0
300.22128	20.5
310.20526	11.5
312.22086	20.2
317.24692	30.6
318.22931	3.5
330.23135	43.7
335.25800	48.0
353.26660	3.1
371.16205	14.8
371.23929	3.7
372.17102	3.7
372.24149	92.5
389.74063	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	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.37188	0.7
53.03936	4.8
55.01860	4.8
55.05515	4.1
56.96547	2.1
57.03422	8.4
58.56712	0.8
59.04968	1.6
59.83115	0.9
61.02919	14.6
65.03945	1.3
66.64517	0.8
67.05496	4.6
69.03420	34.8
69.07056	12.6
71.04989	6.2
71.41758	1.2
71.42105	1.5
73.02895	6.4
79.05477	6.1
79.24678	0.9
81.03407	15.0
81.07040	9.4
83.04981	2.4
83.08602	2.5
85.02894	95.0
85.06507	1.0
86.03231	1.0
87.04469	6.8
91.03951	5.7
91.05437	6.2
93.07047	7.4
95.04955	21.6
95.08601	6.3
96.93912	0.9
97.02880	32.8
97.06503	4.0
99.04435	8.4
100.13113	0.9
101.02390	1.6
103.05476	2.4
105.06411	1.3
105.07001	6.9
107.04952	3.6
107.08586	10.5
109.02861	11.3
109.06500	9.0
109.10165	3.1
111.08099	1.5
116.98592	0.9
117.07012	1.0
119.04978	1.0
119.08565	6.2
121.06491	8.0
121.10107	6.2
122.07275	3.6
123.08052	22.2
123.11705	1.7
125.09610	0.9
127.03897	28.3
128.06197	1.9
129.06984	4.6
131.04929	2.1
131.08559	3.4
133.06453	0.9
133.10101	6.7
135.08035	36.3
135.11708	6.1
137.05972	6.4
137.09613	1.7
137.13272	1.1
139.07535	1.3
145.04950	39.4
145.10109	1.9
147.11649	7.9
148.08798	1.8
149.05949	2.8
149.09636	3.8
149.13239	2.8
151.07512	1.5
151.11200	1.2
153.01807	5.5
157.06483	2.8
161.05968	1.1
161.09563	1.1
161.13200	1.1
163.06041	3.9
163.07465	1.0
163.11206	2.0
163.14844	2.4
165.12735	69.5
166.13040	1.6
167.06990	7.4
173.13269	2.8
174.06725	2.0
175.07584	1.0
175.11101	0.9
175.14803	3.2
176.11896	3.8
177.05481	8.6
177.12770	1.5
179.14459	0.8
181.04977	2.9
185.06035	1.2
189.09061	5.2
191.14284	100.0
192.14697	3.5
193.15884	7.4
207.13820	2.6
209.15323	13.3
209.17139	1.4
217.08664	3.6
218.07240	1.4
237.09444	1.0
241.08571	0.9
246.06873	1.0
247.09692	1.0
261.09201	1.6
264.07877	0.8
278.09396	1.4
309.11288	2.0
309.17105	2.0
321.11200	3.1
327.18164	2.1
339.12277	3.3
353.13837	1.1
371.14963	7.5
371.20651	49.4
372.20956	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	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23010	11.4
69.40219	100.0
73.23865	10.9
81.06996	11.8
83.04939	12.8
85.02910	13.4
86.79931	11.2
86.93809	9.9
89.80896	12.1
100.95452	11.1
105.07059	10.4
107.08604	16.4
129.06970	11.4
131.08559	24.9
133.10123	90.1
135.08086	15.8
137.05962	25.4
137.09612	43.7
141.06961	21.5
153.01805	68.8
157.06520	24.2
158.07210	10.6
159.07974	12.7
167.07031	12.3
174.06767	34.0
189.09145	58.7
191.14256	41.6
201.09120	32.2
217.08652	11.6
219.10104	99.8
253.95038	11.9
263.06924	11.0
337.31967	11.5
339.12268	56.9
371.11038	59.1
371.15182	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92809	8.4
58.26277	8.6
66.88429	8.3
71.44431	17.4
72.90918	9.7
105.07043	14.1
107.08579	14.4
121.10102	16.2
133.10127	100.0
137.06047	9.0
137.09612	74.1
153.01842	11.5
169.64323	9.6
191.14302	53.8
207.87872	9.8
339.12363	13.9
342.41656	9.4
371.15042	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94712	2.9
53.03936	3.8
55.05497	12.2
57.07067	3.5
67.05486	4.8
69.03440	19.5
69.07072	5.4
70.73705	9.7
71.04975	6.7
79.05485	10.9
81.03419	7.8
81.07050	5.9
83.04964	14.0
83.08564	3.5
85.02921	16.1
85.03366	2.4
86.09714	4.9
91.05457	15.1
93.07056	15.9
95.04964	51.3
95.08614	6.9
97.02888	47.6
97.06515	3.1
99.04465	13.5
100.11256	18.3
105.07027	19.7
107.04939	6.8
107.08585	100.0
109.02888	5.7
109.06502	9.6
109.10123	4.8
110.78661	2.6
111.04432	4.1
111.08070	8.8
117.06997	4.0
119.08610	6.4
121.06499	7.2
121.10081	15.3
123.08086	4.9
123.11726	3.3
125.09609	7.2
127.03905	12.6
129.13902	2.7
131.04939	4.7
131.08568	7.6
133.10110	52.0
134.10460	3.8
135.08041	27.4
135.11691	4.0
137.05984	8.2
137.09525	4.3
139.11169	4.3
145.04933	4.6
145.10147	6.9
147.11664	10.8
149.09624	4.6
149.13255	5.9
153.09105	18.2
163.11157	13.0
163.14767	3.9
167.07040	6.3
173.13245	10.1
181.12198	3.8
182.15363	4.2
187.07550	3.8
191.06921	3.4
191.10663	8.0
191.14294	61.2
209.11484	5.5
209.15338	39.6
210.14928	4.3
218.07251	5.9
221.05991	3.5
222.06662	4.2
227.17535	3.6
231.08176	4.0
233.09473	2.9
234.06665	4.0
235.07478	7.9
236.08350	3.2
237.09061	3.8
249.09053	10.5
252.07794	8.3
261.09055	5.2
263.06958	4.9
264.07788	5.8
265.04507	3.2
265.08630	15.1
266.09302	7.5
269.81445	2.9
276.72662	5.2
277.08545	6.3
278.09222	3.5
279.10220	5.4
280.07159	9.4
281.08194	5.5
291.10077	4.7
293.08423	4.1
293.11700	11.2
295.09433	4.5
296.10352	7.6
307.09683	4.3
311.12738	7.9
321.11151	6.8
339.12262	71.9
340.12762	11.2
353.13626	5.6
362.27161	4.9
371.04102	5.5
371.15359	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	371.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86908	2.3
60.05640	18.4
68.05016	2.5
69.96394	2.0
70.06584	100.0
70.19093	6.8
70.19501	4.3
71.04999	4.7
71.06927	2.6
72.08150	5.4
73.04762	3.7
83.45374	1.9
84.04450	2.2
84.23682	2.4
86.09694	9.6
91.05788	25.7
95.04934	2.2
95.06084	4.3
96.08073	2.2
112.08730	15.8
113.03462	8.0
113.07087	5.1
114.05510	8.8
115.08692	6.2
116.07081	18.8
120.47388	2.3
128.04529	4.1
130.09769	17.0
134.31163	2.0
136.07466	2.9
137.38377	2.4
142.90411	2.0
151.05003	3.2
153.10136	2.4
157.10849	3.5
158.09236	9.8
159.07578	3.2
175.11880	91.5
179.08162	5.2
187.79829	2.3
188.93796	2.1
196.10799	5.3
197.09192	5.7
201.09807	52.6
241.09285	5.1
248.13977	2.9
268.97794	4.6
285.00977	6.9
294.14423	3.0
300.13681	2.5
303.01926	2.6
353.19290	13.7
355.06973	3.6
371.13098	4.3
371.20392	45.8
372.20734	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.82249	1.6
55.05505	2.8
57.03437	3.1
61.02921	4.3
67.05495	2.8
67.54220	1.9
69.03425	19.2
69.07056	3.9
69.57957	13.5
70.06576	2.9
71.04998	2.3
72.26228	1.8
79.05500	2.9
81.03422	10.7
81.07053	5.1
83.04984	3.0
85.02898	32.4
85.03366	3.1
87.04452	1.8
91.03967	2.9
91.05463	2.5
93.07053	2.9
93.84407	1.5
95.04946	2.8
95.08597	4.9
97.02900	10.0
98.21483	2.5
99.04451	2.3
105.07015	5.3
107.04949	5.4
107.08585	7.8
109.02884	5.2
109.06509	7.2
109.10171	4.6
119.08536	4.0
121.06503	2.5
121.10129	10.2
123.08078	9.0
123.11659	3.3
127.03912	7.8
133.10138	4.4
135.08043	4.1
135.11687	1.8
137.06000	2.7
137.09573	8.9
141.02441	1.9
145.04939	7.4
149.09627	12.6
149.13289	5.0
149.77107	1.6
151.11172	26.7
159.08110	1.8
165.12741	47.2
167.07016	5.1
170.33960	1.8
179.08659	2.2
181.04979	1.9
187.07545	2.0
191.14334	7.8
203.53804	1.8
209.15358	100.0
210.15724	3.4
217.08658	3.8
249.09201	2.2
263.59052	1.8
266.09235	1.8
268.23715	1.6
293.11484	2.1
294.74588	2.2
309.11063	2.0
328.13016	4.1
339.12204	3.6
371.16519	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	371.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
53.55100	0.4
55.01868	0.7
55.05505	1.0
56.96554	0.6
59.37166	0.4
61.02904	0.4
67.05482	1.5
69.03424	1.6
69.07072	2.2
70.53567	0.4
70.73369	0.8
70.73737	0.9
71.04976	0.8
73.02960	0.4
74.02448	0.4
79.05487	1.9
79.22327	0.3
80.09383	0.4
81.03413	1.4
81.07043	2.8
83.04947	0.8
83.08595	1.0
84.16468	0.4
85.02908	2.1
85.06557	0.8
91.05477	1.9
93.07045	2.2
94.95470	0.4
95.04964	0.9
95.08595	2.8
97.02898	1.1
97.06523	0.5
98.97588	0.5
101.06042	0.5
103.05556	0.4
105.07021	2.0
107.04917	1.0
107.08590	2.8
109.02890	0.8
109.06508	1.1
109.10147	1.5
111.08051	0.5
115.05358	0.4
117.06981	0.7
119.04917	0.8
119.08582	0.9
120.01870	0.4
121.10143	1.6
123.08026	0.7
125.06033	0.4
127.03905	0.8
127.11163	0.5
129.06996	0.8
133.10112	1.3
134.99603	0.5
135.08015	0.7
135.11716	1.3
137.05972	2.1
140.43094	0.4
141.05489	0.5
141.06995	0.4
145.04945	0.5
145.10101	1.1
146.07217	0.4
147.04181	0.4
147.11642	1.0
149.05971	0.5
149.09634	1.0
151.11185	0.7
153.01811	1.7
153.12769	0.5
156.05730	0.5
157.10165	0.5
163.11168	1.1
165.12747	0.7
167.07043	2.9
169.08621	0.7
175.07538	1.3
175.11110	0.6
177.05557	0.5
181.04872	0.7
187.07581	0.6
189.09081	1.3
190.09622	1.9
191.10641	0.5
191.14351	1.6
193.12247	0.7
203.08563	0.5
209.11729	0.4
217.08710	1.1
218.07150	0.4
219.08110	0.6
219.10071	0.9
221.07951	0.5
231.08096	0.5
233.09636	0.5
234.06851	0.8
235.07664	0.6
247.07530	1.0
248.08479	0.4
249.09135	1.0
251.07140	0.5
252.07716	0.5
261.09174	0.5
262.06168	0.5
262.09741	0.6
263.07016	0.7
271.02512	0.8
277.08469	2.0
278.09335	0.8
281.15131	0.5
283.02478	1.1
285.07614	0.5
289.08301	0.5
293.11609	0.6
299.01965	0.6
299.05362	0.5
300.09756	0.8
307.09604	0.5
309.11288	1.3
311.12576	0.6
321.11237	0.9
325.10703	0.6
327.04764	0.9
335.25897	0.6
339.12335	4.8
340.12857	0.7
341.14075	0.6
353.13855	0.9
371.18280	100.0
372.18640	3.9
376.17151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.8
53.03941	4.7
53.27507	1.5
53.42906	1.6
55.01862	3.7
55.05499	4.0
56.96547	2.4
57.07073	1.8
65.03934	2.1
67.05481	5.8
69.03427	6.7
69.07057	7.0
69.43645	9.8
69.44067	4.4
71.04983	3.7
79.05479	16.4
81.03416	5.8
81.07039	11.6
83.08590	2.5
84.08138	2.0
85.02892	6.7
85.06547	6.7
91.05447	14.3
93.07038	8.6
94.04194	3.8
95.04964	8.2
95.08594	5.1
96.12532	1.6
97.02884	4.2
97.06498	3.3
98.97587	2.2
101.06001	1.6
103.05487	3.9
105.04546	1.7
105.07010	7.2
107.04939	19.4
107.08584	7.1
109.02871	2.1
109.06496	6.5
109.10150	4.5
111.04454	3.2
111.08126	1.8
115.05457	5.6
116.06234	3.3
116.98625	1.8
117.07018	4.5
119.04935	3.1
119.08540	4.7
121.06493	5.9
121.10130	5.1
122.03625	10.3
123.04456	2.0
123.08049	2.1
124.05194	3.4
125.05998	3.3
127.03960	2.8
128.06212	5.6
129.06984	15.6
131.04947	4.1
131.08540	14.8
133.02753	2.6
133.06465	2.4
133.10109	4.0
135.04480	2.1
135.08076	5.1
135.11641	4.4
137.05959	100.0
141.07002	5.3
144.05696	8.8
145.04979	3.5
145.06480	6.2
145.10091	4.4
147.04349	2.8
147.11679	4.0
149.05910	4.8
149.09647	2.3
151.03841	2.7
151.07521	8.4
153.01842	5.8
153.05470	2.0
156.05663	26.5
157.06493	10.6
158.07248	3.0
159.04390	2.7
159.08031	19.3
160.05190	5.2
161.01100	1.7
161.05954	3.7
161.13304	2.4
163.03874	3.0
163.11191	4.8
165.12833	2.3
167.03372	1.9
167.07005	49.9
167.08411	3.2
169.06473	4.0
172.05142	2.6
173.05956	3.4
174.06700	9.2
175.03896	2.5
175.07530	13.6
175.14912	1.7
177.05473	9.1
177.09045	2.8
178.07709	3.4
179.07010	3.1
180.05632	2.1
181.04988	4.0
181.06471	4.3
181.12160	2.1
184.05190	3.7
185.06023	1.9
186.06773	3.3
187.07524	24.7
189.07072	5.8
189.09108	9.9
190.07698	4.3
191.08563	2.7
191.14258	8.5
193.10052	2.6
195.06404	3.5
195.08047	2.2
197.05821	2.1
198.06700	3.3
201.09016	2.9
202.06241	10.2
202.07854	3.1
203.08566	10.7
205.06441	5.3
205.08569	7.5
206.07272	6.9
207.06345	3.4
207.08046	6.3
209.05951	3.3
210.06714	2.8
211.07491	4.9
215.06839	2.5
215.08640	4.7
217.06706	2.5
217.08568	73.8
218.07162	14.5
218.08893	2.2
219.08026	11.8
219.10159	7.1
220.08765	2.5
221.09645	9.8
223.07535	3.9
224.04753	3.3
224.08302	2.0
225.05450	3.1
226.06198	5.9
227.03488	2.3
229.08597	2.4
231.08023	8.9
232.08792	5.7
233.05975	3.2
233.09590	18.2
234.06744	10.5
235.07468	15.0
236.08141	2.8
237.05458	3.1
237.09084	4.2
238.09825	3.4
239.07027	19.6
241.08472	14.3
242.05745	6.8
243.08148	2.8
246.06796	6.2
247.07462	7.2
247.09660	27.9
248.08357	3.9
249.09053	21.9
250.06033	2.9
250.09869	8.0
251.07124	8.6
251.10820	3.1
252.07787	11.9
257.08054	6.5
260.08301	5.4
261.09088	32.2
262.06219	6.0
262.09653	6.2
263.07053	16.9
263.10263	2.7
264.07709	4.8
265.08591	6.4
266.09302	5.0
269.08069	8.3
271.06052	7.2
273.14703	2.1
275.07001	2.9
275.10690	2.9
277.08582	23.8
278.09323	17.0
279.06586	4.1
279.09970	5.8
280.07318	9.3
281.07901	2.9
281.11664	10.8
281.14728	3.0
283.09683	3.2
285.07523	55.3
285.10648	3.7
286.08160	6.9
289.08563	9.0
290.09280	2.6
291.06882	3.3
291.10193	5.4
292.10919	4.5
293.08163	6.0
293.11691	24.2
294.08893	2.9
294.11914	2.4
295.09583	6.7
297.10889	1.9
298.08319	3.6
300.09900	56.3
301.10602	15.6
306.08945	8.8
307.09622	9.5
308.06836	1.8
309.11148	24.5
311.09045	5.2
311.12698	3.5
313.10608	13.6
321.11142	35.4
322.11942	4.7
323.09048	10.3
324.09973	2.4
326.11423	20.3
327.12076	3.0
338.11426	11.6
339.12204	9.8
341.13785	12.2
353.13773	61.0
354.14081	3.9
371.14575	26.1
371.18439	59.6
372.18683	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.1
55.01875	3.0
55.05497	1.6
56.96535	1.4
58.28318	1.4
67.05490	2.3
69.03434	3.9
69.07046	2.1
70.07057	4.9
71.04985	3.1
79.05481	12.5
81.03402	5.6
81.07043	7.6
86.57507	1.4
86.91259	1.3
91.05462	10.6
93.07027	5.4
94.04191	3.3
95.04956	5.6
95.08584	2.1
97.02860	1.7
98.20855	1.6
105.07032	4.0
107.04945	23.3
107.08592	2.3
109.06492	5.5
109.10137	3.3
111.04475	1.3
115.05447	4.8
116.06252	1.7
117.06989	3.3
119.04962	3.4
119.08559	2.7
121.06531	1.9
121.10143	2.7
122.03635	8.5
123.04426	3.9
124.05204	4.9
125.05997	2.7
128.06209	4.9
129.06996	16.1
131.04897	6.2
131.08566	11.0
133.02827	2.4
133.06506	1.8
135.11700	1.4
137.05960	100.0
138.06274	2.6
141.06984	4.3
143.68631	1.4
144.05626	6.9
145.06471	5.2
145.10173	1.7
147.04266	2.0
149.05937	3.4
151.03873	2.9
151.07536	4.9
153.01804	5.1
153.05501	2.0
156.05682	20.3
157.06522	8.0
158.07193	3.3
158.72556	1.3
159.04393	2.3
159.08029	18.5
160.05185	4.2
160.76860	1.5
161.05959	4.3
163.03954	2.7
163.07401	1.4
163.11119	2.7
165.05605	2.0
165.06981	2.9
167.07018	47.5
169.06430	3.1
172.05177	4.9
173.05969	4.0
173.09340	1.4
174.06752	6.5
175.07512	15.0
177.05428	5.5
177.06842	1.5
178.07797	4.3
179.07066	3.1
179.08534	1.9
181.04993	3.1
181.06467	3.3
181.08629	1.9
182.07274	2.3
184.05234	3.5
186.06758	4.4
187.07509	20.0
189.07243	2.8
189.09093	13.3
190.07762	5.0
191.06975	2.7
191.08563	2.8
191.10721	2.0
195.06512	1.9
195.08080	2.1
198.06821	3.2
199.07558	1.5
201.09128	4.2
202.06212	6.3
202.07799	3.5
203.06967	1.9
203.08498	9.0
204.07755	1.8
204.09436	1.8
205.06470	4.1
205.08575	6.2
205.10266	2.1
206.07243	8.0
206.08986	1.5
207.06390	1.8
207.07957	6.7
209.06015	1.8
211.07449	6.8
213.08931	1.4
214.06244	2.9
215.06969	5.2
215.08562	4.5
217.06514	4.5
217.08557	65.2
218.07239	14.8
218.09032	2.1
219.07980	7.7
219.10168	8.0
220.08728	2.7
221.06058	2.9
221.09682	10.8
222.06676	1.8
223.07532	6.0
224.04663	2.7
224.08385	3.2
225.05502	2.7
225.08975	1.6
226.06206	3.8
227.06940	4.1
229.08600	3.4
230.07274	1.7
231.08026	8.1
232.08800	5.9
233.05949	3.4
233.09534	19.1
234.06731	12.2
235.07481	15.6
236.08035	2.2
237.05473	2.2
237.09018	3.7
238.09886	4.3
239.06989	18.9
240.07663	2.9
241.08565	19.4
242.05745	6.2
246.06775	6.7
247.07422	7.6
247.09660	24.4
248.08279	5.2
249.09065	26.7
250.06218	2.5
250.09824	4.9
251.07025	7.6
251.10638	2.9
252.07774	12.1
253.05157	1.5
253.08475	1.6
255.06532	3.9
256.03745	3.3
256.07236	1.6
257.08112	5.6
260.08255	4.0
261.09100	30.2
262.06348	4.2
262.09833	6.1
263.06973	12.6
263.10565	4.6
264.07721	2.8
265.05124	1.6
265.08524	6.3
265.12302	1.5
266.09372	6.2
267.10312	2.1
269.08044	10.0
271.05908	9.8
275.07092	2.7
275.10736	3.4
276.07736	2.1
277.08582	22.6
278.09268	17.4
279.06485	5.1
279.10071	6.9
280.07404	7.4
280.10388	2.0
281.08408	2.3
281.11716	10.4
281.14642	2.1
283.09641	3.1
285.07553	51.2
286.08096	4.2
288.08002	1.6
289.08591	8.5
290.09314	4.5
291.06564	5.5
291.10126	4.7
292.07312	2.5
292.10800	2.4
293.08087	6.8
293.11688	22.0
294.08838	6.3
294.11975	2.3
295.09558	7.0
296.10156	2.6
298.08401	2.3
300.09872	54.7
301.10583	14.3
303.10352	1.6
305.07971	1.7
306.08850	8.1
307.09531	9.0
308.06873	1.6
308.10284	2.9
309.11139	22.2
310.11780	2.9
311.09094	7.4
311.12595	3.4
313.10635	9.6
321.11151	35.1
322.11880	6.0
323.08881	6.8
325.10699	1.9
326.11429	19.1
327.12225	6.0
337.10626	2.1
338.11404	6.4
339.12225	17.3
340.12781	1.9
341.13803	12.6
343.15500	3.3
353.13791	54.2
354.14304	3.2
371.10580	3.1
371.14822	31.4
371.19547	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
67.05557	0.6
69.03487	1.4
76.27695	0.5
79.05542	1.1
80.89764	0.5
81.03473	1.1
81.07095	0.6
84.70364	0.5
85.02944	1.1
90.13993	0.6
91.05526	1.1
93.07088	1.1
95.08616	0.6
97.02887	12.5
98.97620	0.9
105.07100	1.1
107.04989	1.2
107.08653	1.2
109.02858	0.6
112.43137	0.5
116.98627	0.5
119.04995	0.9
121.06572	1.2
127.03946	1.2
131.04993	1.3
137.06029	1.4
138.79002	0.6
142.60663	0.6
145.06520	0.6
147.04460	0.8
152.06264	0.8
153.01923	1.0
157.06580	0.7
159.08185	1.0
163.11214	1.1
165.07082	2.1
166.07942	0.6
167.07195	0.7
167.44299	0.6
168.59175	0.5
175.07654	0.6
178.07901	1.8
179.08620	1.9
181.06573	1.9
189.07143	1.0
190.07790	1.1
191.08643	0.8
191.10794	0.6
191.14511	0.7
193.06612	1.0
194.07286	2.9
195.08105	1.5
196.08981	0.8
202.07881	0.6
203.08592	0.8
205.06628	2.1
205.10307	0.8
206.07243	3.4
207.08017	2.9
208.08937	1.2
209.06055	2.3
209.09608	1.1
211.07480	0.7
215.08658	0.9
217.08594	0.7
218.07352	1.6
219.08084	1.6
220.05290	0.8
221.06023	3.7
221.09839	0.7
222.06772	4.9
222.10381	0.9
223.07520	2.8
224.08218	3.0
225.09123	1.1
227.12784	0.7
231.08128	1.5
232.08856	2.0
233.06075	0.6
233.09764	1.6
234.06766	3.7
234.10455	1.0
235.07526	5.5
236.08292	3.3
237.05391	2.8
237.09140	2.4
238.06340	0.7
239.07083	1.2
239.10641	0.8
240.07643	0.8
247.07651	1.3
248.08345	1.3
249.05379	1.3
249.09097	13.0
250.06270	4.3
250.09746	2.7
251.07008	4.7
252.07814	11.6
253.08626	2.5
260.08331	0.8
261.09167	1.2
262.06329	0.6
263.07062	2.5
264.07813	4.9
265.05142	2.3
265.08554	17.5
266.09344	9.9
267.10028	1.4
275.10602	0.7
277.08508	4.0
278.09427	2.5
279.06583	2.4
279.09924	0.6
280.07297	11.3
280.10605	1.3
281.08035	7.2
292.07373	0.6
292.11115	0.9
293.08191	2.6
293.11752	9.6
294.08890	1.6
295.09625	5.1
296.10397	8.9
297.07663	0.8
297.11020	1.1
298.08218	0.6
300.50513	0.7
307.09851	0.7
309.11154	2.1
310.11819	1.1
311.12741	8.0
312.09814	0.8
313.10611	1.3
321.11218	5.0
323.09219	0.7
324.09988	1.5
325.10632	1.3
328.72037	0.6
339.12253	100.0
340.12762	8.1
353.13788	1.1
356.12546	1.0
371.14844	37.6
372.15195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42909	10.6
56.96566	58.0
60.72509	12.3
69.03435	12.9
70.06583	35.8
71.59703	15.2
72.08138	11.5
73.04751	11.5
82.41779	13.9
84.08144	20.6
85.02892	35.4
86.09682	15.6
91.05814	100.0
92.75381	12.1
97.02870	35.5
98.97582	28.7
109.02867	26.1
114.42854	12.7
116.98614	48.5
119.01894	14.7
121.06524	21.3
127.03900	15.1
128.98608	27.1
129.01805	14.2
129.05443	11.7
134.99667	27.7
146.99646	33.7
147.06596	13.0
153.01828	77.6
165.00726	13.4
185.04292	15.9
189.02502	15.0
201.00667	15.8
203.05266	17.8
213.00673	18.1
217.01758	20.5
219.01729	21.9
227.00368	17.8
237.02829	54.4
244.99635	14.9
259.02283	19.0
263.00726	25.9
268.97879	22.6
269.01541	13.1
277.03494	50.7
285.00873	41.6
303.01498	46.3
347.02899	14.1
355.06995	25.2
371.03424	34.8
389.03986	43.6
391.47214	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	370.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01857	3.7
55.05510	3.9
56.96549	2.5
57.03429	3.5
57.07066	15.7
59.04992	100.0
66.85145	1.6
67.05485	6.8
69.03421	20.8
69.07055	6.9
71.04963	2.5
71.59678	1.9
72.24818	1.6
74.02454	1.8
79.05505	9.1
81.03414	29.6
81.07038	8.4
83.04981	2.0
85.02895	18.9
87.14971	2.0
91.05457	13.9
92.05806	2.6
93.07030	17.6
95.04953	2.9
95.08595	4.7
97.02891	9.3
99.04450	4.7
103.05434	1.8
105.07021	10.4
107.04967	3.3
107.08580	12.4
109.02859	14.7
109.06508	5.2
109.10169	3.2
111.08076	2.4
115.11192	30.7
119.04923	6.3
119.08591	3.9
120.05260	3.6
121.06490	5.4
121.10110	10.9
123.08106	2.2
127.03882	11.9
129.07010	2.7
133.06479	3.4
133.10106	5.5
133.22565	1.7
134.01143	1.7
134.04485	1.7
135.08055	3.1
135.11658	3.4
137.05940	5.8
139.07471	1.9
139.11110	2.5
145.02913	1.9
145.04922	2.2
145.10107	3.9
147.04385	6.0
148.04749	2.7
149.09587	4.8
151.07497	2.2
153.01823	3.3
160.05229	1.8
161.06073	2.0
163.11150	10.9
167.07040	7.4
167.10661	7.0
168.06410	1.9
169.08530	3.3
173.15367	3.2
175.03917	5.0
175.07564	2.9
176.04265	5.8
185.13272	3.4
187.07544	2.1
190.06775	3.5
191.10663	9.1
191.16371	35.2
207.06511	8.7
208.06699	12.2
209.11606	4.3
217.08693	4.1
227.12717	4.0
235.07454	3.3
249.09129	2.8
265.08682	2.0
277.08777	2.4
281.11868	1.7
321.11450	2.7
323.09293	2.0
339.12192	13.9
352.11517	2.0
352.78647	1.8
370.13516	3.2
370.19019	2.2
371.14667	10.4
373.82571	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.3
55.05493	3.3
57.03433	4.5
59.04978	3.0
61.02919	3.6
67.05498	5.4
69.03414	20.6
69.07047	3.3
70.06599	5.1
71.04978	3.4
71.58022	2.8
71.58442	2.6
73.02913	3.5
79.05482	7.8
81.03402	7.4
81.07055	5.2
83.04974	9.1
84.08153	2.6
85.02889	30.8
88.54730	2.1
91.05463	12.7
93.07037	5.4
94.02563	2.1
95.04976	5.1
95.08601	4.4
97.02886	16.8
97.06615	2.3
99.04477	4.4
99.06000	2.4
105.03383	9.5
105.07023	18.5
107.08571	16.4
109.02865	5.9
109.06522	8.0
109.09079	2.1
109.10166	3.6
110.07220	2.2
111.04462	2.6
117.06994	4.0
119.04962	5.5
119.08565	18.6
121.06511	7.7
121.10130	9.9
123.08028	10.4
127.03912	9.5
129.06982	2.7
131.08505	6.5
133.06519	4.6
133.10097	18.5
135.04442	2.9
135.08049	8.2
137.05963	5.9
137.09612	5.6
145.02907	3.0
145.04878	5.5
145.10088	9.6
147.04401	6.7
147.08040	10.1
147.11647	11.1
148.19514	2.3
149.09613	23.6
151.11166	49.5
152.30037	2.3
153.01765	3.0
156.09360	8.0
159.08047	10.7
160.08829	3.0
161.09586	7.8
161.13203	11.5
163.07510	4.4
163.11189	27.4
163.88057	2.5
171.11699	6.5
173.13185	3.4
174.10371	34.1
175.03925	6.9
177.05431	4.8
179.07034	4.2
179.10693	5.9
187.11220	2.6
189.12720	100.0
190.09904	3.9
191.14287	40.2
207.06586	12.6
207.09862	17.6
207.13777	77.6
208.10951	4.7
208.14171	2.5
285.06451	13.7
300.61288	2.5
369.01630	2.4
369.15182	48.6
369.19110	6.3
384.60242	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03434	14.7
57.07056	2.0
65.03952	1.3
67.05168	1.4
67.05502	19.9
69.07069	8.4
69.44366	5.1
69.44797	6.1
75.28039	1.2
79.05486	15.6
81.07053	34.4
83.08604	10.1
85.06531	5.2
91.05468	13.0
93.07041	28.3
95.04938	1.6
95.08600	38.8
96.08994	1.3
97.10170	3.6
105.07024	23.4
107.08593	34.9
109.06539	2.5
109.10154	25.6
111.08089	5.4
113.09644	20.1
117.07014	3.8
119.08571	19.9
121.10136	24.2
123.08057	1.8
123.11687	9.1
131.08549	8.0
133.10115	23.7
135.11682	25.5
137.09608	2.9
137.13232	3.9
143.08542	2.9
145.10129	17.3
147.11671	22.5
149.13249	15.3
151.11217	5.8
151.14809	2.0
157.10114	5.5
159.11667	13.8
161.13231	18.3
163.14807	8.3
169.59299	1.2
171.11713	3.6
172.06097	1.1
173.13266	11.2
175.14792	11.0
177.16389	4.1
185.13246	4.6
187.14821	12.4
188.15074	1.4
189.16370	16.8
191.17929	2.5
199.14848	4.3
201.16357	10.3
203.17969	9.2
205.19505	2.1
213.16438	4.8
215.17902	9.2
217.19484	7.2
220.27835	1.2
227.17961	4.0
229.19516	4.8
231.20990	3.7
241.19518	10.8
243.21065	7.8
253.19553	2.8
255.21068	8.8
257.22623	31.8
258.23041	1.3
259.20584	2.4
259.24124	1.4
267.20993	1.6
267.23679	1.3
269.22568	2.0
273.21985	2.5
273.83969	1.3
274.90302	1.1
281.22668	3.8
285.25912	1.7
295.24182	2.4
297.25677	11.6
299.23663	1.4
351.30453	41.8
352.31042	2.2
369.31512	100.0
370.31854	2.8
375.90848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01854	2.5
55.05493	3.4
56.05848	1.2
57.03420	3.7
59.04976	1.4
61.02908	3.0
64.91384	1.1
65.03928	1.6
67.05491	3.8
69.03417	14.8
69.07050	3.5
70.75030	1.8
70.75348	1.8
71.04978	1.9
73.02911	1.7
73.45470	1.2
79.05468	3.3
81.03400	5.4
81.07041	4.4
83.04964	9.0
85.02892	22.2
85.87341	1.0
87.04449	2.1
91.05473	9.3
93.07008	6.1
95.04945	3.6
95.08581	1.8
97.02880	15.7
99.04447	2.8
105.07018	15.0
107.08581	15.8
109.02855	6.1
109.06506	7.3
109.10138	5.2
111.04428	1.7
117.06963	2.1
119.04913	7.3
119.08579	16.2
119.98508	1.1
121.06510	4.2
121.10139	10.8
122.07260	1.3
123.08044	5.6
127.03905	7.5
131.08557	4.3
133.06485	4.7
133.10112	21.8
135.08061	6.3
137.09641	7.4
143.08563	2.6
145.04942	4.2
145.10088	7.0
147.04384	5.6
147.07971	6.2
147.11674	8.8
149.09602	19.6
149.13174	1.1
151.11163	74.5
152.11508	1.3
156.09329	5.7
159.08047	14.2
159.11673	1.5
160.08784	3.5
161.09639	7.1
161.13237	11.9
163.11154	17.1
163.14719	1.7
165.12750	1.7
171.11671	7.9
173.09511	1.4
173.13249	2.5
174.10379	41.1
175.03845	8.8
175.11009	1.5
179.10651	4.4
187.11166	1.4
189.12720	100.0
190.13084	3.7
191.14279	31.7
205.12221	1.5
207.06508	15.5
207.13770	42.5
208.14180	1.4
225.07545	1.4
248.04886	1.2
249.14948	1.4
351.17825	1.2
369.14978	5.1
369.19095	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	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.3
55.05493	3.3
57.03433	4.5
59.04978	3.0
61.02919	3.6
67.05498	5.4
69.03414	20.6
69.07047	3.3
70.06599	5.1
71.04978	3.4
71.58022	2.8
71.58442	2.6
73.02913	3.5
79.05482	7.8
81.03402	7.4
81.07055	5.2
83.04974	9.1
84.08153	2.6
85.02889	30.8
88.54730	2.1
91.05463	12.7
93.07037	5.4
94.02563	2.1
95.04976	5.1
95.08601	4.4
97.02886	16.8
97.06615	2.3
99.04477	4.4
99.06000	2.4
105.03383	9.5
105.07023	18.5
107.08571	16.4
109.02865	5.9
109.06522	8.0
109.09079	2.1
109.10166	3.6
110.07220	2.2
111.04462	2.6
117.06994	4.0
119.04962	5.5
119.08565	18.6
121.06511	7.7
121.10130	9.9
123.08028	10.4
127.03912	9.5
129.06982	2.7
131.08505	6.5
133.06519	4.6
133.10097	18.5
135.04442	2.9
135.08049	8.2
137.05963	5.9
137.09612	5.6
145.02907	3.0
145.04878	5.5
145.10088	9.6
147.04401	6.7
147.08040	10.1
147.11647	11.1
148.19514	2.3
149.09613	23.6
151.11166	49.5
152.30037	2.3
153.01765	3.0
156.09360	8.0
159.08047	10.7
160.08829	3.0
161.09586	7.8
161.13203	11.5
163.07510	4.4
163.11189	27.4
163.88057	2.5
171.11699	6.5
173.13185	3.4
174.10371	34.1
175.03925	6.9
177.05431	4.8
179.07034	4.2
179.10693	5.9
187.11220	2.6
189.12720	100.0
190.09904	3.9
191.14287	40.2
207.06586	12.6
207.09862	17.6
207.13777	77.6
208.10951	4.7
208.14171	2.5
285.06451	13.7
300.61288	2.5
369.01630	2.4
369.15182	48.6
369.19110	6.3
384.60242	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01858	2.8
55.05507	3.2
57.03422	7.4
61.02915	5.7
62.15099	1.8
67.05514	2.7
69.03421	20.5
69.07080	2.1
71.04989	3.4
73.02895	3.9
79.05470	4.9
81.03402	6.2
81.07040	7.6
83.04976	19.9
85.02898	40.2
90.40845	2.0
91.05466	16.1
93.07021	9.8
95.04967	13.3
95.08601	4.6
96.09489	1.9
97.02881	17.8
97.06508	4.0
98.21526	4.6
99.04475	4.4
103.03948	2.7
105.07023	22.3
107.04951	2.6
107.08574	9.8
109.02869	5.1
109.06514	11.8
109.10145	9.1
110.95413	1.8
117.06962	3.4
119.04921	7.3
119.08562	16.6
121.06502	10.9
121.10148	13.5
123.04356	2.9
123.08042	6.0
123.11666	2.5
127.03894	11.6
131.08519	4.3
133.06464	3.1
133.10123	29.9
135.08047	5.9
136.08749	3.0
137.09610	9.5
143.08525	5.4
145.04959	6.2
145.10127	10.5
146.07329	2.4
147.04399	7.2
147.08037	9.6
147.11647	7.5
148.04713	3.0
149.09602	35.4
149.13232	2.3
151.11165	100.0
156.09332	7.8
159.08022	9.1
159.11696	4.6
160.08879	5.2
161.09615	15.0
161.13289	11.6
163.11182	34.7
165.05481	2.3
171.11659	9.9
173.13188	2.2
174.10379	20.0
175.03906	9.2
175.11113	3.8
179.10648	29.9
181.87949	2.5
187.11214	5.7
189.12717	71.4
190.13118	3.7
191.14291	61.7
205.12152	10.1
207.06476	21.0
207.13791	85.5
208.14136	2.9
241.10878	2.6
329.63239	2.0
369.06351	2.6
369.14926	4.5
369.19055	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	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03929	2.2
54.64462	0.5
55.01864	1.0
55.05517	0.8
56.96542	0.7
57.03416	1.8
57.80623	0.5
58.12378	0.5
62.45979	0.5
65.03922	1.5
67.05479	1.4
68.16595	0.5
69.03072	0.6
69.03423	7.5
69.07050	1.3
70.72813	1.7
71.04973	1.1
73.02901	0.9
77.03894	1.0
78.18969	0.5
79.01805	0.6
79.05469	1.4
81.03408	15.9
81.07027	2.3
83.04980	0.5
83.08618	0.6
85.02897	7.2
85.06506	0.7
87.21159	0.5
89.03911	0.8
91.05471	29.2
92.05817	0.7
93.07014	2.4
95.04958	1.7
95.08595	2.1
97.02886	3.3
99.04440	1.9
103.05466	0.9
103.72573	0.5
105.03378	1.2
105.07028	1.5
105.67294	0.5
107.04913	0.7
107.08577	1.6
109.02871	5.5
109.10125	1.8
111.98413	0.6
118.04041	0.6
119.04928	37.7
119.08588	0.7
120.05238	0.6
121.10133	1.3
123.08011	0.6
127.03886	2.3
129.03374	0.9
132.02048	1.6
133.10109	1.0
135.04448	0.6
135.11630	1.2
136.05141	0.7
137.05963	0.8
145.02838	0.6
145.10124	1.0
146.03419	0.5
147.04395	32.2
149.02319	1.4
149.09535	0.7
151.11145	0.9
155.96217	0.5
157.03926	2.9
164.04619	1.1
171.11664	0.8
172.90936	0.6
175.03891	53.1
176.04214	1.5
179.06996	2.5
192.04141	2.7
207.06505	100.0
208.06857	2.1
225.07594	2.4
307.09579	0.6
309.09354	0.6
315.23294	0.6
323.05270	0.7
336.99149	0.7
337.10599	2.3
351.10699	22.7
351.30930	0.5
369.12009	3.3
369.18674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01856	1.1
56.76145	0.5
57.03415	1.9
65.03917	1.0
67.05497	1.0
69.03422	9.1
69.40494	4.9
69.78183	0.5
71.01312	0.7
71.04983	1.4
73.02905	2.0
77.03937	0.8
79.05484	1.0
80.21425	0.5
81.03408	29.5
81.07042	1.4
85.02898	8.8
86.09727	0.5
89.03899	1.1
91.05470	28.9
93.07008	1.2
95.04951	1.3
97.02895	2.7
97.03425	0.5
99.04430	2.7
103.05450	0.7
105.03377	0.6
105.07008	1.4
107.04903	0.6
107.08576	0.7
109.02872	9.8
109.10150	0.7
114.95925	0.7
118.04173	0.9
119.04932	40.4
119.08575	1.1
120.05245	1.0
127.03893	3.2
132.02043	1.7
132.90868	0.5
133.02844	0.8
133.10086	0.6
136.05106	0.9
137.05939	1.0
145.02815	1.6
146.03575	0.7
147.04388	38.3
149.02292	1.8
153.01801	2.0
157.03928	3.2
164.04674	0.9
171.35976	0.6
174.39734	0.6
175.03885	56.1
176.04297	1.2
179.06979	3.3
189.12662	0.7
192.04222	2.8
207.06505	100.0
208.06874	3.0
210.05132	0.8
211.07468	0.6
219.08156	0.7
225.07477	3.2
307.09531	0.6
351.10703	27.8
352.10953	1.2
369.12100	2.3
369.18784	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.8
57.03417	5.4
67.05484	6.1
69.03420	73.9
69.36829	53.8
79.05493	9.4
81.03412	15.3
81.07042	7.0
82.47975	5.2
83.04969	15.3
85.02893	43.8
91.05463	16.5
93.07010	11.4
95.08601	15.5
97.02848	10.5
98.21438	11.3
105.07027	15.7
107.08630	7.9
109.02857	8.1
109.06475	7.2
109.10107	7.2
117.04483	5.6
119.04890	7.5
119.08567	16.3
120.08065	6.1
121.06469	19.8
121.10131	7.8
123.08064	42.6
127.03923	11.1
133.06476	83.3
133.10146	12.7
137.02336	15.3
137.09616	10.8
139.11186	6.7
145.10104	6.9
147.11742	11.0
149.09601	11.5
151.07544	51.3
159.11597	6.3
161.09528	6.8
161.13223	10.2
163.11191	13.1
165.12721	8.8
175.03932	12.4
189.12737	52.7
191.14339	33.8
207.06496	15.4
207.13789	100.0
243.13736	10.5
313.06979	8.0
341.06387	12.6
369.05872	28.7
369.14798	34.2
369.19031	11.0
370.05960	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	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40803	1.4
53.03942	3.0
55.01867	2.6
55.05511	19.6
56.96569	10.6
57.03430	2.8
57.07050	2.0
58.06578	5.4
60.04528	25.1
65.32745	1.5
65.81738	1.3
67.05503	21.0
69.03412	6.3
69.07074	15.9
71.04987	9.8
71.60092	2.6
79.05494	20.7
80.05018	3.0
81.03411	6.0
81.07053	21.0
82.06590	2.2
82.07362	1.8
83.04971	3.5
83.08606	12.4
84.08142	9.0
85.02876	2.5
85.06561	2.8
86.09202	2.6
86.09701	31.4
88.07623	3.3
91.05478	12.5
93.07037	15.6
94.07374	1.3
95.04963	6.5
95.08604	12.0
96.08131	2.3
96.08918	2.5
97.06539	4.0
97.10165	18.1
100.07609	2.8
105.07031	11.2
107.04942	2.0
107.08581	13.1
108.07328	1.5
109.06490	5.2
109.10160	5.0
110.06034	3.1
112.07602	24.5
113.06005	3.4
117.06993	4.7
119.04929	5.7
119.08556	6.2
121.06485	3.3
121.10148	8.9
122.09640	6.6
122.10431	2.1
123.08051	3.3
125.08790	1.8
125.09614	12.3
128.10718	27.8
128.98543	1.8
130.08650	2.7
131.08554	6.8
133.10097	1.5
135.08058	3.9
135.11642	2.0
137.09610	3.4
138.12772	4.6
141.07104	1.7
141.14444	1.7
145.10121	4.3
146.99680	1.6
147.04405	4.8
147.11716	3.1
148.11185	1.8
149.09604	2.5
153.09015	2.0
154.08623	7.2
154.12263	2.1
157.10109	2.9
159.11671	2.9
161.09586	2.5
172.09622	10.6
175.03893	8.0
180.13863	15.9
189.11244	8.0
199.06447	1.8
203.05856	2.3
204.13829	1.9
207.06531	12.4
217.07487	4.7
218.07785	1.5
223.13295	4.5
226.22374	1.7
229.07474	6.8
230.05609	1.7
230.07874	6.6
247.08525	6.3
248.08873	6.7
272.20142	3.2
273.18469	5.6
276.20236	3.9
290.21152	9.9
291.19431	7.1
308.22202	13.4
332.16284	1.8
332.22366	3.6
350.17029	2.4
350.23264	23.4
351.10782	2.2
368.18405	10.3
368.24301	100.0
369.24567	6.8
386.19318	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	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.47158	0.4
53.03923	0.9
57.03424	1.0
58.24418	0.4
65.03924	1.9
67.01844	0.6
69.03398	1.7
69.73637	0.4
70.63451	1.6
71.04984	0.8
71.21429	0.5
74.96249	0.4
77.03902	0.7
79.71288	0.4
81.03396	1.4
85.02879	1.9
89.03904	1.4
91.05475	28.5
92.05792	0.6
95.04971	0.4
97.02890	13.2
99.04423	1.9
103.05457	0.9
105.03394	0.7
109.02839	1.2
119.04935	34.3
120.05273	0.7
127.03883	2.8
129.03389	0.5
132.02028	1.7
133.02817	0.6
135.04408	0.7
136.05162	0.9
145.02814	1.0
147.04398	33.1
148.04762	0.7
149.02325	1.5
157.03949	3.1
160.01405	0.5
162.02997	0.5
164.04662	1.2
165.05469	0.4
174.03282	0.5
175.03896	51.2
176.04312	1.6
179.06996	2.0
187.69498	0.4
192.04112	0.8
207.06512	100.0
208.06915	3.2
225.07539	1.7
244.07379	0.5
369.11545	2.5
369.15662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1172
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03940	3.5
55.01854	1.0
57.03414	1.4
65.03911	0.8
67.05469	0.6
69.03085	0.6
69.03424	8.7
69.07049	0.4
70.33842	0.4
71.04985	0.9
71.58743	0.5
73.02889	1.6
76.54804	0.4
77.03938	0.5
79.05485	0.8
81.03406	24.9
81.07038	1.4
83.04966	0.5
85.02892	8.4
89.03899	0.8
91.05466	27.3
91.70717	0.4
92.05811	0.7
93.07053	0.8
95.04970	0.8
95.08595	0.7
97.02886	2.2
97.06525	0.7
99.04440	2.6
103.05452	0.7
104.37567	0.4
105.07030	0.8
107.04879	0.6
107.08579	0.6
109.02869	7.4
109.10136	0.8
117.03286	0.5
118.04195	1.0
118.43880	0.5
119.04924	40.4
119.08556	0.6
120.05208	0.6
121.02832	0.4
121.10110	0.7
123.08050	0.4
127.03889	2.3
129.03369	0.8
131.04887	0.8
131.08574	0.4
132.02055	1.6
133.02829	0.5
133.10144	0.6
135.04457	0.9
136.05238	0.5
145.02858	1.0
145.04994	0.4
146.03557	0.6
147.04387	32.5
148.04648	0.9
149.02313	1.8
149.09579	0.7
153.01807	1.3
157.03944	2.6
162.03087	0.5
164.04649	1.6
175.03882	53.2
176.04314	1.4
179.06969	2.9
192.04152	3.5
207.06496	100.0
208.06805	2.6
210.05063	0.6
225.07439	2.9
309.09448	0.5
318.03543	0.4
344.55176	0.5
351.10681	28.2
352.10995	1.2
369.11972	2.9
369.18765	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	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.1
55.01848	2.3
55.05293	2.1
55.05504	22.6
57.03423	2.7
57.07053	9.2
59.04970	3.6
59.69155	2.5
67.05167	3.4
67.05495	42.8
69.03410	8.8
69.07065	27.1
69.85771	14.9
71.04965	7.9
78.58743	2.3
79.05057	2.6
79.05483	36.1
81.07044	50.9
83.04954	5.9
83.08592	9.9
85.06521	4.8
91.05467	64.7
93.07032	81.0
95.04960	38.9
95.08600	61.4
95.09220	3.7
97.06503	10.3
97.10156	2.1
98.21410	3.4
103.05411	2.6
105.07017	85.2
107.08580	59.6
109.06526	16.1
109.10143	46.6
111.08072	3.7
115.05447	6.0
116.06210	4.5
117.07004	22.4
119.08566	100.0
121.06483	8.1
121.10119	48.6
123.08044	8.0
123.11694	13.5
128.06207	13.5
129.06992	18.9
130.07712	8.6
131.08548	56.1
133.10106	60.6
134.10579	2.1
134.85117	2.3
135.08026	15.3
135.11647	22.3
137.09587	6.4
139.11165	3.8
141.06943	7.1
142.07764	20.2
143.08540	39.1
144.09285	8.8
145.06458	4.4
145.10106	69.2
146.07230	4.7
147.07999	9.8
147.11711	20.8
149.09596	17.7
149.13286	3.8
153.06894	4.3
154.07787	2.8
155.08551	13.5
156.09331	14.1
157.10109	60.5
158.10844	8.3
159.08043	5.6
159.11684	41.8
159.12920	1.6
161.09605	42.1
161.13242	7.8
163.11121	4.4
163.14827	3.3
165.07051	3.8
167.08514	8.7
168.09372	4.3
169.10104	24.2
170.10834	8.2
171.08035	3.1
171.11684	25.2
172.12459	3.8
173.09564	8.5
173.13254	24.3
175.11143	10.0
175.14810	18.8
179.08519	10.1
180.09247	3.4
181.10077	8.2
182.10863	5.1
183.11667	24.2
184.12383	7.4
185.09698	4.8
185.13306	16.9
187.11154	3.4
187.14825	14.2
189.12738	4.3
193.10034	6.5
194.10873	9.2
195.11693	13.7
196.12384	5.7
197.09456	3.0
197.13196	16.9
198.10397	2.8
199.14856	14.2
201.12735	7.5
201.16380	7.7
205.15836	3.0
207.11623	8.7
209.13268	25.4
211.14787	10.3
212.15402	2.4
213.12700	6.0
213.16400	4.8
215.14337	3.3
219.17453	3.4
221.13206	3.7
223.14807	8.4
224.15523	3.0
225.16393	4.4
227.14250	19.5
234.13863	2.8
235.14876	3.0
237.16310	4.0
239.17972	10.0
249.16180	3.2
253.16032	2.6
253.19440	2.9
255.17374	7.0
257.18997	6.7
259.18219	2.6
265.19443	4.7
267.17126	3.1
269.18909	2.8
271.20444	3.6
275.20151	2.7
283.20596	3.6
284.21249	2.9
293.18994	4.0
349.25076	9.7
367.26059	19.2
367.30038	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	368.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13015	0.8
51.08426	0.7
52.51339	0.7
65.03941	0.8
69.03403	2.5
70.06587	1.7
70.75494	1.7
73.30317	0.8
84.08138	1.2
85.02898	3.1
89.03937	0.7
91.05463	7.7
95.01308	4.6
97.02879	8.5
105.07005	1.0
112.11252	1.5
113.02354	5.6
119.04923	20.1
123.00778	7.3
125.02244	1.9
127.03882	0.8
129.13829	1.1
136.07553	1.3
141.01807	5.3
143.03404	2.8
145.02824	1.1
147.04387	100.0
148.04739	2.5
156.38768	0.8
156.42770	0.8
163.03911	1.5
165.05450	67.9
166.05785	1.3
169.01297	5.1
175.03836	3.9
177.05481	1.4
181.01268	1.3
189.01820	1.6
191.03415	1.8
201.01758	1.0
207.06522	5.3
217.01373	1.5
219.02911	2.2
245.00830	2.4
247.02434	3.7
263.02005	1.1
277.03333	1.0
291.01337	2.0
300.99768	1.5
305.02850	0.8
346.65948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01864	2.5
55.05490	2.6
57.03427	5.0
57.07066	2.1
61.02916	10.5
67.05503	2.7
67.89351	1.0
69.03419	18.1
69.07058	13.5
70.63712	3.2
70.64066	1.5
71.04980	4.2
73.02908	2.8
79.05473	2.1
81.03410	10.4
81.07053	4.4
83.08606	3.9
85.02897	100.0
87.04456	2.1
91.03946	7.2
91.05469	8.1
93.07040	3.1
95.08604	4.1
97.02885	23.2
99.04450	4.9
105.07016	2.4
107.08563	1.8
109.02862	7.8
109.06527	1.6
109.10122	2.6
119.04924	6.9
119.08599	2.5
121.10141	1.4
123.11691	1.2
125.13251	1.7
127.03915	24.1
133.10103	1.1
134.04454	2.1
137.05894	1.4
143.14307	12.7
143.45195	1.3
145.04942	42.1
145.10063	1.4
146.05298	1.5
147.04408	7.0
147.11722	1.8
163.03902	4.4
163.06024	6.6
173.13445	1.3
175.03899	11.9
207.06499	20.3
266.95975	1.9
337.10709	1.7
351.10876	4.1
369.12558	2.0
369.16556	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01854	6.9
55.05495	13.7
56.96546	5.7
56.98719	1.5
57.03416	5.9
57.07062	3.1
61.02914	1.8
67.05500	27.7
69.07059	15.0
69.35252	8.8
69.35690	8.2
75.62551	1.4
76.02158	1.7
79.05485	21.5
81.03408	2.3
81.07051	28.1
83.04958	4.7
83.08610	8.0
85.02872	2.1
85.06487	2.1
91.05470	23.0
93.07036	27.8
95.04968	9.1
95.08598	20.1
97.06512	4.5
97.10167	3.3
105.07018	31.2
106.07354	2.0
107.04918	7.0
107.08582	17.5
109.06497	10.1
109.10149	10.1
111.08060	2.5
115.05486	1.5
116.98508	1.8
117.06988	9.8
119.08571	17.7
121.06493	13.0
121.10101	10.0
123.08073	5.1
123.11693	2.9
125.09635	2.2
129.06963	3.3
131.08542	19.7
133.06480	2.7
133.10123	19.7
135.08054	5.9
135.11659	5.9
137.09554	3.7
143.08514	6.2
145.10101	13.9
147.08003	3.2
147.11665	13.4
149.09584	6.5
149.13249	2.5
151.11148	5.5
155.08548	3.7
157.10109	4.1
159.08087	3.9
159.11711	11.3
161.09579	3.9
161.13232	4.5
163.11168	5.0
169.10100	2.1
171.11720	3.6
173.09486	1.8
173.13240	5.5
175.11143	3.5
177.12718	1.9
183.11594	2.1
187.14740	1.7
191.14296	3.3
201.12717	3.0
207.13776	3.8
219.13791	3.7
229.07475	2.6
233.10706	2.1
239.17937	4.6
247.08588	2.4
247.20480	2.8
257.18948	17.9
273.10147	2.0
275.20032	100.0
276.20343	3.2
280.06418	3.0
293.20981	11.5
294.31671	1.8
298.96793	1.6
306.77966	1.6
342.21027	1.7
349.16931	2.2
349.23782	31.4
355.58835	1.9
367.17682	3.7
367.24158	16.3
367.28082	12.9
394.31143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
55.70425	0.5
56.96565	31.9
61.02918	0.7
67.05488	1.8
68.03326	0.5
69.03432	0.6
69.07050	2.1
70.06557	0.6
70.73299	1.8
71.04960	0.9
71.95274	3.7
72.96040	1.0
74.97611	1.1
79.05485	5.7
81.03426	0.9
81.07058	8.4
83.04982	0.7
84.96033	0.9
91.05466	1.9
92.98672	0.8
93.07039	2.4
95.04974	0.8
95.08591	2.5
97.06512	1.3
97.10145	1.1
97.96831	1.1
98.97593	0.9
101.73711	0.5
102.97005	0.6
105.07038	3.3
107.08597	3.6
109.06509	1.2
109.10145	2.4
110.97613	0.7
115.00677	0.5
115.97778	0.5
116.98605	1.3
117.06997	0.7
119.08560	2.1
121.10167	0.8
123.01169	1.1
123.08031	1.1
123.11729	1.1
128.98627	4.5
131.08578	0.9
133.01756	0.6
133.10092	1.9
133.98848	0.7
134.99623	1.0
135.11708	0.6
137.02737	0.7
137.51801	0.5
141.02199	1.2
143.00162	0.7
145.01752	0.8
145.10106	0.9
146.99655	7.1
147.03329	0.6
147.11703	1.5
148.00471	1.2
149.09583	1.2
149.13280	0.7
151.11180	1.9
155.03778	1.4
155.08499	0.7
155.87167	0.7
157.01741	0.6
159.03288	0.6
159.11661	1.0
160.00462	0.9
161.01212	2.0
165.00690	1.7
165.12732	0.9
169.01683	0.8
170.01236	0.7
171.03259	2.0
173.01204	1.0
173.04839	2.5
175.02817	0.8
175.06372	0.6
175.11290	0.7
177.04303	1.1
179.02328	0.8
179.10571	0.8
181.05357	0.7
183.03242	1.1
183.06969	0.8
185.04848	1.9
187.02811	1.2
187.06305	0.6
189.04294	3.7
191.05922	1.7
193.12279	0.6
195.06944	1.2
197.04863	0.7
197.08452	0.5
199.02718	0.8
199.06422	6.3
201.04341	1.2
201.07896	2.5
202.05177	0.9
203.02272	0.6
203.05898	4.4
203.09454	0.6
205.07428	1.1
211.06346	3.9
213.07982	4.7
215.02263	1.2
215.05782	0.7
217.07471	12.8
219.09039	2.5
223.02719	1.2
223.06448	0.9
223.08513	2.1
225.07997	1.9
227.06017	1.0
227.09596	0.8
229.07474	30.6
230.07928	0.7
231.09042	9.8
235.08382	0.6
237.04314	1.3
239.05861	0.7
239.09550	2.5
241.07466	1.3
241.11047	2.0
243.09044	4.7
245.07240	0.6
245.10587	0.8
247.08533	34.5
251.09468	3.7
252.09068	3.1
253.07266	0.7
253.11287	1.0
255.09042	4.6
257.06882	1.2
257.10559	2.2
258.07742	1.8
259.08481	1.4
259.12152	4.2
261.10162	3.8
266.10617	0.7
267.09134	0.9
269.10590	18.7
270.10281	1.7
271.12131	0.7
272.42239	0.6
273.09973	4.4
275.20050	0.7
276.08710	1.0
279.08926	1.2
280.09784	1.8
287.11642	10.9
292.12152	2.1
297.10114	3.1
298.10840	1.5
303.23209	1.0
307.15829	0.7
310.13361	0.6
313.21515	1.3
315.11169	1.5
331.15729	10.0
331.19238	0.9
331.22604	1.6
349.16858	19.1
349.23544	1.3
350.17206	0.8
367.17908	100.0
368.18405	4.1
372.18484	2.3
385.18967	28.5
386.19482	1.0
390.19354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46255	0.1
71.58136	0.1
79.21576	0.1
82.99861	0.1
84.18666	0.1
87.71970	0.1
101.00878	0.3
119.01907	6.0
120.02007	0.2
122.97788	0.2
134.99883	0.4
137.02942	4.1
138.02950	0.2
140.98788	0.2
142.03438	0.1
153.00917	0.7
158.99849	0.5
165.99626	0.2
177.00931	19.1
178.01035	0.9
179.00957	0.1
179.42249	0.1
182.99902	0.5
183.97911	0.1
193.04024	0.5
195.01956	0.3
200.02504	0.4
201.00885	0.9
203.36545	0.1
215.37262	0.1
217.04082	2.6
218.03770	0.3
219.01981	24.5
220.02145	1.3
221.01877	0.3
225.00816	2.4
226.01122	0.2
232.95020	0.1
234.99959	0.4
236.00111	0.4
236.99763	0.3
237.03154	0.1
240.05560	0.2
242.03596	0.5
243.01920	5.4
244.02135	0.2
253.00928	0.2
254.83876	0.1
255.00755	0.2
258.99966	0.8
260.00165	0.8
260.04617	0.5
261.03027	100.0
262.00244	0.2
262.03131	5.0
263.03192	0.6
264.98975	0.2
266.03513	0.2
275.04688	0.3
277.00919	1.1
278.01157	1.3
279.00967	1.0
280.00870	0.6
282.99878	1.0
284.00067	1.3
284.04623	4.0
284.99838	0.5
285.04684	0.2
301.01010	2.8
302.01135	4.5
303.00867	1.6
304.01053	0.3
319.02161	0.2
320.02264	0.4
324.00342	0.2
325.01141	0.2
326.01266	0.3
342.01755	0.2
342.95203	0.3
343.01953	1.0
344.02130	1.7
345.01971	0.1
361.03262	0.2
362.03232	0.8
364.50391	0.1
367.01849	0.9
367.09323	0.2
385.03131	4.1
386.03064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05481	1.9
56.96556	28.3
57.03417	0.8
59.00347	0.4
67.05504	4.2
67.16111	0.5
69.03407	0.5
69.07036	2.1
69.66451	3.2
71.04977	0.5
71.95245	2.5
72.96014	0.7
74.97593	1.3
79.05480	4.9
81.03378	0.4
81.07038	5.2
83.04939	0.9
83.08588	1.2
84.00165	0.5
84.96023	1.2
85.02894	0.8
86.09660	0.6
91.05463	2.4
93.07032	3.1
95.04930	1.2
95.08603	2.5
97.06522	1.2
97.10140	0.6
97.96802	1.1
98.97587	1.2
105.07005	2.8
107.04931	0.7
107.08572	1.9
109.06497	0.5
109.10148	1.5
110.97532	3.2
115.00661	1.1
115.97807	0.6
116.98593	1.5
117.07016	0.5
119.08549	2.1
120.98034	0.6
121.01702	0.5
121.10123	1.7
123.08038	0.6
125.09617	0.5
128.10727	0.8
128.98576	7.5
129.99373	1.1
131.00107	0.9
131.08560	1.0
132.71910	0.5
133.01685	1.1
133.10097	1.4
134.99661	1.1
135.08012	0.6
135.11649	0.6
137.02727	0.7
139.00662	0.6
141.02197	0.7
141.99463	0.5
143.00128	1.5
145.01770	0.7
145.10027	0.7
146.99641	9.5
147.03275	1.2
148.00392	4.1
149.01225	0.6
149.09610	0.9
155.03807	1.6
155.08572	0.6
157.01758	0.5
159.03282	1.1
159.11670	0.9
160.00400	1.8
161.01201	3.4
161.04759	0.7
165.00708	2.3
166.01509	1.7
167.03763	1.0
169.01648	0.8
169.05298	0.9
170.01210	0.6
171.03241	1.6
173.01265	1.1
173.04822	2.3
173.13121	0.6
175.02727	1.2
179.02271	1.2
181.05261	1.2
182.45784	0.5
183.03290	1.2
183.06927	1.5
184.04102	1.1
185.01190	0.7
185.04854	3.1
185.08417	0.7
186.01854	0.6
187.02762	1.2
187.06377	1.1
189.04349	5.2
191.05884	2.4
195.06972	0.5
197.01193	2.6
197.04797	1.5
199.06389	12.9
199.80463	0.5
201.00688	1.5
201.04283	1.5
201.07925	5.7
202.05054	1.2
203.02179	0.7
203.05890	6.6
203.09523	1.1
204.02989	0.6
205.07405	1.1
211.06360	6.8
212.03511	0.6
213.04451	0.6
213.07957	2.3
215.02220	5.4
215.05841	1.4
215.09569	0.6
217.07452	28.3
218.07683	0.7
219.09058	4.4
221.06825	0.8
222.07979	1.2
223.02820	1.1
223.06375	1.9
223.08444	1.2
225.04362	1.5
225.08018	0.6
227.05832	1.9
227.09488	0.6
229.07448	57.0
230.07841	1.9
231.09010	2.8
233.03232	0.7
233.06964	0.5
235.08463	1.2
239.05890	2.2
240.06648	1.9
240.09123	1.3
241.07481	5.5
243.09012	5.0
245.06914	1.6
247.08508	68.1
248.08865	2.7
252.09023	6.6
257.06958	6.0
257.18863	0.5
258.07730	7.6
259.08502	9.9
261.10004	4.6
270.10159	3.1
273.10049	1.0
275.07953	2.4
275.19931	3.0
276.08807	8.1
277.09476	2.5
280.09552	1.1
281.09714	0.6
282.10040	1.0
285.10062	0.7
290.06821	0.5
290.21039	0.6
298.10736	0.6
307.15891	1.3
313.14694	0.6
331.15759	9.5
349.16779	14.1
349.20700	0.9
349.23532	1.1
350.17169	1.0
367.17859	70.6
368.18262	3.8
368.24268	1.3
372.18372	1.5
378.18369	0.5
385.18921	100.0
386.19324	5.3
390.19305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
55.93534	0.4
56.96567	2.6
67.05496	0.9
69.07044	1.4
70.44619	0.5
70.44958	1.4
70.95832	1.0
72.93786	2.1
77.22478	0.4
79.05475	1.5
81.03418	0.6
81.07034	1.2
88.96884	0.7
90.94811	1.6
91.05469	1.0
93.07059	0.4
95.04967	0.6
95.08570	0.7
105.07035	0.5
107.08577	0.6
128.96362	0.4
160.95110	0.4
165.00014	0.4
169.03500	0.4
172.00690	0.4
184.99059	0.5
208.08186	0.4
215.03786	0.5
217.07430	0.4
219.10834	0.5
227.03740	0.5
231.10773	1.0
239.09378	0.6
245.04666	0.7
257.10535	0.7
259.06348	1.7
259.12241	0.5
261.04227	0.5
271.06198	2.5
281.10422	0.5
299.11600	0.4
313.07776	0.9
317.19608	3.8
321.47626	0.5
333.19388	0.5
335.21082	1.5
347.13031	5.8
349.16724	1.4
353.21619	1.0
365.22946	100.0
366.23334	1.9
383.15518	2.1
383.22745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
56.96562	6.2
61.02907	2.4
63.28070	1.0
64.15317	0.9
67.05497	5.9
69.03402	3.5
69.07047	4.1
71.04987	2.4
71.59383	1.3
73.02874	1.4
75.48559	1.0
79.05485	6.9
79.54472	1.1
81.03407	3.4
81.07049	7.5
83.04995	1.1
83.08586	1.5
84.21146	0.9
85.02872	2.7
91.05462	5.2
93.07030	6.4
95.04965	2.3
95.08590	4.6
97.02876	3.0
98.97572	1.4
105.06996	3.5
107.08572	5.8
109.06477	1.5
109.10124	3.2
112.11197	1.1
116.98538	2.0
117.07010	2.2
119.08572	3.2
121.10134	3.2
127.03941	1.2
131.08521	1.8
133.10114	4.1
134.99619	1.0
135.08023	1.1
135.11687	1.7
145.10126	1.7
147.11633	1.7
147.18399	1.1
149.01189	1.6
157.10054	1.4
161.01253	1.0
161.13232	1.2
163.04039	1.1
177.00691	2.1
177.05534	1.1
182.56319	1.0
183.98161	1.1
189.00716	1.7
195.10008	1.2
195.11731	1.3
198.96771	1.6
203.05748	0.9
213.09763	2.0
231.10759	5.2
243.08966	2.5
246.91176	1.6
248.11929	1.0
254.12289	1.1
257.10681	1.4
259.20612	1.5
267.09052	4.6
269.10641	1.7
273.09967	1.4
273.18909	1.2
277.21707	2.3
285.10104	11.0
287.11575	2.3
293.05377	1.1
301.13095	2.2
315.12231	1.6
315.17990	1.3
333.19003	3.5
351.20108	1.7
365.10422	2.4
365.22906	100.0
365.26547	5.6
366.23257	2.2
383.22678	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77144	0.5
56.96537	0.5
66.34505	0.4
67.05490	1.2
69.07056	1.0
70.12683	1.7
77.00890	0.6
78.55413	0.4
79.05482	0.9
81.07040	1.9
82.62365	0.5
91.05428	0.6
93.07047	1.0
95.01933	0.6
95.04955	0.7
95.08599	0.9
97.02898	0.7
105.06983	1.0
107.08572	0.7
109.06412	0.4
109.10164	0.5
121.10142	0.5
130.37395	0.4
133.10214	0.5
135.11714	1.0
137.84137	0.4
139.12907	0.5
145.10136	0.5
148.66661	0.4
195.05045	1.8
199.27968	0.5
201.09624	0.5
209.06560	1.0
213.06055	1.3
215.11249	1.0
215.29550	0.5
227.07622	0.5
231.10773	1.3
249.14479	0.6
252.11961	1.1
267.14340	4.8
270.13165	1.0
285.10184	1.4
285.15280	3.3
295.14978	0.7
315.18079	0.9
333.19067	2.5
347.13098	0.6
347.21561	0.8
365.22949	100.0
366.23361	1.4
383.22885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08771	2.0
55.05497	2.4
55.14216	2.1
56.72619	2.2
56.96288	4.1
56.96559	65.7
57.03425	5.0
61.02900	2.2
63.29807	2.1
67.05504	10.6
69.03413	4.4
69.07037	5.7
70.00301	12.5
71.95249	3.4
79.05466	8.0
81.03400	5.4
81.07029	8.9
83.08574	2.8
85.02881	6.7
89.71777	2.3
90.94798	2.2
91.03976	2.1
91.05470	6.0
91.41659	2.2
93.07032	7.6
95.04938	6.3
95.08604	6.3
97.02857	4.1
97.06510	2.8
98.97565	2.8
100.38348	2.1
105.07001	5.5
107.08574	5.5
109.10145	3.4
115.00654	3.3
116.98531	3.3
119.08578	4.5
119.33607	2.5
121.10122	4.5
123.01229	4.1
124.67040	2.0
125.09624	2.6
128.98573	2.5
131.08609	2.9
133.06503	2.9
133.10089	5.0
134.99640	2.5
135.11632	2.9
145.01688	2.2
145.10175	2.7
145.54668	2.0
146.99673	2.6
147.03174	2.4
151.11140	2.2
155.03749	3.9
173.04982	2.5
185.04724	4.0
189.04358	2.9
199.06407	7.4
203.05826	5.5
211.06430	4.0
213.07965	6.5
217.07449	19.6
225.08051	3.3
227.09491	2.2
229.07483	3.6
231.09058	7.5
237.07910	2.9
243.08948	5.6
243.12494	2.9
245.10626	5.4
251.09537	10.2
255.08994	15.2
269.10577	100.0
273.10153	8.8
285.10043	7.5
285.15250	2.8
287.11649	49.4
292.12158	11.8
295.12140	3.8
310.13284	3.0
313.13202	3.9
333.09738	7.7
365.10208	3.4
365.16544	39.8
365.22836	63.4
383.17410	45.0
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
50.48920	1.2
55.01864	2.7
55.05511	3.6
55.36796	1.4
56.96558	2.6
64.34862	1.4
67.05507	7.0
68.13757	1.4
69.03426	6.4
69.07051	4.1
70.06568	1.6
71.04984	2.7
71.60097	2.1
74.26283	1.2
79.01848	2.0
79.05483	5.7
81.03417	3.3
81.07054	5.5
83.04974	5.4
83.58341	1.2
84.08136	5.3
85.02903	3.7
89.03934	1.4
89.31346	1.4
91.05493	7.8
93.07037	7.0
94.06560	2.8
95.04963	5.2
95.08617	5.2
97.02858	1.9
97.06528	2.3
98.97583	2.3
99.04461	3.2
105.07031	9.8
107.04942	2.1
107.08585	7.2
109.02897	2.0
109.06493	3.2
109.10137	3.8
110.07105	1.3
111.04420	2.4
111.08085	1.8
112.11193	3.4
112.59167	1.3
117.03418	1.4
117.07008	2.8
119.08566	4.5
120.04495	1.8
121.06496	4.6
121.10138	4.2
122.06051	4.2
123.04423	1.5
123.08069	3.2
127.03913	1.7
129.06979	2.3
129.13881	3.5
131.08569	4.4
133.06503	2.3
133.10106	4.6
135.08066	1.8
135.11699	2.5
136.07632	1.5
137.04684	2.6
137.05910	2.8
137.09660	3.1
138.09207	1.4
143.03336	2.0
143.08588	3.4
145.02867	4.9
145.06497	1.9
145.10126	4.8
147.04362	1.9
147.08099	2.3
149.09616	4.9
151.06253	6.2
151.07414	1.9
152.07059	88.3
153.01814	11.7
155.08505	1.9
156.09418	2.0
157.10150	2.7
159.11703	3.9
161.05945	1.6
161.09686	1.7
161.13278	3.0
163.03920	2.3
163.11206	2.2
166.08640	53.7
169.10191	1.9
171.11716	1.9
173.09581	1.9
173.13280	2.2
175.11342	2.3
177.05484	7.1
177.12729	1.5
182.08130	1.9
182.09552	1.5
187.11304	2.0
194.08121	100.0
195.08342	2.1
197.08130	2.8
203.05339	3.7
210.09152	2.3
212.09169	92.3
221.13315	1.5
227.11803	7.1
240.08986	3.9
241.09755	6.5
242.95964	1.9
255.11285	25.2
283.10690	4.1
283.16699	1.5
284.88010	1.6
287.05511	2.4
294.07574	2.6
301.11868	6.8
301.17886	2.7
319.19235	2.2
329.17389	4.0
333.02463	1.7
347.18539	4.8
361.02267	1.7
365.06406	1.5
365.10309	6.9
365.15326	2.7
365.19788	3.3
365.25601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.05509	13.3
55.93521	29.2
56.94303	7.8
57.03436	19.0
57.07067	2.3
67.05505	24.8
69.03418	3.0
69.07068	10.2
70.02847	3.7
70.03238	3.7
70.95876	15.6
71.92998	6.1
72.93785	39.8
79.05485	18.8
81.03434	3.2
81.07058	27.2
83.08629	8.4
85.06541	5.5
88.96892	7.4
89.94024	2.0
90.94833	27.4
91.05481	19.0
93.07044	20.0
95.04949	4.4
95.08602	22.3
97.06506	1.6
97.10165	3.1
98.03566	1.7
102.94822	3.1
105.07032	29.7
105.93473	2.0
106.26152	1.6
106.97971	1.5
107.08618	16.2
108.79873	1.5
108.95865	8.1
109.06557	2.2
109.10143	10.3
111.08080	2.5
113.09627	14.4
113.96418	2.5
115.05471	2.3
116.96354	5.6
117.07024	10.5
119.08583	17.5
121.10149	7.6
123.08057	2.4
123.11697	3.3
123.94624	1.7
125.09619	3.3
126.98392	2.2
128.06216	4.3
128.88591	1.5
128.96332	5.8
129.06985	12.2
130.97899	5.4
131.08580	19.2
131.98750	2.0
132.95868	2.9
133.10147	12.5
134.97394	5.3
134.98929	3.7
135.11707	3.6
136.95282	3.7
137.09583	2.3
138.98383	4.9
141.07001	4.3
142.07773	4.5
142.97845	2.8
143.08560	20.6
144.95781	8.2
144.99452	4.7
145.10120	17.5
146.97388	11.1
147.08086	1.8
147.11656	7.5
148.98988	6.0
149.13246	5.1
150.96906	3.6
150.98402	3.7
151.02083	2.3
151.11177	2.5
151.97687	3.0
154.97916	3.9
155.08534	17.3
156.09383	2.3
156.99500	2.6
157.10115	25.7
158.10945	2.7
158.97374	4.2
159.01019	2.9
159.11688	21.5
160.98950	3.8
161.13235	4.4
162.01286	6.5
162.96931	9.8
164.98711	1.9
164.99948	8.3
165.03651	4.1
165.97133	3.3
166.97931	7.6
167.08527	3.3
167.98679	4.5
168.09335	2.9
168.99460	4.9
169.10092	15.1
169.53368	1.6
170.10834	1.9
170.97418	5.2
171.00992	2.4
171.11676	9.0
172.98967	7.5
173.13255	8.4
175.00552	2.8
175.11221	1.7
176.98425	2.4
178.97942	4.4
179.01549	4.8
180.99475	2.8
181.03125	1.7
181.10127	6.9
182.00304	2.2
182.10849	3.0
182.95392	1.4
182.97247	2.3
183.00983	2.4
183.11687	17.3
183.98193	5.5
184.98946	6.4
185.02658	1.6
185.13246	12.0
185.99667	2.5
187.00540	5.1
187.14832	6.6
188.98453	2.0
189.03552	2.0
189.16339	2.2
191.00024	2.2
192.99451	6.2
193.10229	2.4
194.10963	1.6
195.00903	2.6
195.11700	9.6
195.98260	1.7
196.12457	3.5
197.13319	10.7
199.00536	10.3
199.14789	7.5
200.98460	5.4
201.02086	5.6
201.03690	1.7
201.16379	3.8
201.99294	2.0
203.00072	1.7
203.05334	1.9
207.01170	1.8
207.11693	3.8
209.02582	2.0
209.13231	16.9
211.14806	40.7
213.01984	2.9
213.16344	3.8
215.17929	3.3
217.01509	2.3
221.13345	4.4
223.00519	1.9
223.14966	8.0
225.02084	2.4
225.16406	9.0
227.03676	5.3
227.14319	2.1
229.05151	2.0
235.14804	4.5
237.02094	3.5
237.16371	12.6
239.17912	9.1
241.19469	2.8
243.03099	2.2
245.04700	26.4
249.16409	11.8
251.17787	7.7
252.18744	8.9
253.19563	12.8
255.03120	5.9
257.04828	5.7
259.06149	2.7
263.05655	3.9
263.17996	4.9
265.19464	6.3
267.06775	4.6
267.17416	3.4
267.20651	1.9
268.06512	1.9
271.06311	6.0
273.04193	47.9
274.04959	9.0
275.05753	41.0
277.05127	1.7
277.19565	8.6
279.08179	3.1
279.20944	2.9
281.09863	2.8
281.22552	4.3
283.20294	2.5
285.07840	7.0
288.02945	6.4
291.19675	5.8
293.22604	15.7
295.06467	3.1
295.20520	3.0
296.05899	4.4
298.07416	5.4
299.05807	3.4
305.22668	3.3
307.24042	2.3
309.22260	2.2
324.04984	2.2
329.12018	7.2
335.13022	2.7
345.11612	3.7
347.13037	97.2
347.27267	40.7
348.13470	3.5
365.14120	93.2
365.24017	3.3
365.28397	100.0
366.14404	1.9
383.15381	4.9
388.15680	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	365.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	0.9
55.05449	0.6
55.93453	5.5
56.94233	1.9
57.03357	0.5
57.07013	0.4
61.02843	0.4
63.80782	0.4
67.05420	2.2
68.61865	0.4
69.03371	0.9
69.07021	0.9
70.93269	0.9
70.93618	0.6
70.95782	4.3
71.92924	1.6
72.93708	10.8
72.94141	0.9
73.94506	0.5
76.03466	0.4
79.05490	3.6
81.03327	1.6
81.06966	1.9
87.66360	0.4
88.96903	2.2
89.93940	0.6
90.08414	0.4
90.94823	6.5
91.05479	2.5
93.06943	1.6
95.04890	1.7
97.02809	0.5
100.96832	0.6
103.05350	0.5
105.07013	2.2
106.97876	0.5
107.08492	1.5
108.83355	0.4
108.95849	2.7
113.96332	1.0
113.97583	0.5
116.96281	1.0
117.06937	0.5
118.94247	0.4
119.08524	1.2
121.10053	0.6
126.98313	0.6
128.96255	1.5
129.06908	0.8
130.97850	0.9
131.08463	0.9
131.97383	0.8
134.97287	1.2
134.98822	0.6
138.98314	1.8
142.97780	1.8
143.08467	0.7
144.95766	0.9
144.99348	1.8
146.97302	1.7
147.03192	0.5
148.98941	2.4
150.96803	1.4
150.98315	0.8
151.01952	1.0
151.97589	0.7
152.99869	0.6
154.97816	1.2
156.99425	1.0
157.10031	0.5
158.97339	0.9
159.11554	0.6
160.98901	1.3
162.96837	1.2
163.00494	0.6
164.99969	2.5
165.03513	0.5
165.97058	1.1
166.97888	2.2
168.99367	1.2
170.97327	1.1
171.00952	0.7
172.98874	1.1
173.99713	0.4
175.00432	0.8
175.01854	0.8
176.98441	0.4
178.97852	1.4
179.01418	1.3
179.98598	0.6
180.99335	1.1
183.00945	1.0
183.98083	1.2
184.98996	2.2
185.02556	0.7
185.04143	0.4
186.01117	1.0
187.00436	1.8
189.03540	1.4
192.99353	1.9
193.03053	1.0
195.01009	1.0
196.98969	1.0
199.00410	1.3
199.02046	0.6
200.02779	1.0
201.01945	1.1
201.03615	0.5
202.83540	0.6
203.05179	1.1
204.99474	0.4
205.03212	0.5
207.00916	1.5
208.98946	0.6
209.02470	1.2
211.00424	1.0
211.04004	0.4
213.01898	0.8
213.03552	1.2
215.03514	0.7
217.03181	0.6
219.00923	0.6
220.98947	0.7
221.02516	0.9
227.03514	2.8
232.05290	0.6
233.02550	0.8
235.00446	1.5
235.04095	1.1
237.01971	0.6
237.05688	0.7
239.00006	0.5
239.03413	0.8
241.06935	0.7
245.04599	1.3
259.06311	1.7
265.06497	0.6
269.09949	1.4
271.06201	1.5
276.41779	0.6
278.05844	2.2
279.08176	1.5
281.09836	1.2
283.06161	0.9
291.06760	1.6
295.07718	0.9
296.06958	2.9
297.07614	0.9
299.10825	1.0
309.07690	1.1
310.04913	2.0
319.08670	0.5
325.08826	0.6
327.10233	1.1
329.11993	1.3
345.11566	2.9
347.13016	100.0
348.13367	4.6
363.12799	0.7
365.10489	1.3
365.14105	23.0
365.22763	2.6
366.14581	0.9
388.15646	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	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	4.9
57.03430	2.0
61.34781	1.7
69.03403	2.0
70.06590	1.8
70.28820	5.9
70.56342	1.4
72.08116	1.9
76.17352	1.3
81.03385	4.1
84.08113	5.0
107.15611	1.2
109.02855	2.9
110.07117	4.2
112.11243	10.0
119.04935	2.3
129.13826	5.0
146.99632	1.4
147.04396	1.8
153.01797	4.9
163.03851	6.4
163.40674	1.4
177.05518	1.9
183.65254	1.4
185.04205	68.7
203.03079	16.4
203.05203	6.8
220.09648	2.3
221.04228	1.8
263.00760	3.0
263.43994	1.4
291.17059	2.1
365.08331	100.0
365.25345	6.3
366.08545	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49699	0.6
69.73466	3.8
78.55991	0.6
82.91843	0.5
100.09205	0.6
112.67822	0.7
171.08478	0.6
173.49988	0.6
185.04192	24.2
203.05240	43.7
322.91470	0.7
365.10513	100.0
366.10910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79561	0.6
63.54708	0.6
69.74644	3.1
69.75060	1.3
107.61830	0.5
144.11694	0.7
154.16945	0.7
185.04193	27.0
203.05254	54.7
227.52576	0.7
272.54892	0.6
304.14169	0.7
365.10529	100.0
366.10962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
50.98986	0.2
51.02363	0.6
55.01868	0.4
55.05508	0.5
56.96561	0.7
57.03419	0.4
62.64980	0.3
67.05485	0.9
67.92844	0.3
69.03416	1.0
69.07019	0.5
69.26354	1.9
69.26765	0.8
71.04991	1.9
78.04707	0.3
79.01848	6.3
79.05476	1.8
79.53059	0.2
81.03397	0.5
81.07041	1.2
83.04936	0.3
83.08582	0.3
84.08112	0.5
85.02890	1.9
89.03902	0.4
91.05491	1.3
92.28638	0.3
93.07044	0.8
95.04956	0.8
95.08600	1.1
97.02870	1.5
97.06524	0.3
103.05456	1.8
105.07034	1.6
107.01303	1.0
107.04942	7.8
107.08566	0.7
109.06520	0.5
109.10140	0.8
109.54096	0.3
112.11211	0.4
115.05433	0.5
117.06995	0.5
119.08572	0.6
120.05708	0.5
121.10120	0.3
123.00755	0.5
123.04408	0.7
124.05190	0.4
125.02327	4.0
129.05444	0.4
131.04938	0.9
131.08582	0.6
133.10085	0.5
135.08046	2.4
137.05930	0.7
143.03380	10.2
143.04507	0.6
143.08604	0.4
145.10141	0.6
147.04468	0.3
152.04710	0.3
153.01808	100.0
154.02151	1.5
163.07520	4.7
167.07021	7.3
177.05452	0.6
183.11603	0.2
185.04120	0.4
186.58987	0.3
187.75069	0.2
194.11600	0.3
195.10124	1.9
199.63045	0.3
203.05296	0.7
285.09970	0.4
307.43289	0.3
365.06445	0.4
365.10107	1.3
365.19147	0.5
365.23459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42060	6.4
55.05493	16.3
56.96566	48.5
59.17577	5.4
59.22238	5.4
67.05508	33.3
69.03423	11.0
69.07077	13.7
70.23262	24.2
70.23679	11.0
79.05473	30.3
81.03398	10.5
81.07044	38.2
83.08610	10.0
84.08157	6.8
85.02880	9.5
91.05476	22.1
93.07037	32.6
95.04947	13.9
95.08585	13.8
99.62990	6.4
105.07026	17.6
107.04942	11.7
107.08574	18.0
109.10162	39.9
111.04461	6.1
119.08585	27.1
121.10143	93.3
123.11706	7.2
131.08559	12.8
133.10130	17.8
135.08052	9.1
137.09595	27.9
144.10818	7.0
149.09618	71.5
154.78995	5.8
161.09631	6.9
161.13161	7.0
185.04822	5.8
189.04312	9.4
189.11247	6.8
198.22810	6.2
199.06499	6.5
207.05432	7.4
213.07986	18.2
217.07588	7.1
223.13200	9.3
229.07498	17.6
231.08957	43.5
236.65749	6.1
241.07439	20.7
243.08946	8.9
247.08594	7.6
259.08539	20.1
261.10132	14.2
267.09006	10.7
269.10611	8.2
271.08508	13.5
287.20013	19.7
291.19397	22.2
301.09512	9.5
315.19556	100.0
333.20438	19.7
364.16666	7.3
364.33295	41.8
365.10724	9.8
365.16406	17.2
365.23114	11.1
383.17197	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	365.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79469	1.2
58.06593	8.5
59.78832	1.3
68.99776	2.2
69.03385	1.5
69.88876	4.4
69.89276	3.4
70.06570	2.0
70.82539	1.5
72.08118	4.8
73.33560	1.5
75.46383	1.3
77.03931	1.5
79.01852	1.3
79.05492	1.5
81.03368	1.7
84.08134	32.5
85.02879	1.5
85.45627	1.5
89.03903	4.0
95.75967	1.4
100.56122	1.2
103.05483	1.5
105.03386	4.2
106.04136	1.6
107.04971	1.7
109.02872	1.8
112.11226	82.5
117.03374	6.2
125.02304	1.9
127.03901	2.5
129.13853	48.8
131.04906	2.4
133.02815	7.1
135.04378	12.0
137.02307	1.5
141.51152	1.3
145.02853	10.6
147.04405	3.8
153.01793	12.6
155.03369	2.0
161.02344	15.4
162.03056	5.5
163.03879	53.9
165.01801	2.7
177.01807	3.9
177.05405	4.8
179.03273	1.9
183.02838	3.8
185.04347	2.1
187.03819	3.5
189.01804	42.0
190.02559	6.4
191.03366	8.2
193.01347	1.4
195.02892	1.8
201.01770	1.7
203.03461	2.0
203.05264	1.7
203.22325	3.9
205.01289	5.1
205.05106	1.8
207.02901	2.0
215.03389	5.3
217.01291	63.5
218.02078	30.1
219.02777	6.1
220.09634	22.3
221.04515	8.9
229.01347	1.8
231.02733	3.6
233.04431	2.6
234.01550	11.9
235.02283	10.5
241.96260	1.6
243.02782	3.0
245.00786	36.4
246.01662	1.8
247.02400	3.2
249.03914	75.1
250.04227	1.8
257.00793	3.0
259.02292	1.9
261.03943	5.7
263.01889	6.0
271.02402	3.7
273.00241	58.7
274.01004	29.4
275.01718	1.8
277.03378	18.0
287.01819	3.6
289.03345	19.6
291.01352	13.0
291.04611	2.0
291.16928	17.3
300.99725	100.0
302.00073	3.4
305.02878	15.9
315.01343	4.1
319.00836	12.8
333.02353	76.5
334.02823	3.1
348.22891	2.4
351.03372	5.4
365.04730	1.8
365.09897	5.0
365.25409	63.3
365.29990	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	363.31
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35138	3.5
55.01857	9.1
55.05495	12.6
56.96551	9.4
57.03424	5.0
67.05484	16.7
69.03407	12.3
69.07062	28.5
71.04971	6.2
71.41516	7.4
79.01842	9.5
79.05486	17.4
81.03392	8.7
81.07039	52.4
83.08585	5.0
84.08144	5.8
85.02892	11.7
85.06532	6.7
91.05458	15.8
93.07013	26.5
93.99233	3.6
95.04961	14.1
95.08586	31.9
97.02813	4.4
97.06523	9.1
98.97567	4.2
99.08009	4.6
103.05447	12.1
105.07012	96.3
105.07671	7.0
107.04914	5.5
107.08600	23.3
107.59816	3.9
109.06508	6.9
109.10146	20.4
111.08076	8.0
111.11716	6.7
112.11232	7.0
115.05448	14.8
116.98579	4.8
119.04916	4.0
119.08563	13.1
121.06480	6.5
121.10120	14.5
123.08081	6.4
123.11707	16.3
127.03878	6.7
131.08522	10.2
133.06471	62.7
133.10101	11.7
135.11676	7.0
137.05933	8.5
137.13261	8.0
143.03378	5.0
143.06079	5.7
143.08551	4.3
145.10089	10.7
147.04478	4.8
147.11636	6.8
149.13240	15.9
151.07550	5.5
153.01814	70.6
153.02980	8.0
153.12659	4.6
154.02235	4.5
155.08414	4.0
157.10130	7.5
159.11682	9.1
161.05959	57.4
162.06332	6.1
165.09105	4.5
167.06976	16.4
167.14282	6.3
175.11032	3.7
193.08571	100.0
193.10262	6.3
194.09163	7.8
291.26859	4.8
363.21698	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	364.1361
Annotation	Ser Glu Glu
Peak:m/z	Relative Intensity
56.96558	0.9
70.98251	1.6
70.98621	2.0
74.45497	0.9
83.70505	1.1
90.05534	1.0
109.02876	0.9
161.57808	1.0
185.04170	2.1
202.08331	5.2
202.10321	1.0
203.05324	1.8
308.48477	0.9
334.32452	0.8
364.13602	100.0
365.10233	3.0
365.14081	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	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01865	27.1
57.03420	4.6
57.07064	6.4
59.04993	4.0
61.02906	2.5
67.05486	3.8
69.03423	39.8
69.07062	8.1
70.02941	4.3
71.04968	2.7
71.31831	2.4
72.04507	27.0
73.02910	6.9
81.03414	9.4
83.04951	2.6
84.08118	1.4
85.02895	20.3
85.06523	9.0
86.09699	5.2
87.08107	3.8
90.05546	85.6
95.04960	10.4
96.08118	3.1
97.02883	13.4
98.02413	11.6
99.04441	4.5
100.03948	6.0
103.07568	6.8
109.02872	25.7
113.06033	7.3
116.03441	30.3
116.98572	1.8
124.07569	20.2
127.03915	31.8
130.08678	1.7
131.07036	3.3
139.03900	10.3
142.08603	15.2
145.04939	4.0
148.09642	1.5
160.09694	6.6
166.08652	3.4
174.11279	9.5
181.04965	4.2
184.09686	33.6
184.11330	2.2
185.04222	9.5
187.05832	1.5
199.06052	9.7
202.10728	100.0
203.05252	13.4
203.11200	1.7
205.07141	2.8
216.08760	2.5
217.07042	36.2
220.11786	57.6
234.09721	30.0
237.02788	2.3
262.12891	2.2
323.10025	2.0
328.13889	7.3
346.14908	13.6
364.16046	37.4
365.10657	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	361.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.05503	26.3
56.80573	2.5
56.96558	8.3
57.07055	9.7
59.04998	3.1
65.02142	2.8
67.05496	29.6
67.84246	3.7
69.03430	4.1
69.07059	39.3
70.48592	5.4
71.04974	8.7
71.08621	6.6
72.18946	2.9
74.02431	3.1
77.91698	2.9
79.05482	24.4
80.05012	6.2
81.07048	100.0
83.04951	5.4
83.08614	19.8
84.08134	6.2
85.02889	8.3
85.06533	17.4
91.05463	23.5
93.07039	42.9
95.04949	13.1
95.08597	71.7
95.09159	5.4
96.08920	3.4
97.02892	5.0
97.06503	6.9
97.10133	4.1
98.21370	3.6
98.97571	6.2
99.04438	3.4
99.08091	13.8
103.05453	4.2
105.07022	34.9
107.04949	9.4
107.08583	28.8
109.06509	9.9
109.10139	33.6
111.04459	3.7
111.11701	5.7
112.11253	10.0
116.98635	3.3
117.06987	4.5
119.04946	3.7
119.08581	22.8
121.06490	8.1
121.10146	32.9
123.11672	22.0
129.07013	6.4
129.13896	8.3
131.08548	8.4
133.06485	4.9
133.10094	19.4
134.04471	6.0
134.06000	12.0
135.07988	4.7
135.11667	18.8
137.05948	9.3
137.13239	9.2
139.11133	5.5
145.10141	10.6
147.11661	15.5
149.13235	19.1
151.07550	6.9
151.11127	4.4
152.07028	17.8
153.01828	5.3
153.05447	3.8
153.12762	5.0
157.06497	4.9
157.10039	3.5
159.11708	10.1
161.05908	5.2
161.09671	3.7
161.13281	10.2
163.07516	4.6
163.14809	6.3
165.12715	5.4
167.07126	15.8
167.08379	3.2
169.10139	3.1
170.33664	2.8
174.06804	3.6
175.14828	5.3
177.16414	8.5
181.08594	17.9
189.09103	16.3
195.07980	4.6
201.16367	3.7
207.10149	3.3
210.14856	10.2
215.17978	4.0
234.11359	3.2
234.98830	4.5
253.08461	3.8
283.09790	4.6
285.11069	3.9
286.11688	4.0
289.25189	7.9
307.26276	6.3
361.16394	3.9
361.20572	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	362.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.05035	0.5
58.06596	11.4
69.60915	1.5
70.06590	3.2
71.47109	0.2
72.08150	7.4
73.55246	0.2
74.38375	0.2
79.05494	0.2
84.08136	59.1
85.08494	0.6
89.03923	0.4
91.05480	1.2
98.03860	0.3
98.09686	3.6
98.20715	0.3
110.09663	0.6
112.11234	100.0
113.11550	1.2
117.03387	1.8
119.04919	1.1
129.13866	56.2
130.12267	1.7
130.14240	0.5
137.05969	1.8
145.02832	6.1
147.04387	1.6
149.06003	0.7
151.07594	0.2
156.02673	4.7
157.02916	0.2
166.39809	0.2
175.03899	1.6
177.05457	12.2
178.05786	0.3
179.07011	0.2
183.25589	0.2
186.19560	0.2
189.10428	0.2
192.10234	0.8
194.12207	0.2
204.10667	0.2
207.06573	1.3
218.10500	0.3
229.04681	2.3
233.12837	2.0
234.11232	26.7
235.11475	0.3
247.05809	0.5
259.11246	0.3
263.17691	0.5
272.08890	0.4
346.08984	0.3
362.08420	4.8
362.24335	11.0
363.08820	0.3
363.15921	0.3
363.24487	0.4
382.71643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
51.72006	0.3
53.03952	0.8
55.01867	3.1
56.96556	0.5
57.01648	0.3
57.09311	0.3
66.04723	0.5
67.05506	0.5
69.03423	0.8
69.07076	0.6
70.66301	0.4
70.66677	0.9
77.03924	0.3
78.04704	0.6
79.01855	4.0
79.05492	8.6
81.03407	0.3
81.07040	1.0
81.24239	0.3
85.02895	0.5
89.03916	0.4
90.04678	0.7
91.05470	3.5
93.07056	0.9
95.04969	2.3
95.08617	0.9
97.02882	0.9
99.56921	0.3
102.04694	0.3
103.05467	10.1
104.06281	2.8
105.07027	73.2
106.07372	1.2
107.01311	0.6
107.04969	0.7
107.08595	1.0
109.02847	0.3
109.10156	0.8
115.05449	15.3
116.98570	0.3
117.06993	0.4
118.04150	6.0
119.08572	0.9
121.10124	0.5
123.00728	0.3
123.04440	0.4
125.02347	3.0
131.04927	3.6
131.08539	0.3
132.05705	3.1
133.06487	57.9
133.10146	0.8
134.06807	0.9
137.05974	0.4
139.80644	0.3
143.03397	7.8
143.04881	1.3
143.05997	4.2
145.10123	0.9
147.04399	0.4
147.11668	0.5
149.05946	1.3
153.01823	59.0
153.02829	2.4
154.02150	1.2
157.10106	0.6
159.11703	0.7
160.05193	1.4
160.35066	0.3
161.05975	65.1
162.06371	0.8
167.07027	2.3
171.02904	0.3
171.11710	0.4
173.13290	0.4
175.51633	0.3
178.06224	2.5
193.08601	100.0
194.08884	2.0
201.16418	0.7
221.13069	0.3
230.37502	0.3
262.04340	0.3
263.34467	0.3
310.09665	0.6
363.10757	3.3
363.21680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43997	2.9
53.03931	6.1
53.04158	2.5
55.01865	3.8
55.05506	16.0
56.96544	9.6
57.03429	5.0
57.07064	5.1
64.78589	2.2
65.03925	3.7
67.05496	27.9
69.03418	6.7
69.07055	33.7
69.78773	2.4
70.78027	4.1
70.78371	5.3
71.04985	4.6
71.08622	4.4
72.08121	3.3
73.32648	2.4
78.04710	3.2
79.05478	37.7
81.03400	3.1
81.07040	73.3
83.04967	7.0
83.08610	9.1
84.08133	5.8
84.63416	2.7
84.96000	2.4
85.02870	7.5
85.06526	11.9
85.45922	2.3
91.05467	42.1
93.07030	45.7
95.04961	22.3
95.08598	55.6
97.02829	2.7
97.06496	6.0
97.10144	5.9
98.97565	3.8
99.04412	3.1
99.08031	6.0
103.05458	14.0
105.07017	30.7
107.04949	45.4
107.08588	30.0
109.06496	9.9
109.10143	30.6
111.08029	4.7
111.11700	6.5
112.11225	9.9
115.05446	5.5
116.98617	3.1
117.03328	2.5
117.07025	11.8
119.04912	8.2
119.08575	19.1
120.05730	4.3
121.06474	25.9
121.10134	23.4
123.04401	9.0
123.08040	7.3
123.11697	20.6
124.05197	5.4
125.05962	10.3
125.09625	5.0
127.03873	3.3
127.11168	2.7
128.06206	9.2
129.06989	31.2
129.13838	5.8
131.04933	12.3
131.08566	18.7
133.02829	6.6
133.06480	6.2
133.10085	13.6
135.04431	4.4
135.08046	13.3
135.11673	15.5
137.05956	21.6
137.09526	3.2
137.13196	7.8
139.11203	3.6
141.06990	3.3
143.08563	4.1
145.06445	9.2
145.10107	10.2
146.03596	3.2
146.07098	2.4
146.99632	2.7
147.04379	8.6
147.11642	17.8
148.05275	5.9
149.01169	4.2
149.05940	9.9
149.09610	6.6
149.13223	10.2
151.03957	3.9
151.07530	22.7
152.04735	5.9
152.06140	4.6
153.01907	2.6
153.05444	19.0
153.06764	4.5
157.06471	25.5
158.07230	3.2
159.08029	4.0
159.11670	8.0
161.01205	3.0
161.05974	37.7
161.09586	14.7
161.13205	6.9
162.06363	3.6
163.07553	27.9
163.14832	6.2
165.05667	3.5
165.06943	13.8
165.09097	13.9
166.06210	11.4
167.07019	82.9
167.08400	5.0
168.07263	4.6
171.07945	3.1
174.06729	14.4
175.07452	9.7
175.14844	3.1
177.05467	5.3
177.09044	13.8
177.16275	5.8
178.07625	2.7
179.07050	5.9
179.08521	6.0
179.58754	2.7
181.05051	4.2
181.06535	9.2
181.08575	100.0
182.07240	10.3
182.08847	6.6
183.07980	4.3
187.07501	3.9
189.09077	83.6
190.09393	6.7
191.08583	5.4
191.10530	3.1
193.06424	4.5
193.08650	2.9
194.07242	7.2
195.08023	17.0
195.17407	3.7
197.05954	3.9
197.09659	13.0
207.08206	4.7
207.10138	15.1
208.08733	3.7
208.10455	3.3
209.05876	3.0
209.09650	3.4
210.06776	9.6
211.07399	7.9
212.08344	3.5
219.08044	4.2
221.05945	3.8
221.09628	3.7
222.06691	5.5
223.07446	10.8
223.10982	3.8
224.08365	3.4
225.05640	3.5
225.09108	17.2
226.06093	3.8
227.07057	7.6
234.11192	3.7
235.07503	4.2
236.08266	3.7
237.08971	3.7
238.06125	3.4
239.06879	6.1
239.10681	5.4
240.07771	5.2
241.08508	7.8
250.09708	3.4
251.07127	4.5
251.10619	7.5
253.08537	15.7
254.08916	5.3
255.06596	3.7
255.09743	5.4
257.07712	2.8
257.11658	19.3
258.11346	2.9
265.08582	2.9
267.10074	5.5
268.07306	3.8
270.08670	4.7
271.13232	3.4
279.10144	5.4
283.09552	14.6
283.13199	11.3
284.10068	3.6
285.11191	34.1
286.11520	6.1
288.12378	3.6
289.25143	3.0
296.10193	3.0
297.11151	4.8
299.09003	4.6
299.12631	3.9
300.09360	3.6
302.11380	4.4
307.26175	5.0
311.12564	8.4
313.10855	3.3
314.10986	3.1
315.11780	23.6
315.15079	4.2
316.12540	2.9
317.13663	23.6
318.07706	3.9
329.13165	9.5
334.11136	4.5
343.14932	15.4
344.09369	6.1
361.16025	22.4
361.23621	3.0
362.10504	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	361.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12310	3.5
65.03934	6.8
68.27217	4.3
69.95835	9.2
69.96228	10.5
76.20642	3.7
79.05481	11.1
84.08124	5.1
86.09664	4.3
86.82535	3.6
91.05461	46.2
93.07033	12.4
93.65882	4.8
94.06550	5.8
95.04942	9.6
98.20747	5.0
103.05447	22.5
105.07000	14.2
107.04935	49.2
107.43781	4.4
110.09668	6.6
115.05433	6.3
117.07016	5.7
118.04159	5.0
119.04943	28.8
121.06481	16.4
122.03628	9.0
123.04420	5.3
123.08007	5.5
128.06200	9.3
129.07001	21.5
131.04886	15.3
131.08545	10.6
133.06441	8.5
135.04410	4.9
135.08011	8.6
137.04991	7.5
137.05962	100.0
138.09117	6.7
143.04857	4.1
145.06508	6.3
146.05983	12.1
146.07146	5.6
147.04391	33.9
147.08115	5.3
148.03873	10.7
149.05965	20.4
151.03915	4.7
151.07523	59.1
153.05394	12.8
157.06447	19.5
161.05963	77.3
161.09598	17.6
163.07538	46.7
165.05574	5.3
165.06931	7.9
165.09126	11.1
166.04897	4.5
166.06227	7.3
166.08600	19.6
167.07050	47.2
167.08411	7.4
168.07123	4.2
174.06743	13.3
175.07477	14.5
177.05478	6.3
177.09042	10.0
179.07011	7.7
180.07855	9.1
181.08583	80.7
181.10136	4.1
181.12111	4.4
182.07162	6.8
187.03835	4.5
189.09090	85.5
190.04990	13.5
191.10727	4.8
193.06567	8.9
193.08383	4.6
193.10031	5.7
194.07162	6.2
195.08002	13.0
195.10049	5.1
197.09535	7.8
207.08333	8.0
207.10098	38.3
208.08768	5.1
210.06593	5.8
211.07465	3.8
219.07985	5.4
223.07539	12.3
224.08284	6.4
225.09041	16.2
226.09705	6.0
226.15210	4.4
227.06950	9.0
227.10686	13.4
235.07495	5.1
238.06161	4.9
240.07678	4.8
253.08600	19.1
253.12164	6.1
254.09163	5.0
255.10074	4.8
257.11728	11.7
261.03867	8.8
263.26764	4.7
283.09903	7.4
285.11282	24.9
286.11615	5.9
287.12671	20.0
297.11185	6.3
299.12756	8.4
301.11752	10.7
302.11288	5.9
311.12805	7.7
313.14108	8.0
315.12228	12.1
317.13824	13.4
328.12445	10.3
330.14282	5.0
331.14883	12.4
333.07312	6.7
343.15085	18.7
361.07144	35.4
361.18179	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33529	1.6
53.03938	2.3
55.01858	3.3
55.05495	2.4
56.96550	6.6
57.03410	2.4
65.03947	2.1
67.05492	3.2
69.03401	4.0
69.07046	6.1
69.57348	4.9
69.57780	8.3
70.06561	2.2
77.03883	1.7
79.05486	16.8
81.03369	2.1
81.07057	5.7
83.04967	3.1
84.08131	1.9
85.02896	4.5
91.04955	2.7
91.05470	25.9
93.07032	15.3
94.56117	1.9
95.04939	12.0
95.08594	2.6
97.02870	3.4
103.05454	15.8
105.03343	2.1
105.07018	9.4
106.04237	1.9
107.04944	32.9
107.08604	2.4
109.06532	2.8
111.04427	3.0
115.05439	3.0
116.98605	2.2
117.06990	4.3
119.04911	6.0
120.05729	3.6
121.06495	21.7
121.10127	2.6
123.04401	7.2
123.08099	2.1
123.37132	1.8
124.05193	5.1
125.05977	2.2
128.06236	9.0
129.06992	26.7
131.04887	13.2
131.08572	11.6
133.02856	3.1
133.06442	4.5
135.04440	3.1
135.08018	7.3
137.05984	14.1
139.07536	3.3
140.04761	2.2
143.04924	2.5
145.05217	2.6
145.06459	7.9
146.07248	2.9
147.04434	8.6
147.07974	2.6
148.05182	6.8
149.00296	2.0
149.05936	6.0
149.09604	3.1
151.03922	2.9
151.07556	18.7
152.04663	3.6
152.06140	2.5
153.01826	9.9
153.05492	14.7
153.06682	3.2
155.07025	3.0
157.06477	19.3
158.07182	3.6
159.08003	2.6
161.05954	39.4
161.09578	10.2
162.06480	2.7
163.07552	23.3
164.07837	1.8
165.05527	4.3
165.06978	9.8
165.09116	12.1
166.06296	10.7
166.07579	3.4
167.07042	70.8
167.08543	5.2
169.10083	3.2
171.08020	2.6
174.06767	13.0
175.07481	7.5
177.05482	2.3
177.06955	3.7
177.09074	11.1
179.07027	6.2
179.08528	4.5
181.08583	100.0
182.07227	8.6
182.08820	3.9
183.08124	2.4
187.07545	2.0
187.11171	1.8
189.09091	70.9
190.09479	3.1
190.11145	3.8
191.08545	4.4
191.10567	2.8
193.06558	4.0
194.07268	4.3
195.08057	10.5
196.08672	1.9
197.09595	7.1
199.11603	8.0
205.06363	2.0
207.07996	5.0
207.10110	13.0
208.08838	3.8
209.05847	3.4
210.06757	4.8
211.07549	4.0
212.08258	3.7
218.07242	2.0
219.07971	6.0
220.08595	1.6
221.05943	5.5
221.09619	2.4
222.06619	4.0
223.07591	9.2
223.11183	4.7
224.08255	3.8
225.05508	4.2
225.09134	18.1
227.07072	7.5
229.12424	2.6
235.07506	4.0
236.04382	1.9
236.08377	5.8
237.09151	4.4
238.06303	3.0
239.07011	6.6
239.10599	3.2
239.78505	1.8
240.07742	5.8
241.08501	4.8
247.07558	4.1
251.06943	2.5
251.10707	4.6
253.08633	14.4
254.09099	3.2
255.06660	3.1
255.10138	5.2
256.07388	2.1
256.10803	1.9
257.11728	16.5
264.07883	2.7
267.10233	3.7
268.07422	2.4
269.08014	3.2
270.08740	5.3
271.13617	11.3
279.10074	4.7
280.14307	38.9
280.64481	7.5
281.08017	3.2
283.09610	10.0
283.12997	11.3
285.08035	3.5
285.11185	31.3
286.11682	3.4
297.11133	2.5
299.09146	3.4
299.12692	4.3
301.14594	6.6
301.64969	2.9
302.11404	3.8
303.04990	3.5
311.12756	7.1
315.12250	16.2
317.13797	18.7
328.13263	2.3
329.13821	3.7
331.15259	3.4
343.15427	9.0
361.16577	19.9
361.23489	2.3
377.01822	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	361.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82094	1.8
69.03394	2.9
70.06572	3.6
70.93567	4.5
70.93936	3.7
73.92197	2.2
85.02854	2.0
86.09694	11.6
86.42389	1.9
91.05435	1.9
97.02883	2.3
99.68696	2.3
140.63345	2.0
147.04422	3.8
153.01804	7.2
157.13281	3.5
165.05544	3.9
165.06970	7.6
169.06488	2.8
177.08629	2.4
178.07787	3.3
179.08519	18.9
183.08023	30.1
189.06963	3.5
193.06438	3.9
194.07275	3.8
197.05930	2.4
198.70842	2.3
199.10660	3.7
207.08014	60.2
209.09602	5.5
210.09117	11.5
211.07526	19.1
217.06538	4.0
219.08020	2.4
221.05984	7.8
223.07613	3.3
234.09038	3.7
235.07504	100.0
237.09026	12.7
238.08620	5.1
239.07001	63.9
252.10152	62.3
253.08327	2.9
262.08878	2.3
263.06860	10.0
267.06509	2.4
280.09546	13.9
281.08047	55.4
284.09161	5.1
297.12314	38.1
298.10681	64.7
315.13318	16.0
326.10196	12.6
343.12848	45.2
344.11087	5.1
361.09625	4.8
361.14069	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	361.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01865	2.7
55.05492	4.7
56.96556	6.6
65.03925	2.2
67.05482	3.5
69.03420	4.1
69.07038	6.0
71.59522	2.8
79.05488	17.3
81.03386	2.0
81.07027	8.0
83.04964	3.4
83.08632	2.0
85.02906	3.7
91.05460	29.7
93.07015	16.0
95.04941	13.0
95.08602	2.6
95.56636	1.9
97.02872	4.0
98.97588	2.4
103.05447	13.0
105.07018	16.9
107.04942	29.1
109.06483	5.2
109.10145	2.6
111.04440	4.2
111.08000	2.2
115.05449	7.0
116.98608	2.4
117.06992	5.2
118.36639	2.2
119.04961	10.7
119.08587	4.5
120.05745	2.7
121.06505	23.3
121.10162	3.0
123.04404	7.0
123.74525	1.9
124.05215	5.8
125.05962	2.6
127.45938	1.9
128.05388	2.1
128.06187	11.1
129.06993	32.3
131.04918	8.7
131.08563	12.0
133.02800	3.4
133.06500	4.8
133.10112	4.0
135.08018	6.8
137.05965	19.8
141.06966	3.6
143.04875	2.8
144.05669	3.1
145.05075	2.9
145.06427	5.5
146.07220	3.6
147.04393	9.6
147.08009	3.0
148.05177	3.9
149.05907	9.4
151.03812	4.4
151.07539	18.9
152.04724	4.6
152.06134	2.7
153.01825	15.4
153.05460	15.2
153.06882	2.9
157.06454	20.7
158.07346	2.2
159.08043	3.6
161.05963	42.0
161.09581	10.2
162.06508	2.6
163.07504	17.5
165.05627	3.1
165.06966	11.6
165.09087	11.5
166.06212	8.0
166.07655	3.6
167.07030	67.5
167.08530	4.7
171.08099	2.9
173.06000	3.0
174.06755	14.5
175.07501	6.5
177.05493	2.2
177.09126	9.1
178.07700	3.7
179.07091	2.8
179.08508	3.7
180.09265	2.5
181.05054	3.6
181.06422	4.7
181.06764	4.6
181.08572	100.0
182.07214	5.2
187.07524	2.3
189.09079	85.8
190.09473	2.5
190.11147	3.2
191.08620	3.7
191.10635	2.1
193.06450	4.0
194.07138	4.6
195.08067	13.5
195.09694	2.3
197.05942	2.4
197.09596	7.7
199.07655	2.2
199.11601	5.3
199.61877	2.4
207.08035	5.1
207.10136	15.2
208.08791	5.2
208.12288	2.1
210.06744	7.7
211.07513	6.8
213.09148	2.2
218.07239	2.3
219.08043	8.1
221.05923	6.2
222.06763	3.1
223.07506	8.5
223.10985	2.2
224.08295	4.0
225.09082	21.7
227.06970	6.4
235.07555	4.6
236.08224	4.3
237.09157	3.6
239.06960	6.3
239.10793	2.8
240.07780	5.5
241.08572	2.6
242.09402	4.2
247.07555	3.6
251.07048	4.9
251.10637	8.0
253.08606	15.8
254.09276	2.4
255.06531	5.0
255.10100	8.7
257.11707	17.9
267.10114	3.0
268.07312	2.5
268.10736	2.2
269.08032	2.3
270.08875	2.5
271.13647	12.5
271.63821	2.3
279.10172	7.2
280.14316	41.1
280.64423	10.2
282.08847	2.8
283.10092	10.2
283.12988	10.6
285.07852	2.1
285.11133	34.9
296.10284	2.8
297.11194	2.7
299.09320	2.6
299.12665	2.3
301.14767	3.4
302.11404	2.9
303.04880	3.8
305.14029	2.2
311.12735	7.1
315.12183	21.5
317.13840	19.2
328.13092	2.4
329.13681	3.2
331.15027	3.0
342.92047	2.0
343.15140	10.2
361.16571	25.6
377.01663	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	360.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24347	5.2
61.01146	92.2
69.03412	10.9
71.04975	23.5
71.58926	6.9
84.08100	6.0
84.68519	4.7
85.02897	14.0
91.02139	5.6
95.05071	5.6
97.02847	6.1
98.97516	7.0
117.03710	100.0
127.03862	9.9
135.04721	66.7
145.03128	13.1
147.04370	8.0
153.01807	20.2
154.02161	8.6
159.02843	6.1
163.04210	45.1
177.05495	5.2
181.05266	44.3
196.38617	4.9
245.55931	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	360.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.9
57.03417	13.2
62.23887	3.8
69.03419	40.3
70.64555	9.9
73.02899	5.4
81.03387	9.2
85.02889	100.0
97.02893	37.2
98.20799	4.7
99.04440	6.5
101.02344	6.5
109.02829	6.6
112.86326	4.7
127.03900	76.0
145.04929	72.8
149.26190	4.5
163.05963	20.6
180.08676	5.1
183.39336	4.2
199.02174	6.5
215.55057	4.5
255.88803	5.2
361.07391	15.9
374.55258	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	42.7
56.96558	9.9
66.00388	7.8
67.05499	70.1
69.07060	43.4
71.04988	79.2
76.45174	7.4
79.05478	86.5
81.07041	39.4
83.08614	22.4
91.05470	53.8
93.07043	71.3
95.04976	11.6
95.08582	39.4
95.75471	7.3
97.06528	17.0
97.10162	24.6
98.97587	10.1
105.07043	25.2
107.08572	51.7
109.10139	55.2
115.42844	10.5
119.08598	22.0
121.10133	82.7
125.09604	18.8
133.10101	17.6
153.12741	45.9
173.11731	100.0
189.11221	20.2
275.20062	45.6
300.20349	9.7
319.60645	9.1
327.71249	8.1
343.90674	9.6
345.63000	8.5
360.29016	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.4
59.05001	3.5
67.05495	29.5
69.07064	6.6
71.04979	5.4
79.05482	11.9
81.07028	14.7
83.08587	5.8
91.05470	7.9
93.07035	14.6
95.08591	8.1
97.06517	3.8
97.10162	7.1
98.21497	8.3
105.07023	9.5
107.08559	16.0
109.10137	32.8
111.08136	3.9
118.06547	5.6
119.08553	9.6
121.10097	6.6
125.09592	7.5
146.09619	4.0
147.11679	3.9
153.12717	4.3
155.10712	4.1
173.11722	49.7
189.11185	5.6
202.15985	3.7
243.65494	3.2
272.20093	22.8
275.20059	10.4
290.21243	6.7
360.28949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63982	7.0
55.05503	26.3
56.96550	13.6
57.07070	13.7
59.12431	6.4
67.05503	42.3
68.59400	6.8
69.03425	14.9
69.07056	62.2
69.89510	5.7
71.04977	13.0
71.59647	8.1
73.02924	8.1
79.05486	17.4
81.03400	8.0
81.07057	76.9
83.04942	7.4
83.08615	16.4
85.02898	18.6
85.06517	7.2
88.03986	7.8
91.05442	31.0
93.07047	55.1
95.04972	13.1
95.08614	56.5
97.06540	8.5
97.10162	7.8
98.12442	6.7
98.97565	8.7
99.30787	5.2
103.05457	7.6
105.07024	27.8
107.04968	8.8
107.08588	35.1
109.06519	15.8
109.10145	49.2
109.54184	5.9
110.03596	8.5
111.04390	9.9
111.08056	8.9
111.11711	15.8
116.98610	6.2
117.03439	5.6
117.07014	9.1
119.08601	17.8
121.02895	14.2
121.10129	43.0
123.11679	18.8
125.05994	9.6
125.09664	9.8
127.11211	12.0
131.08568	11.1
133.10133	18.8
134.04510	13.9
135.08063	6.8
135.11700	25.7
137.05948	13.5
137.09557	7.2
137.13235	6.0
139.11142	13.7
145.02869	15.3
145.10135	6.9
147.11646	10.5
149.09639	10.8
149.13272	11.9
151.07452	6.4
153.01834	21.1
153.12752	7.5
155.10606	7.0
157.10121	8.4
159.08075	8.2
159.11707	9.9
161.09659	10.9
161.13167	10.4
165.07027	13.4
167.07071	9.8
173.13223	7.0
174.83331	6.5
177.05498	17.9
178.07883	8.7
181.04950	13.8
181.06461	15.5
181.12286	8.3
193.03239	6.0
195.08035	15.1
207.17352	7.5
209.06006	10.0
210.06760	9.5
211.07524	8.9
221.09665	15.6
223.07538	16.6
227.07133	8.4
231.17653	6.3
237.09111	10.5
239.07091	8.9
240.07799	16.5
249.09018	7.5
253.08583	42.0
253.12234	11.2
255.06474	9.6
257.08020	9.9
267.10220	12.8
268.07208	8.3
269.08066	15.6
281.08029	10.6
281.11661	12.9
283.09671	19.5
295.09726	8.6
299.12643	10.2
300.09979	22.1
305.24838	15.4
309.11151	8.3
312.24844	7.8
313.10696	58.3
313.14352	38.5
327.12308	60.4
328.12698	7.3
331.15411	18.2
341.13776	29.7
359.14886	100.0
359.20370	99.0
359.27200	7.0
360.15079	14.8
360.20844	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	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61316	0.5
53.03935	0.6
56.00107	0.6
57.03413	0.5
61.02915	0.8
65.03928	0.8
69.03407	1.0
69.93290	3.2
70.06557	1.0
79.58356	0.6
84.08138	0.9
85.02902	3.0
86.09702	1.0
91.05477	0.6
93.03415	0.6
93.46180	0.6
97.02876	1.3
105.06996	0.6
105.60435	0.6
107.08570	0.5
109.02827	0.5
112.11234	1.0
117.03332	0.7
118.97411	0.5
119.04881	0.7
121.02842	3.3
127.03859	1.0
130.06586	0.6
133.02834	2.8
135.04375	2.1
139.31879	0.5
145.02780	1.0
149.02325	100.0
150.02702	1.0
153.01816	1.4
160.53294	0.5
163.03886	66.8
164.04300	0.6
167.03407	2.0
170.04131	0.5
177.05466	2.3
181.04932	28.1
190.04935	1.0
197.11736	1.0
198.12047	1.9
206.04445	0.7
297.03491	0.6
316.61972	0.6
343.04437	1.4
360.07245	1.3
360.16583	0.8
361.05606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48848	3.8
55.01855	6.0
55.05509	20.3
56.96563	25.2
57.03429	8.2
57.07074	5.7
60.55033	4.1
65.03932	12.6
65.87393	4.1
67.05494	24.3
69.03419	13.8
69.07066	34.2
70.65111	4.2
70.75330	12.5
70.75677	4.6
71.05001	7.6
78.22327	3.7
79.05482	19.2
81.03423	6.4
81.07038	46.1
83.04955	9.5
83.08591	10.0
84.08128	5.3
85.02911	6.5
88.03951	4.7
91.05466	29.9
93.07040	33.6
95.04964	15.8
95.08604	36.1
97.06530	4.6
105.03413	4.5
105.07044	26.6
105.07641	4.5
107.04949	24.3
107.08577	27.3
109.06522	11.9
109.10157	34.0
110.03671	9.1
111.04440	9.7
112.11264	6.4
117.06993	5.7
119.04928	10.3
119.08566	9.9
121.02843	13.8
121.06529	11.6
121.10128	24.3
123.11683	7.6
125.05972	16.7
127.00686	6.1
127.11206	5.4
131.04941	8.3
131.08504	6.2
133.02910	6.1
133.06483	9.6
133.10144	6.8
134.79167	4.3
135.04378	5.7
135.11708	11.6
136.05266	4.7
137.05956	21.0
139.11172	4.6
145.01724	16.7
145.02817	11.6
145.10103	6.9
147.04410	4.9
147.07968	5.3
149.13225	5.2
151.07518	14.6
153.01791	10.6
153.05464	9.3
153.12775	5.4
159.08043	7.0
159.11685	8.8
161.05989	13.1
161.09622	6.1
162.17979	4.1
163.02760	6.4
163.03941	7.4
165.05498	15.1
165.06958	5.5
167.07042	27.3
167.08334	7.9
169.06462	5.5
169.10139	4.3
175.07520	5.0
177.05470	16.3
178.07817	4.5
179.07077	26.2
180.07780	31.1
181.04953	22.3
181.06425	7.7
191.08656	4.4
194.07248	9.8
195.08078	9.8
197.01201	11.6
197.06056	6.4
201.67851	4.7
206.07329	5.2
209.09641	4.5
210.06752	8.1
211.07613	14.1
212.08304	6.8
213.09032	5.7
215.02380	5.6
218.29648	4.4
221.06027	5.4
221.09612	12.5
223.07538	13.9
224.08282	5.0
225.09138	9.2
227.02264	22.5
227.06926	8.3
232.02562	4.6
232.71393	4.5
234.06754	6.9
235.07654	5.0
237.09085	11.5
238.06204	9.9
238.09921	10.1
239.07080	8.6
239.10773	4.7
240.02988	9.3
240.07903	21.2
242.05855	5.0
245.03387	10.3
249.09094	17.1
251.07074	8.9
252.07887	4.9
253.08569	26.6
253.12233	8.1
254.09055	6.4
255.06508	7.2
255.10060	13.3
257.08075	8.1
258.04120	6.1
265.08582	8.8
267.10138	18.1
268.07217	6.5
269.08023	11.7
281.08142	5.1
281.11661	5.7
283.09695	22.7
284.10150	5.7
285.07623	6.9
290.36481	4.6
293.06961	23.3
295.09641	15.1
296.05582	6.2
297.07449	6.4
297.10873	5.7
298.08160	5.6
299.12720	10.8
300.09940	17.8
309.11343	8.7
310.11395	6.1
311.08148	15.4
312.09521	7.3
313.10651	35.0
313.14362	20.6
326.11285	5.6
327.12372	53.6
328.12851	5.7
331.15189	11.4
336.10373	34.9
336.60574	14.7
341.13864	20.2
347.61096	5.1
359.14868	100.0
359.21796	9.5
360.15189	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	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.45436	0.9
54.48291	0.8
55.01887	1.4
55.05502	1.1
56.07365	0.9
57.03428	3.1
59.04989	1.3
61.02915	2.8
67.05503	1.5
69.03422	7.5
69.07044	0.9
70.06581	1.6
70.53963	0.8
71.20184	2.3
72.08157	1.4
73.02890	2.4
75.04456	1.9
79.05479	2.1
81.03406	3.3
81.07062	1.2
84.08128	2.7
85.02898	30.1
86.09673	2.7
87.04464	1.6
88.03968	1.5
89.03913	1.5
91.03928	1.2
91.05471	5.8
93.07030	8.2
95.04963	2.9
97.02873	8.4
99.04438	1.5
105.03323	0.9
105.07028	5.7
107.08582	24.2
109.02888	2.8
109.06480	2.4
109.10159	1.8
112.11220	2.6
117.03378	3.0
119.04961	1.6
119.08569	3.5
121.06493	2.7
123.04427	1.6
127.03890	5.3
129.13832	1.7
133.10117	24.1
135.08060	1.2
135.11676	22.4
135.12700	1.4
137.05968	2.3
137.09622	1.6
145.02847	5.4
145.04933	3.6
151.11145	2.1
153.01715	1.0
154.82243	1.0
161.09604	12.5
177.05463	9.2
178.06046	0.9
179.10655	40.8
197.11710	100.0
198.12088	2.7
267.25809	0.9
341.06711	1.6
359.16614	3.9
379.27158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33767	2.2
53.03922	3.1
55.05482	2.6
61.02905	3.6
69.03399	8.2
70.06567	9.0
75.43304	2.3
79.05500	2.5
81.03403	4.6
81.97585	2.2
83.08566	2.7
84.08118	2.6
85.02898	27.6
86.09678	8.0
89.03928	2.5
91.05457	7.9
93.07031	7.7
95.04913	2.4
97.02876	7.2
103.05460	3.4
105.07011	10.9
107.08583	37.1
109.02831	3.9
109.06426	2.2
112.11214	5.2
117.03352	6.1
118.70898	2.0
119.04919	3.9
119.08552	7.3
120.08090	8.6
121.06528	3.7
121.10102	7.2
121.51604	2.6
127.03880	6.1
129.13843	4.1
131.08492	3.4
133.10118	19.5
135.04430	3.2
137.05936	9.4
145.02824	12.4
145.04892	3.8
149.02325	60.3
149.09486	4.1
151.03871	3.1
151.07484	3.1
151.11139	7.5
153.01808	4.6
161.05899	2.3
161.09601	6.8
163.03864	43.0
167.10681	15.1
169.55362	2.8
177.05421	18.8
179.10629	21.0
181.04951	18.0
195.10109	3.9
197.11717	100.0
198.11987	2.9
200.13757	3.8
234.11194	3.6
303.46072	2.2
313.06918	14.9
313.10217	2.1
319.04434	2.6
346.57022	2.2
359.07391	9.5
380.72986	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01863	2.7
57.03421	3.5
57.26646	1.3
61.02918	5.0
67.05482	1.8
69.03421	11.4
70.06585	2.7
70.84721	3.7
71.04989	1.7
72.08144	3.7
73.02905	2.8
79.05495	2.7
81.03427	7.8
81.07040	2.4
83.84754	1.4
84.08125	5.1
84.83927	1.3
85.02899	37.3
86.09691	2.4
87.04439	2.1
87.32465	1.6
89.03905	2.8
91.03931	2.7
91.05468	8.7
93.07037	5.7
95.04948	2.1
95.08585	2.2
97.02891	13.1
99.04411	1.5
105.07031	7.9
107.07854	3.0
107.08585	60.1
109.02879	3.7
109.06509	2.4
109.10141	10.1
112.11236	5.0
117.03365	5.4
119.08575	2.2
121.06481	2.2
123.11590	1.5
127.03928	7.1
129.13872	3.3
133.10106	25.5
135.11690	10.9
137.05998	2.5
137.09587	9.4
145.02844	10.3
145.04942	7.5
149.06020	2.5
151.11185	5.1
153.01822	4.4
157.07724	1.8
161.09599	6.6
163.03905	1.6
177.05449	15.5
178.05827	1.6
179.10649	22.8
186.43407	1.4
197.11711	100.0
198.12010	2.0
210.42229	1.4
234.11201	1.9
237.40970	1.6
243.70186	1.5
283.48901	1.5
359.16605	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	359.1489
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
55.01870	1.6
55.05499	1.9
56.96568	3.5
61.52266	1.5
62.25276	1.4
62.76880	1.3
65.03928	5.2
67.05482	4.1
69.03435	3.3
69.07053	3.1
69.35080	15.6
70.06553	1.7
71.04987	4.4
79.01844	6.9
79.05482	5.2
81.07050	5.7
82.04185	1.5
84.08139	2.5
85.02897	8.8
91.05474	5.8
93.07043	4.1
95.04958	3.8
95.08587	3.6
97.02866	2.3
97.06537	2.3
100.11228	1.7
103.05457	2.0
105.07028	4.6
107.04943	5.2
107.08601	4.0
109.06485	1.7
109.10133	2.7
110.03667	1.7
111.04443	5.4
112.11197	2.6
116.06274	1.4
117.03358	3.6
119.04945	1.6
119.08575	1.5
121.02868	11.5
121.06507	2.9
121.10115	2.7
123.11742	1.6
125.02335	3.9
125.05967	5.8
129.07005	2.8
129.13878	3.2
131.04918	2.8
131.56511	1.3
135.08049	5.9
137.05968	4.3
143.03391	7.6
144.05678	3.1
145.02846	5.3
145.06441	3.3
145.10139	1.6
146.07231	1.7
147.04338	2.1
147.08057	2.3
149.02327	3.8
149.05981	1.9
151.03877	3.9
152.06255	1.8
153.01825	72.8
153.05501	5.1
153.06859	1.8
157.06412	1.8
159.08093	7.6
161.05978	10.0
161.09607	7.5
165.06998	5.1
166.07741	1.5
167.07068	6.3
169.06500	3.0
171.06557	2.2
174.06853	1.6
177.05475	10.3
177.06931	2.6
177.09166	1.4
178.07806	2.8
179.08499	4.1
181.04961	28.6
181.06453	6.6
182.07335	3.1
183.08113	1.9
184.08775	1.5
187.07474	2.7
189.07133	2.0
189.09077	7.4
191.08600	2.6
194.07297	2.5
195.08028	14.2
196.08743	1.6
197.05922	5.4
197.09607	1.8
199.07649	1.9
203.08574	2.3
205.06516	1.8
206.07249	4.2
207.08046	3.6
208.08876	2.2
209.05963	4.2
209.09579	3.2
210.06728	7.0
211.07605	7.3
212.08295	4.3
213.08929	1.6
219.08102	2.6
221.06050	1.8
221.09612	14.8
222.06714	3.9
222.10371	3.2
223.07529	12.8
224.08304	7.3
225.05508	2.0
225.09056	8.7
226.06262	1.9
226.98595	2.5
227.07028	5.1
227.10629	3.3
234.06715	3.7
235.07506	4.1
237.05399	3.1
237.09048	9.5
238.06305	3.2
238.09856	9.9
239.07016	8.3
239.10588	4.2
240.07791	17.8
241.08684	5.2
242.05678	2.6
244.99652	1.7
249.09006	9.0
250.09961	2.7
251.07013	8.3
251.10669	2.8
252.07849	6.5
253.08597	28.9
253.12300	11.1
254.09262	5.1
255.06476	5.8
255.10193	10.8
257.08102	11.7
265.08578	6.2
266.09433	7.4
267.06696	3.1
267.10141	7.8
268.07288	6.2
269.08054	13.5
270.08942	3.1
270.12610	1.6
281.08112	10.5
281.11746	12.8
282.08749	1.8
283.06113	4.7
283.09662	20.0
284.07132	1.9
284.10382	4.4
285.07657	4.2
285.11115	2.7
295.09653	4.4
297.07544	8.5
297.11154	3.6
298.08356	10.7
298.11957	3.7
299.12817	9.9
300.09927	21.5
309.11215	9.2
310.12009	2.3
311.09131	2.3
313.10684	95.3
313.14349	68.0
314.11075	3.0
326.11395	7.9
327.12265	35.8
328.12671	3.2
331.15390	25.0
341.13834	56.6
342.13898	1.6
359.14865	100.0
360.15265	2.6
379.26990	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
50.75071	1.0
55.05519	1.9
65.03926	5.2
66.89946	1.2
67.05490	2.6
69.07056	1.6
69.27736	10.9
69.28143	2.5
75.05175	0.9
76.85771	1.1
79.01804	1.1
79.05481	2.3
81.07047	1.2
82.04187	1.5
85.02888	2.8
91.05453	3.3
93.07018	1.3
95.04922	1.3
95.08607	1.7
97.06533	1.7
105.07000	2.3
107.04931	4.6
108.02097	1.2
110.03654	4.6
111.04436	5.9
121.02845	14.4
121.06483	3.4
123.04432	1.4
125.05988	5.3
128.06242	3.0
129.07007	2.4
131.04974	1.5
135.08058	5.5
137.05959	2.2
142.02686	1.5
144.05690	4.3
145.06456	3.1
147.04478	1.3
147.08006	2.0
149.02299	4.6
151.03912	1.0
152.06198	2.1
153.01810	7.9
153.05432	6.9
153.06935	4.0
159.08044	6.7
161.05949	3.8
161.09624	4.2
161.63641	1.0
165.07001	5.3
166.07648	2.0
167.07014	5.2
167.08557	4.3
169.06422	3.7
171.06551	3.1
175.07536	1.4
177.07010	2.5
178.07776	2.5
179.08521	3.2
181.04942	25.1
181.06480	5.7
182.07277	5.9
183.07997	3.8
184.05170	1.3
184.08844	1.7
189.06976	1.4
190.07825	2.1
191.08560	2.0
192.09355	1.3
193.06480	3.2
193.10045	1.7
194.07314	5.1
195.08011	12.6
197.05939	6.1
197.09618	3.4
199.11238	1.6
203.08493	2.2
205.06491	2.5
206.07256	3.3
207.07962	4.2
209.05951	4.1
209.09607	4.2
210.06699	10.1
210.10248	2.4
211.07500	9.2
212.08319	5.4
213.09120	2.7
219.07993	3.5
220.08829	3.3
221.06068	2.3
221.09587	14.1
222.06720	4.3
222.10309	4.2
223.07495	13.8
223.11057	1.6
224.08286	6.4
225.05632	2.3
225.09019	6.7
226.06197	2.1
226.09947	1.4
227.06917	6.1
227.10675	4.0
229.08514	1.9
234.06654	2.5
235.07494	4.3
237.05370	3.3
237.09055	10.6
238.06158	4.6
238.09904	11.5
239.06996	11.1
239.10619	3.3
240.07796	24.0
241.08572	3.3
242.05634	3.0
242.09286	1.4
248.08247	2.3
249.08987	10.7
250.06194	1.2
250.09769	2.5
251.07043	7.6
251.10608	2.6
252.07697	6.7
253.05725	1.9
253.08560	41.3
253.12209	13.2
254.09314	6.2
255.06442	9.7
255.10089	11.3
256.10608	1.8
257.07971	9.0
265.08649	6.4
266.05795	1.9
266.09338	8.4
267.06638	2.5
267.10150	6.9
268.07266	9.5
269.08041	16.7
270.08780	5.0
271.13205	1.6
277.08710	2.4
279.06628	1.7
279.10132	1.5
280.07245	1.4
281.08041	11.7
281.11661	13.3
282.08807	3.9
283.06027	4.4
283.09616	20.4
284.07385	1.2
284.10349	5.9
285.07507	4.9
285.11026	2.6
285.14633	2.2
295.09595	2.6
297.07568	8.4
297.10791	2.7
298.08322	12.2
298.11948	4.5
299.12708	10.9
300.09927	20.7
303.15735	1.9
309.11145	7.9
310.11859	3.8
311.09158	3.7
313.10651	100.0
313.14313	61.9
314.10977	3.5
314.14481	1.9
325.10684	1.4
326.11371	7.0
327.12225	61.3
328.12778	4.0
331.15347	25.5
341.10428	2.0
341.13800	52.4
342.14240	1.6
359.14825	94.0
360.15314	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	358.2584
Annotation	(9Z)-3-hydroxydodecenoylcarnitine
Peak:m/z	Relative Intensity
50.10267	0.3
55.05510	1.5
56.05023	3.9
57.07070	12.3
58.00320	0.3
67.05494	3.8
69.07059	3.1
70.06591	0.5
70.11726	1.7
71.08622	8.4
76.00221	0.4
79.81099	0.3
80.42178	0.3
81.07046	3.9
83.08606	1.3
84.04496	100.0
84.84518	0.3
85.02888	1.8
85.04832	0.9
85.10167	4.1
87.04461	0.9
89.14866	0.3
95.08589	7.1
97.10165	1.4
102.05533	36.4
109.10161	2.7
111.11713	0.9
123.11697	1.5
130.04988	83.8
131.03368	0.6
131.05353	0.7
137.13235	0.6
148.06029	79.7
149.06319	1.2
171.07588	0.6
211.20551	3.5
246.08955	0.3
309.92102	0.4
335.18759	0.5
358.25760	0.7
358.36276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.05018	0.3
57.07068	7.6
58.06585	0.7
60.04522	0.5
62.06057	0.4
64.65855	0.3
68.05002	0.4
69.39384	3.5
70.06584	13.1
71.08623	2.8
80.67530	0.3
80.71360	0.4
85.10159	1.2
88.07619	16.4
95.08588	0.5
96.90025	0.3
102.09164	4.6
105.06998	0.5
106.08654	9.7
123.94202	0.3
181.89169	0.4
284.60822	0.4
296.33200	0.5
314.34155	1.2
333.29803	0.4
340.35703	7.2
341.36084	0.5
358.36734	100.0
359.37082	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	357.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
55.05504	16.1
56.96542	33.4
57.03433	19.4
57.07063	24.4
59.91278	12.4
61.02916	28.4
67.05495	51.5
69.03419	14.5
69.07053	61.2
71.59776	17.7
73.02903	19.7
77.14957	14.4
79.05476	29.7
81.03414	19.1
81.07056	100.0
83.08587	37.7
85.02890	25.3
85.06515	14.9
91.03973	13.2
91.05435	30.5
93.07017	46.5
95.04926	16.1
95.08595	66.7
97.02872	22.1
97.06529	14.0
97.10164	22.3
105.07021	26.7
107.08576	27.1
108.56169	13.9
109.10155	32.8
116.98605	20.0
118.81088	12.1
119.08557	19.0
121.10138	34.3
125.13244	11.3
131.08534	17.6
133.10117	21.5
135.11650	21.6
147.11681	17.7
147.30281	12.2
149.09476	15.2
153.01852	57.8
157.10028	14.1
159.11601	15.8
201.44279	11.4
231.09010	22.1
263.89703	15.8
267.08951	22.6
269.12585	12.6
285.10074	23.1
287.11703	16.6
287.89294	14.5
308.11523	13.8
321.27924	15.7
351.95114	21.1
357.20132	31.0
357.24271	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39910	3.3
55.05511	42.1
56.96555	12.9
57.03433	4.6
57.07067	14.7
61.02919	5.4
67.05501	42.5
69.03424	6.6
69.07069	66.1
69.98754	20.8
71.04966	4.7
71.08627	5.9
79.05490	23.6
81.03426	9.2
81.07054	100.0
83.04995	5.5
83.08615	43.7
85.02860	6.4
85.06538	17.5
91.05479	13.6
93.07035	36.1
95.04966	9.9
95.08041	6.8
95.08609	87.6
97.02905	6.6
97.06508	12.4
97.10174	28.4
98.97607	10.5
99.08105	5.9
105.07018	18.7
107.08600	35.9
109.06527	10.9
109.10152	51.3
111.08085	4.4
111.11719	21.0
116.98595	8.1
118.58589	3.7
119.08582	16.6
121.10130	23.0
123.11718	34.7
125.13306	5.3
127.07510	4.9
128.42262	3.9
131.08575	9.2
133.10129	17.0
134.99652	4.3
135.08075	4.2
135.11687	27.1
137.09624	6.2
137.13281	24.3
139.11121	3.8
143.10794	4.4
145.10086	9.3
147.11678	16.5
149.01224	8.4
149.13266	11.1
149.40369	4.2
151.11157	7.4
151.14790	13.4
153.01830	11.3
158.99712	4.5
159.11678	10.1
161.13232	10.0
163.11232	4.3
165.12799	7.6
167.10841	4.5
173.13268	8.5
175.14778	7.9
177.00664	6.8
179.14278	4.4
181.12306	3.8
183.13736	5.5
187.49138	4.2
188.03453	12.0
191.14145	3.9
193.15860	5.9
195.13783	11.0
229.19345	4.7
255.09021	6.4
259.86597	4.0
261.25769	4.5
285.10144	9.4
285.25708	5.4
290.44885	4.1
303.26837	17.4
321.27924	27.0
339.28784	10.2
350.94897	4.9
351.94684	8.0
357.16428	6.6
357.20410	52.0
359.86618	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	357.154
Annotation	2,6-Dimethoxy-4-(2-propenyl)phenyl beta-D-glucoside
Peak:m/z	Relative Intensity
51.97874	1.3
53.03948	1.6
70.68707	4.8
71.04982	3.6
73.02914	8.2
78.04688	1.5
79.05466	7.6
91.05483	5.5
95.04958	3.7
103.05466	16.2
105.07017	8.0
107.04945	100.0
111.04396	2.2
115.05444	8.7
116.93372	1.3
117.05485	2.1
117.06979	3.2
120.05718	5.0
123.04431	4.7
124.05210	1.7
131.04904	7.4
133.06487	3.8
135.08044	32.5
135.08989	2.8
137.05963	18.6
145.06535	1.8
147.04395	2.2
149.05995	2.9
151.03925	5.0
153.05423	1.7
154.06221	1.9
161.04759	1.3
161.06029	3.7
163.07526	92.6
167.07036	58.1
168.07350	1.4
172.03931	1.5
179.07133	2.4
180.07811	2.7
181.08658	2.8
195.10144	49.3
203.07123	2.0
204.06476	2.3
205.08609	2.9
211.09671	1.8
213.11211	3.2
234.06763	1.8
247.07608	2.0
251.06950	2.0
277.08484	1.6
279.10150	2.4
295.09891	1.6
297.11298	3.1
307.09537	2.1
311.12735	1.7
321.11206	1.7
327.12241	2.6
339.12402	3.4
357.13278	9.0
357.18692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
55.05497	0.5
56.96569	1.2
57.03397	0.3
67.05486	0.7
69.03416	0.6
69.07047	0.9
69.99371	0.5
69.99788	1.0
71.04993	0.4
73.02898	0.2
79.05505	0.6
81.03419	0.5
81.07048	1.5
84.04478	0.3
85.02877	1.1
85.06519	0.3
91.05464	0.8
91.71485	0.2
93.07014	0.8
95.04952	0.2
95.08587	1.0
97.02869	0.6
97.06509	0.3
97.10161	0.3
98.21387	0.4
105.07016	0.7
106.04115	0.3
107.04938	0.8
107.08563	0.7
108.11716	0.3
109.06525	0.3
109.10134	0.8
110.47260	0.3
111.04461	0.3
115.03820	0.2
115.05466	0.3
116.98572	0.5
117.07024	0.2
119.08572	0.8
121.02856	0.3
121.10123	0.9
123.04416	0.3
123.11676	0.5
127.03836	0.3
131.04854	0.3
131.08563	0.3
133.10106	0.5
134.99641	0.3
137.05974	1.3
140.14301	0.4
143.03424	0.3
147.11664	0.3
149.05925	0.3
151.03911	0.5
153.01814	4.2
153.05432	0.3
157.10094	0.4
159.11658	0.3
161.05991	0.4
165.09094	0.4
167.07025	0.6
175.07454	0.4
175.14891	0.3
177.00725	0.5
177.05482	0.8
177.16266	0.3
194.16179	0.3
195.13605	0.4
195.55904	0.2
198.12820	0.2
203.06938	0.5
207.08163	0.4
229.07466	0.3
236.69896	0.3
267.09967	0.3
279.09961	0.3
281.08145	0.3
281.11679	0.3
289.03311	0.3
295.09320	0.3
297.11310	0.4
307.09579	0.3
312.06076	0.4
325.07050	0.3
325.10699	0.6
327.12238	1.0
329.13712	1.0
334.15332	0.5
339.12180	0.3
351.94696	0.3
357.18781	100.0
358.19156	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	357.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
52.37679	0.3
56.96558	0.3
69.03429	0.6
69.32373	0.3
70.06552	0.6
71.04971	0.5
79.01844	4.4
81.03411	1.4
85.02881	0.7
91.05776	0.4
97.02887	1.2
103.03935	3.5
107.01303	1.2
109.02852	0.8
125.02327	3.7
127.03909	2.6
129.10254	0.4
143.02280	0.6
143.03378	7.9
153.01814	100.0
153.02783	3.7
154.02127	1.4
159.05458	0.4
169.04933	1.0
177.05342	0.6
177.06723	0.7
191.03445	0.5
207.07683	0.8
223.07153	2.1
233.04460	0.5
237.03958	1.2
244.12848	0.3
261.03897	1.0
279.04846	0.5
286.55200	0.3
321.10931	0.4
339.08035	0.6
339.11719	2.9
357.07761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.69165	0.1
55.01869	0.3
56.96575	0.2
69.03432	0.2
69.07066	0.2
70.75902	0.4
79.01846	4.5
79.05461	0.2
81.03395	0.5
81.07053	0.2
85.02905	0.3
91.05427	0.1
93.35217	0.1
97.02890	1.5
97.19682	0.1
103.03930	2.2
107.01323	1.1
107.04921	0.3
109.02882	0.8
123.00785	0.2
123.04460	0.1
125.02342	3.8
127.03902	1.4
137.05960	0.9
143.03386	8.1
151.03851	0.2
153.01817	100.0
153.02780	3.8
154.02155	1.0
163.03900	0.3
163.07471	0.2
169.04956	0.7
175.07535	0.2
177.09081	0.3
191.03403	0.6
195.02893	0.3
205.04906	0.2
205.08743	0.2
207.03064	0.2
209.04422	0.3
219.02975	0.2
233.04391	0.4
237.03914	1.7
261.03964	1.2
267.04941	0.2
279.04919	0.4
290.17276	0.2
293.32571	0.2
297.05881	0.2
357.08374	0.3
357.13580	0.5
357.18835	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	357.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
55.01854	0.3
56.96556	0.2
65.65051	0.1
69.03422	0.4
69.07043	0.4
69.94115	0.9
72.93782	0.2
79.01845	4.3
81.03398	0.4
81.07036	0.3
85.02914	0.4
87.00853	0.2
90.93391	0.2
91.05476	0.3
92.44789	0.2
93.07037	0.3
97.02864	1.0
98.97574	0.4
99.04452	0.2
103.03922	2.1
107.01331	0.9
109.02858	0.8
116.98652	0.2
119.08584	0.2
125.02329	3.2
127.03889	1.5
130.14243	0.1
137.05969	1.0
143.03383	7.9
145.04893	0.2
153.01816	100.0
153.02780	3.8
154.02095	1.1
159.04416	0.3
169.04929	0.8
175.04002	0.2
175.07445	0.2
177.05455	0.3
191.03426	0.5
195.02901	0.3
205.05060	0.3
209.04343	0.2
219.08025	0.2
224.97734	0.1
233.04367	0.6
237.03897	1.6
241.81551	0.2
261.03983	1.1
279.05042	0.4
357.09097	0.2
357.13336	0.7
357.18811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	36.8
70.00070	1.1
70.92080	2.4
71.95258	5.5
72.96042	1.3
74.97614	3.1
78.58934	1.1
84.96027	3.6
86.71478	1.0
93.07108	1.1
94.24031	1.1
97.96803	2.2
105.00117	1.1
110.97583	4.4
115.97866	1.9
116.98669	1.6
119.08598	1.1
123.01202	2.9
125.09247	1.1
128.98601	11.8
133.98822	1.8
134.99673	2.3
137.02826	1.2
137.98528	1.1
141.02232	1.7
146.11775	1.0
146.99643	22.0
147.00784	1.9
149.09737	1.0
150.51416	1.0
155.03799	2.1
161.01237	5.5
165.00641	6.3
170.01256	2.3
171.03270	1.3
179.02342	1.5
185.04880	1.1
189.04382	3.3
195.06715	1.0
203.05959	4.4
241.11134	2.2
245.10730	1.5
259.12173	1.4
262.89490	2.8
263.09564	2.2
277.10883	1.0
286.89465	2.6
289.11053	1.3
303.12717	4.2
315.16235	36.0
315.19766	2.0
316.16574	1.8
317.14310	1.5
321.13962	1.3
331.15634	5.5
333.17343	100.0
334.17743	5.1
350.94717	4.2
351.18408	34.8
352.18808	1.9
356.19031	21.4
357.19162	1.5
374.19803	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	356.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68368	0.3
52.28440	0.4
58.99776	0.5
67.64370	0.3
70.40800	1.2
77.00757	2.9
77.01241	0.8
81.06919	1.1
93.06901	0.4
95.01778	3.0
105.06940	0.5
107.08480	0.4
107.49891	0.3
116.76841	0.4
119.08431	0.6
131.01770	0.6
141.03854	0.5
155.05409	0.6
159.04918	0.5
169.06955	0.5
171.04852	0.7
173.06439	0.9
182.04037	0.4
183.08565	0.5
184.68370	0.4
187.08002	1.5
191.07515	0.5
195.08568	0.8
199.08029	0.7
201.09703	2.0
205.09129	0.8
207.05070	2.1
209.10185	0.4
213.09674	0.6
215.11128	1.2
219.10626	1.4
221.06383	1.2
221.10115	0.5
223.11734	0.7
225.06010	0.8
225.09695	0.5
227.11142	1.3
231.12180	0.5
237.13293	1.3
239.07516	0.6
239.11206	0.7
241.12729	1.2
243.14377	0.5
251.11166	1.0
253.12747	0.5
255.14250	2.6
259.15417	0.5
262.89349	0.7
263.11105	0.7
264.11948	1.4
265.12708	1.1
269.12387	0.4
269.15506	0.4
273.16858	1.2
275.14899	0.4
277.12714	0.8
281.12363	0.9
282.12878	0.8
283.13785	1.1
286.89481	1.1
289.16461	2.4
291.14667	0.5
291.17996	4.9
295.13861	0.4
303.18042	0.5
307.17706	0.4
309.19043	6.0
313.16357	0.9
314.19772	0.4
315.17975	8.8
316.18405	0.6
327.20288	0.6
332.20621	1.0
333.19077	100.0
334.19312	8.2
350.94727	1.2
351.20120	8.5
352.20377	0.8
356.16855	1.3
356.20712	13.9
357.20996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01846	0.9
56.96561	1.7
57.03416	0.9
59.34402	0.7
61.02908	1.6
62.53001	0.6
65.03915	1.6
66.31121	0.7
69.03423	5.6
70.06567	0.9
71.04988	0.9
71.58311	1.2
73.02907	1.9
79.05483	3.4
81.03396	2.1
84.04514	0.7
85.02888	7.3
86.50634	0.7
87.04465	1.9
91.03936	0.9
91.05415	4.5
97.02880	4.1
98.97588	1.4
103.05450	3.3
105.03316	0.9
105.07023	7.4
109.02856	1.8
116.98599	1.0
117.05750	14.5
120.08108	4.4
122.05978	1.6
123.06834	1.1
127.03881	2.0
130.06502	2.6
131.04855	1.0
131.07286	2.6
132.08069	21.6
133.05222	6.7
134.06017	1.1
134.99600	1.0
137.08321	3.7
138.05482	1.7
143.03326	1.0
145.05109	1.1
146.99652	0.8
147.06706	4.0
148.07555	45.5
149.07921	0.9
150.05484	7.3
150.09135	2.0
150.42705	0.7
153.01808	8.1
160.07555	9.5
164.07034	1.2
166.08617	14.3
174.05505	0.8
176.07048	54.6
177.07491	1.3
194.08099	49.2
195.08414	1.3
243.01880	0.7
262.89606	1.2
276.04865	1.3
279.04010	0.8
286.00952	0.7
286.89374	2.0
325.18176	0.7
350.94690	2.2
356.06979	6.7
356.13345	100.0
357.06644	1.3
357.13782	3.5
363.92111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25063	2.5
53.03949	3.4
55.05505	20.4
56.96558	8.3
57.07069	10.0
59.04998	5.1
67.05495	31.0
69.07054	41.5
69.99137	14.0
71.04980	6.8
71.08630	4.6
79.05498	21.8
81.07048	100.0
83.04981	4.8
83.08594	14.7
85.06538	14.6
85.43220	2.5
88.04008	3.1
91.05485	11.5
93.07031	36.4
95.04986	4.8
95.08591	74.7
97.02903	4.4
97.06538	9.4
97.10154	6.2
98.97589	6.9
99.04472	5.9
99.08081	5.6
105.07024	34.1
107.08583	43.9
109.06512	8.8
109.10150	45.8
111.08064	5.6
111.11703	5.3
116.98615	2.6
117.07033	3.2
119.08560	17.4
121.06477	4.4
121.10110	30.7
121.10749	2.7
123.08074	8.8
123.11683	30.4
127.07559	6.1
129.99614	2.8
131.08537	5.6
133.10120	24.7
134.04521	5.7
135.08060	3.4
135.11682	26.4
137.13239	25.8
139.07545	4.1
145.10078	4.8
147.11647	26.9
149.09602	6.3
149.13249	20.5
151.07585	4.5
151.11134	21.9
157.10089	7.6
159.11705	4.5
160.07594	8.4
161.09558	3.1
163.11220	5.3
163.14772	6.3
165.12743	12.5
173.13271	3.9
175.11217	16.5
175.14769	4.1
177.12740	5.8
177.16377	5.0
179.10672	4.5
181.12202	5.9
193.12213	34.2
195.13853	6.2
205.19565	6.6
207.13812	6.3
209.15338	3.4
211.13252	6.1
219.01759	3.7
229.14426	4.2
262.89429	6.6
263.20163	3.5
286.89484	7.1
301.25809	3.6
308.93835	3.8
319.26260	28.1
321.50662	2.9
322.19531	2.9
323.09201	3.3
337.27316	11.0
350.94559	5.4
355.04034	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	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	28.1
56.96554	35.3
57.03425	7.0
57.07063	7.7
67.05491	51.8
68.23058	2.1
69.07059	32.1
71.08628	5.5
71.95239	3.9
78.14903	2.8
78.20675	2.0
79.05473	19.8
81.07043	65.3
83.08600	22.3
85.06536	4.1
85.10165	2.5
91.05450	14.5
92.98614	1.9
93.07027	24.9
95.04968	3.4
95.08591	55.9
97.06506	7.1
97.10141	12.3
103.03943	2.5
105.07018	10.1
107.08597	14.4
109.10139	28.7
110.97548	3.5
111.11707	5.8
113.09628	1.9
118.26759	2.1
119.08582	13.1
119.37923	1.9
121.10123	21.4
123.11680	16.2
124.71812	1.9
124.72868	2.0
125.09788	2.3
128.98608	13.2
129.05435	2.3
133.10098	13.2
135.11652	13.1
137.09560	3.1
137.13225	7.1
146.99622	22.3
147.11676	10.0
149.13249	10.4
151.11110	2.9
151.14796	5.1
155.03746	2.7
161.01041	3.0
161.13269	10.3
163.14790	8.3
165.00676	6.2
165.16351	3.7
175.14743	7.9
177.16449	2.2
179.14348	2.6
179.17897	4.2
189.16290	2.6
203.05859	3.8
229.30495	2.3
240.44873	2.0
241.11031	2.6
245.22609	33.7
252.10216	4.4
263.23682	34.9
270.11334	2.2
277.11072	2.6
303.12564	3.2
315.16248	33.7
321.13910	2.6
331.15771	4.1
333.17276	100.0
337.27325	22.1
350.94208	2.1
351.18369	47.6
355.15475	2.6
355.18851	6.9
355.22952	2.4
355.29446	3.9
355.33914	13.2
356.19009	18.4
374.19849	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	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01867	1.3
55.05508	21.0
56.46417	1.1
56.96553	3.9
57.03423	2.1
57.07070	8.7
57.91663	1.2
65.03904	1.6
67.05165	2.2
67.05499	32.5
68.33327	1.2
69.03411	5.5
69.07061	36.7
69.96405	1.1
71.04974	3.4
71.08615	3.4
71.21101	2.8
72.92905	1.2
79.05487	24.9
81.03395	1.8
81.07052	100.0
82.07369	1.6
82.10583	1.3
83.04975	3.0
83.08616	13.7
83.59999	1.1
85.02900	1.6
85.06065	2.3
85.06539	28.0
85.10172	1.6
91.05439	14.7
93.06464	2.1
93.07037	40.2
95.04936	5.1
95.08600	81.2
96.08961	1.2
97.02874	2.8
97.06530	6.2
97.10164	10.4
98.97575	3.7
99.04447	3.7
99.08076	6.0
101.06008	4.2
105.07021	30.0
107.04926	2.2
107.08585	58.0
109.06516	8.0
109.10150	44.3
109.10909	2.1
110.10531	1.9
111.08060	3.9
111.11729	4.7
113.09663	2.0
115.07561	2.0
116.98606	3.6
117.06992	6.1
119.08579	19.3
121.06491	3.7
121.10133	29.3
123.08016	4.7
123.11699	23.0
125.09641	2.5
125.13259	1.4
127.03912	1.7
127.07567	9.5
127.11220	1.9
128.06218	1.5
128.98619	1.3
129.06987	3.4
130.07764	3.5
131.08562	16.3
133.10130	13.6
134.99626	1.9
135.08049	4.2
135.11678	24.1
137.05954	2.9
137.09590	5.2
137.13258	12.3
139.07539	3.2
139.11154	2.3
141.09067	2.7
143.08568	6.2
145.06534	1.7
145.10117	30.3
147.08020	1.8
147.11673	14.8
149.09598	5.0
149.13239	18.9
151.11133	5.1
151.14816	2.9
153.01863	2.6
153.09076	1.6
155.08472	2.1
157.10091	4.6
159.08142	1.6
159.11685	9.5
161.09558	3.9
161.13260	7.4
163.11235	3.0
163.14783	7.0
165.09058	1.7
165.12740	4.6
167.10632	5.2
171.11671	4.1
173.09628	13.2
173.13232	4.6
175.11131	7.1
175.14859	2.0
177.00696	1.7
177.12793	6.4
177.16380	4.7
179.10643	3.6
181.12199	3.1
183.11682	1.5
183.13742	1.5
185.09642	1.4
185.13177	2.5
187.11148	3.8
187.14859	2.1
189.12804	2.2
189.16249	1.8
191.10658	5.5
191.14310	4.6
191.17940	4.2
193.12213	3.0
195.13768	9.6
197.11714	2.7
199.14835	2.9
201.16310	2.5
203.17931	1.8
205.15776	1.6
205.19482	7.2
207.13713	3.3
209.15404	3.4
209.18889	1.9
213.16347	2.3
219.17445	2.0
221.19006	1.4
223.16948	2.4
223.20529	5.1
225.16222	2.0
227.17784	1.4
235.16859	2.3
237.18481	2.3
244.09729	1.8
245.18950	1.6
253.19514	7.4
259.24216	1.7
262.89438	2.2
271.20471	1.9
273.15295	2.9
273.65454	6.6
283.24133	6.8
286.89423	2.4
291.26642	2.0
301.25284	8.7
319.20685	3.0
319.26294	24.6
320.26797	1.5
337.21606	8.8
337.27402	10.4
350.94681	2.1
354.68356	2.2
355.07162	1.4
355.11536	2.7
355.15753	1.9
355.22458	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	355.2839
Annotation	12,19,20-Trihydroxy-14-methylenegeranylnerol
Peak:m/z	Relative Intensity
53.03933	1.7
55.01860	3.0
55.05504	20.5
56.96561	1.8
57.03434	2.0
57.07071	7.9
59.04995	1.4
65.03935	1.3
67.05496	29.8
69.03410	2.4
69.07063	41.3
70.94347	1.7
70.94659	1.4
71.04984	3.7
71.08619	2.6
73.00701	1.0
73.06557	1.7
79.05483	20.1
79.62336	1.0
81.03418	1.9
81.07050	100.0
83.04958	4.9
83.08617	20.6
85.06540	23.5
91.05466	10.4
93.07036	39.5
95.04964	5.0
95.08598	78.3
95.28901	1.0
97.06509	6.4
97.10149	8.0
99.04437	11.0
99.08109	7.5
101.06010	2.4
105.07021	23.5
107.08585	46.2
108.08873	1.3
109.06501	11.1
109.10147	45.8
111.08075	6.6
111.11734	5.4
113.06020	1.4
115.07558	2.6
116.98638	1.2
117.07021	2.6
119.08572	12.7
121.06454	1.5
121.10135	31.3
123.08068	7.8
123.11695	28.6
125.05991	1.9
125.13280	2.2
127.07523	11.7
129.07030	2.2
131.08557	5.0
133.10118	18.8
135.08026	2.8
135.11685	30.8
137.09618	3.7
137.13242	17.2
139.07524	2.4
139.11122	2.0
141.09129	2.3
143.08524	2.4
145.10117	5.0
147.11681	24.0
149.09590	3.4
149.13255	20.0
151.11160	24.6
151.14803	3.4
153.09113	3.2
153.12772	4.4
155.10617	1.2
157.10124	3.3
159.11693	8.5
161.13258	8.3
163.11186	3.7
163.14821	7.8
165.12778	10.6
165.16380	3.1
167.10725	3.1
167.14345	3.6
168.83853	1.1
171.11684	3.6
173.13289	3.6
175.11209	3.4
175.14824	5.2
177.12701	7.8
177.16418	5.4
179.10684	4.8
179.14282	1.2
179.17906	3.0
181.12215	6.3
183.13757	2.3
185.13231	2.8
187.14795	3.1
189.12737	3.9
191.14340	2.7
191.18002	3.5
193.12221	12.9
195.13817	10.1
199.14851	1.7
201.16393	2.5
203.14319	1.6
203.17937	5.0
205.19461	5.5
207.13814	7.2
207.17398	1.4
209.15373	3.0
219.17496	2.3
219.21109	1.3
221.19069	2.5
223.16843	1.9
223.20627	1.5
229.14323	5.1
235.16957	1.5
237.18433	2.3
249.18556	2.1
259.24255	2.8
263.20081	3.8
273.25882	1.4
283.24164	4.8
291.26712	1.5
301.25250	9.8
319.26266	59.8
320.26538	2.8
337.27332	41.3
338.27512	2.5
350.94736	1.5
355.22495	1.8
355.28531	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01874	3.7
55.05501	32.9
57.03434	12.4
57.07064	16.2
63.18356	3.2
67.05497	91.5
67.55307	3.6
69.07060	48.8
70.02280	3.0
70.29012	6.7
70.29404	8.4
71.08627	8.0
73.69633	2.9
79.05480	27.5
81.07046	100.0
82.28761	3.3
83.04981	3.9
83.08607	37.6
91.05444	20.4
93.07024	39.1
95.08598	98.8
97.06531	13.7
97.10166	26.6
99.08090	5.8
103.03960	3.5
105.07001	17.1
107.08560	24.0
109.10150	48.2
111.08066	7.0
111.11710	5.9
119.08572	16.4
121.10130	32.2
123.11680	23.9
125.13282	4.3
129.05461	7.7
133.10123	27.1
135.11673	19.0
137.13248	9.6
141.12695	4.2
147.11678	12.5
149.13179	20.1
151.14798	5.7
151.43895	4.3
153.12758	3.7
154.37962	3.8
161.13251	12.5
163.14836	9.9
165.16374	10.4
175.14833	11.4
179.17967	6.2
189.16359	7.2
200.51605	3.3
203.17867	4.2
226.95157	4.3
245.22614	57.0
263.23654	46.0
337.27295	34.9
355.28247	68.7
356.28708	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	355.2838
Annotation	12,19,20-Trihydroxy-14-methylenegeranylnerol
Peak:m/z	Relative Intensity
53.03933	2.7
55.01855	3.7
55.05507	22.7
57.07061	11.0
67.05495	24.0
69.03434	2.9
69.07061	36.6
70.75752	4.4
70.76099	2.6
71.04964	6.7
71.08623	3.9
79.05487	17.8
81.07047	79.0
83.04955	5.3
83.08614	35.0
85.06531	6.9
91.05471	11.3
93.06468	3.0
93.07036	44.7
95.04961	11.1
95.08595	52.8
97.06523	11.6
97.10139	6.8
99.04441	23.9
101.06016	2.1
104.11021	1.7
105.07005	23.5
107.08578	46.1
107.57780	2.0
109.06501	16.9
109.10134	36.9
111.08058	10.3
111.11716	4.6
117.05477	7.5
119.08585	10.7
121.06480	2.3
121.10130	20.7
123.08089	12.9
123.11691	20.3
125.09630	3.5
127.07530	15.5
131.08536	5.7
133.10130	31.1
135.08038	2.3
135.11674	32.0
137.09514	2.0
137.13232	9.5
140.12195	1.9
143.08508	3.1
145.10112	6.6
147.11650	15.4
149.13263	23.2
151.11169	72.4
151.14780	3.7
153.08987	3.0
153.12685	2.3
157.10153	4.2
159.11670	6.9
161.09633	2.8
161.13261	7.3
163.11172	5.0
163.14801	3.7
165.12695	3.3
165.16376	4.0
167.10661	2.8
167.14317	10.8
169.12257	2.9
171.11641	4.4
175.11177	5.5
177.12766	6.1
177.16364	5.4
179.10612	14.1
179.17964	4.0
181.12196	7.5
185.13235	2.1
189.12735	6.6
191.14311	2.8
193.12198	7.3
195.13774	6.7
199.14638	3.1
203.17938	5.9
204.68060	2.2
205.19527	2.9
207.13800	15.8
209.18896	6.9
235.16960	2.1
259.24216	4.3
262.89490	2.5
263.20062	3.2
273.25711	2.9
283.24118	7.8
301.25201	12.6
319.26270	79.3
320.26346	2.6
337.27341	100.0
338.27377	3.0
355.18854	28.7
355.28452	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	355.1875
Annotation	1-dodecanoyl-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05492	1.1
56.96556	1.3
61.02895	0.6
67.05490	1.3
69.07063	2.0
69.26729	5.0
69.55350	0.5
72.42104	0.5
79.05479	1.3
81.03424	0.6
81.07046	2.8
83.08621	1.3
85.02892	0.9
91.03968	0.5
91.05450	0.9
93.07034	2.2
95.08592	2.3
98.97562	1.0
99.04464	0.6
102.71342	0.5
105.07040	1.6
107.08578	2.4
108.08992	0.6
109.06541	0.6
109.10125	1.6
116.98611	0.8
119.08607	0.8
120.01865	0.5
121.10175	1.0
133.10103	0.8
134.99602	0.7
135.08110	0.5
135.11710	1.2
137.13289	0.7
145.10155	0.7
149.96411	0.5
159.11710	0.7
191.85422	0.6
204.57692	0.6
205.63060	0.5
227.12805	1.0
257.10565	0.8
262.89493	1.9
263.00665	0.7
263.58655	0.6
266.15350	0.9
283.05905	0.7
283.08600	1.2
283.15567	0.8
286.89398	1.2
287.00824	0.7
308.93509	0.6
347.17801	1.2
350.94836	1.6
355.18768	100.0
356.19061	3.0
369.06985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01855	2.8
55.05503	39.5
56.96552	3.5
57.03415	12.0
57.07071	14.1
61.02935	3.3
67.05495	78.3
69.07057	54.5
70.06548	3.1
71.04989	2.8
71.08614	6.5
79.05482	25.4
81.06570	5.7
81.07043	100.0
83.04967	2.9
83.08605	35.5
85.02876	4.4
85.06538	3.2
90.13443	2.7
91.05468	22.4
93.07024	30.2
95.04955	3.9
95.08595	89.8
97.06503	8.3
97.10152	22.7
99.08088	5.1
105.07030	16.4
106.77095	3.3
107.08553	24.6
109.10136	50.8
111.08107	3.0
111.11694	8.9
113.09630	2.4
119.08551	16.2
121.10129	30.3
123.11690	27.2
129.05385	3.7
133.10112	22.2
135.11673	19.6
137.13217	12.7
147.11667	13.6
149.13210	17.1
151.11154	3.3
151.14793	9.3
161.13225	17.4
163.14786	15.9
165.12708	2.9
165.16386	7.5
175.14792	13.4
177.16504	2.7
179.14211	3.2
179.17903	5.0
181.15796	2.9
183.37759	2.7
189.16356	5.1
203.04182	2.6
203.17917	3.4
217.07555	3.4
229.07425	11.3
230.07805	4.5
233.51228	2.9
245.22623	46.4
247.08530	9.5
263.23663	59.1
337.27328	31.8
355.28824	6.6
356.35159	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	355.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97120	1.5
53.03934	2.3
53.58918	1.3
55.01877	1.5
57.03425	2.6
61.02925	2.3
69.03423	20.0
71.01340	1.6
71.04990	9.1
71.23755	1.9
71.24082	1.7
73.04710	1.9
81.03411	32.3
87.04460	1.4
87.08043	1.5
91.05790	11.8
99.04455	8.6
101.05547	1.2
104.04971	1.6
117.05479	3.3
135.04373	1.6
139.53566	1.4
147.05515	5.0
148.03909	4.2
149.07086	2.0
157.03947	4.3
159.05574	1.5
163.03920	3.4
173.07185	1.5
175.05009	3.3
177.06633	10.3
203.04503	20.2
205.06105	5.7
221.05559	100.0
222.05865	3.3
235.02502	1.5
262.89529	2.0
268.97763	3.2
272.21503	1.4
285.00916	3.1
319.09207	10.2
337.01859	3.4
337.10254	28.3
350.94736	3.2
355.06970	3.8
355.11273	31.3
355.15466	1.1
356.11481	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.9
55.05486	0.4
57.07058	0.6
63.79485	0.4
65.03899	1.1
67.05477	0.4
69.03398	0.4
69.50935	0.3
71.59393	0.3
72.04487	0.5
74.09679	0.4
77.03911	0.5
79.05454	0.8
81.07002	0.6
82.04255	0.3
83.04942	0.4
83.97295	0.3
84.04491	0.5
85.02888	0.7
85.06473	0.4
89.03887	0.6
91.05464	21.0
93.07008	0.7
95.08578	1.0
100.11217	0.9
103.05408	1.0
105.03336	0.7
105.07006	0.8
105.93677	0.3
107.04927	0.9
109.10136	0.4
111.69234	0.3
113.32995	0.4
113.45325	0.3
118.04136	0.5
119.04924	32.2
119.08517	0.4
120.05217	0.7
121.02878	0.5
121.10130	0.5
122.03600	0.4
122.51131	0.3
129.03326	0.4
129.06967	0.8
131.04863	0.8
131.08562	0.5
132.02032	1.9
133.06528	0.4
135.04362	0.7
135.07982	0.3
137.05951	1.0
140.14731	0.4
145.02811	0.8
147.04388	28.5
148.04753	0.8
149.02347	1.0
149.07433	2.3
151.07509	0.8
153.05379	0.4
154.12253	0.6
155.12521	0.4
156.13766	0.8
157.03961	2.4
157.06499	0.4
157.14235	0.6
161.05965	4.7
163.07533	0.8
164.04680	1.3
172.15227	0.4
174.06747	0.4
175.03885	50.6
175.07274	2.5
176.04236	1.6
177.05357	0.6
179.05685	0.6
179.07178	2.4
184.13336	0.5
185.13579	0.9
189.09050	1.9
192.04086	0.6
207.06509	100.0
208.06912	2.7
210.14915	0.4
219.08090	0.5
224.59993	0.4
235.05020	1.6
235.07291	0.4
236.08392	0.4
237.12785	0.3
249.09106	0.8
251.10832	0.4
263.04480	18.8
264.04886	1.5
277.08572	0.8
278.10187	2.6
279.10217	0.5
282.18924	0.7
286.89496	0.5
293.08267	0.5
295.07095	13.4
295.10364	0.7
296.07440	1.2
309.11273	0.6
311.12714	2.5
323.06381	2.0
337.63541	0.3
340.04749	0.4
341.07498	0.4
350.94522	0.6
355.12262	0.9
355.16830	0.9
355.27731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0631
Annotation	Phenolsulfonphthalein
Peak:m/z	Relative Intensity
59.80935	1.1
66.16963	1.1
69.03415	2.8
71.58168	1.7
71.61022	1.2
81.03374	1.1
85.02888	8.6
97.02872	2.6
127.03888	4.3
145.04953	1.9
157.99440	1.1
161.02927	1.7
183.04950	1.8
183.55121	1.2
185.04198	33.5
192.03998	1.7
193.01108	5.2
193.05446	1.1
203.03987	1.5
204.04041	1.4
245.04958	2.3
246.05118	2.1
247.04958	1.6
248.20877	1.1
333.95328	1.2
355.06244	100.0
355.09943	13.3
356.06540	3.3
356.10330	1.6
377.90079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80666	1.0
71.33561	2.1
73.63622	1.0
85.02909	1.4
87.41946	1.1
91.05790	1.8
97.02898	2.2
119.01901	3.0
121.06492	3.2
131.01828	1.2
138.09137	1.5
145.03465	1.8
153.01779	2.2
173.03046	0.9
185.04198	62.2
186.04710	1.2
193.01056	11.4
193.09645	1.8
211.00827	2.3
227.04051	1.2
229.01933	1.6
242.95401	1.1
247.02956	2.0
253.02090	1.8
295.02789	1.1
355.06302	100.0
356.06436	2.6
373.06134	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	355.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06734	1.2
62.20120	1.5
67.25658	1.2
69.94844	4.3
69.95254	2.1
72.08138	1.4
73.04747	1.6
85.02876	2.0
87.86262	1.4
91.05807	11.0
105.23312	1.3
110.06008	2.3
153.01784	1.7
157.10876	1.5
163.03903	2.5
164.63675	1.5
175.03995	1.8
177.01801	1.4
183.16795	1.2
185.04221	3.8
192.03908	14.6
192.60043	1.2
193.04697	8.1
221.05505	1.3
233.29488	1.5
247.60811	1.2
265.97458	1.2
268.97818	2.2
285.01025	3.3
285.18030	1.3
286.89459	1.6
305.51572	1.3
324.08325	2.7
325.08942	1.5
337.01965	4.2
350.94882	2.1
355.10028	100.0
355.19510	2.9
355.63785	1.4
365.37924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37135	0.8
52.39948	0.9
55.75954	0.8
59.11847	1.0
60.02134	1.3
64.56345	0.9
65.03918	2.1
69.36068	6.4
69.36479	2.0
71.04969	3.6
72.08137	0.8
85.02895	4.9
89.03875	1.0
91.05466	30.7
96.82004	0.9
111.71374	1.1
114.52198	1.0
119.04930	37.3
121.06448	1.0
129.05490	1.3
132.02058	2.5
147.03189	2.0
147.04379	34.2
147.08037	1.8
148.05092	1.0
149.02361	1.2
157.03993	3.1
159.08173	1.5
163.07501	4.2
164.04735	1.4
175.03880	49.9
179.07005	3.5
190.09746	1.2
207.06500	100.0
208.06827	1.9
236.10397	3.0
265.96838	1.1
277.89188	1.0
303.01486	1.2
332.00726	1.7
354.06430	1.2
354.19550	2.6
355.17520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1178
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03921	0.7
57.03426	0.7
60.04495	0.8
61.02893	0.8
67.05485	0.8
69.03426	1.7
69.48152	2.5
70.06564	0.5
71.04974	0.4
72.08118	0.3
72.14186	0.3
73.02894	0.8
77.03942	0.3
79.05477	0.5
81.03384	0.9
84.04493	1.5
84.08114	0.6
85.02892	2.7
86.09633	0.4
87.04442	0.8
91.05431	2.6
94.06554	4.8
95.04943	0.7
97.02882	1.1
105.03371	0.3
109.06518	0.4
116.98679	0.4
117.05727	0.9
118.06522	6.5
119.04916	0.4
120.08069	0.7
121.06504	2.2
122.05997	5.4
122.06836	1.7
127.03890	0.9
131.03668	0.3
134.05954	0.7
136.07545	0.4
138.05481	0.3
144.50856	0.3
145.04987	0.8
145.94337	0.4
146.05986	14.2
147.04381	0.7
147.06801	0.6
148.07510	0.6
150.05495	1.0
151.03958	0.3
153.01826	0.4
162.05508	1.2
163.06194	0.3
164.07048	6.6
174.05482	100.0
175.03961	0.6
175.05943	1.5
176.07039	1.0
192.06522	51.7
193.04909	0.4
193.06851	0.8
204.10173	0.4
205.10529	0.9
207.06483	0.7
234.07671	0.4
306.98483	0.3
316.35269	0.3
336.10751	1.1
354.11786	42.8
355.12338	0.6
364.01331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3362
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.71254	0.9
55.05509	5.2
56.05028	1.1
57.07069	7.8
58.02956	1.0
58.06592	13.8
58.07382	1.0
60.04510	2.3
67.05485	3.5
69.07063	11.8
69.27314	6.3
69.27743	2.8
70.02953	2.2
70.06583	4.1
71.04948	0.9
71.08621	5.8
72.04504	1.5
74.06083	1.5
79.05488	1.3
81.07045	9.1
82.06598	1.4
83.08606	7.8
84.08128	4.0
85.10173	2.2
86.06039	3.4
87.06834	1.2
93.07004	1.3
95.08604	9.6
97.06516	1.0
97.10167	6.9
98.09716	1.6
107.08582	1.1
108.08121	0.8
109.10128	4.9
110.35627	0.8
111.11674	3.8
123.10824	0.9
123.11696	2.7
125.13271	1.2
166.62468	0.7
178.86508	0.9
268.29965	0.8
294.31525	3.4
298.48914	0.8
301.45984	0.8
306.31564	2.3
307.29907	2.6
308.33105	2.1
324.32404	0.8
326.34131	2.6
336.32578	14.4
337.30798	1.8
354.33612	100.0
355.28143	3.0
355.34070	5.9
374.48035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.03928	3.4
55.01863	4.3
55.05507	12.7
56.96551	3.2
57.07061	7.6
59.04986	2.4
59.95701	1.7
60.20848	2.0
67.05492	20.8
68.41418	1.6
69.03421	7.0
69.07061	26.9
70.17481	8.1
71.04984	10.7
79.05484	19.9
81.03403	4.8
81.07048	100.0
83.04976	4.7
83.08599	8.9
85.02889	3.5
85.06535	5.5
87.04467	2.1
91.05482	9.3
93.07034	32.4
95.04972	13.3
95.08595	79.2
96.08965	1.7
96.38850	1.8
97.06514	6.2
97.10160	5.8
98.97546	3.0
99.04436	9.9
99.08076	2.5
105.07015	29.0
106.07349	4.7
107.04917	3.0
107.08588	37.5
109.06522	15.3
109.10147	31.9
111.08080	7.4
117.06969	3.8
119.08546	14.3
121.06487	6.1
121.10136	26.2
123.08035	13.4
123.11684	25.0
127.07558	8.0
127.11117	5.3
131.08574	9.9
133.10095	15.3
135.08076	4.4
135.11690	24.0
137.09601	5.7
137.13234	57.4
139.11172	2.2
141.12621	3.1
143.08571	2.1
145.10062	9.0
147.11674	19.4
149.09581	7.4
149.13242	12.4
151.11169	28.7
151.46794	2.1
153.12715	6.1
155.06975	3.5
157.10078	2.2
159.11673	20.7
161.13229	4.4
163.11171	7.7
165.12721	12.1
167.10689	1.8
169.10071	2.1
171.11664	3.6
171.73206	1.8
173.09599	2.5
173.13330	2.5
175.11145	6.5
175.14851	4.1
177.12703	9.7
177.16302	2.1
179.10641	13.2
181.12280	3.2
183.11690	3.4
183.13741	4.3
189.12621	4.3
193.12216	4.3
195.13792	3.1
198.13921	1.9
201.14816	7.6
201.16286	4.5
207.13771	3.1
213.16385	8.6
219.17470	2.2
225.16249	2.5
229.16025	2.5
229.19502	5.3
231.17390	3.2
237.18475	6.0
247.20590	14.5
254.09206	1.9
271.24246	3.4
281.22693	3.6
289.25177	7.7
299.23654	14.6
307.26514	1.9
317.24707	54.4
335.25766	56.9
335.29822	2.9
353.10181	4.4
353.16122	2.2
353.27063	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01861	2.8
55.05506	23.3
56.96561	3.4
57.03434	2.9
57.07060	6.5
59.04992	2.8
65.03925	1.5
66.83198	1.5
67.05166	2.1
67.05502	32.3
69.03413	5.7
69.07063	66.6
69.42905	11.5
71.04994	7.2
71.08605	2.6
73.06528	2.2
75.30785	1.3
79.05483	18.7
81.03418	3.6
81.07049	100.0
83.04979	14.3
83.08606	19.4
85.02905	2.5
85.06546	12.7
91.05468	15.2
93.07037	44.4
95.04952	11.7
95.08601	52.6
96.08952	1.3
97.02894	1.7
97.06532	13.5
97.10159	3.5
98.21533	3.0
98.97578	1.9
99.04452	12.4
99.08086	7.9
101.06046	2.2
102.96928	1.5
105.07024	55.6
107.08591	53.4
108.94672	1.3
109.06515	20.5
109.10150	55.8
111.08116	8.7
111.11702	11.5
115.07541	1.7
117.07030	2.8
119.08572	24.9
121.06472	4.0
121.10128	35.8
123.08060	15.6
123.11703	38.6
125.06041	1.6
125.09599	4.4
125.13211	2.2
127.07522	8.4
127.11182	19.6
129.06972	2.0
131.08539	6.7
133.10110	21.1
134.99614	1.6
135.08034	4.3
135.11674	23.4
137.09593	7.0
137.13258	5.6
139.07558	2.5
139.11208	2.7
143.08563	3.1
145.10097	14.9
147.11671	67.5
149.09610	12.8
149.13249	9.2
151.07516	2.0
151.11179	38.1
153.09082	3.0
153.12752	19.9
157.10170	2.8
159.11700	9.9
161.09570	1.9
161.13226	11.3
163.11183	11.2
163.14786	4.6
165.12740	41.4
167.10652	4.6
169.08646	1.6
169.10115	2.2
169.12219	4.7
171.11717	2.1
171.13748	1.9
173.09633	3.0
173.13234	3.1
175.11205	10.3
175.14790	2.9
177.12714	4.8
177.16344	2.1
179.10658	7.7
179.14256	2.4
181.12199	9.6
182.75435	1.4
183.13824	3.9
187.14746	2.2
189.12755	3.0
189.16386	3.3
191.09158	1.6
191.10703	5.6
193.12231	33.9
193.15875	2.2
195.17291	1.5
196.50627	1.5
201.16335	3.1
203.14366	1.9
203.17888	2.8
207.13841	8.9
209.18962	3.3
211.13229	3.4
215.12752	1.9
215.17938	1.9
219.17366	1.8
229.14330	19.8
237.18437	6.6
271.24136	1.7
275.23712	1.6
281.22333	2.2
289.25153	2.5
293.22864	2.6
299.23581	8.2
317.24734	23.9
335.12991	2.0
335.22025	3.1
335.25812	44.5
335.29852	2.2
353.17053	1.9
353.26898	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	353.2682
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
50.31655	1.6
51.56379	1.7
52.87432	1.6
53.03938	3.2
55.01858	2.9
55.05495	16.0
57.03424	2.3
57.07063	8.4
59.04994	4.4
60.53306	1.9
60.64517	1.6
67.05173	2.1
67.05500	27.9
69.03419	8.1
69.07062	44.9
71.04974	6.2
71.08623	4.5
71.59190	2.5
79.05482	18.1
81.03406	2.9
81.07047	84.3
83.04960	8.5
83.08618	11.3
85.06530	13.9
91.05470	14.6
93.07033	42.5
95.04963	10.0
95.07967	2.3
95.08596	47.6
97.06519	7.3
97.10135	4.9
99.04442	13.5
99.08107	1.9
101.05991	3.8
105.07028	28.0
107.08581	48.6
109.06496	20.6
109.10139	50.7
111.08066	5.5
111.11694	3.4
116.98620	2.2
117.07017	1.8
119.08564	16.8
121.06498	4.5
121.10136	36.2
121.10997	2.2
123.08059	16.8
123.11695	30.3
127.07549	12.3
127.11146	2.1
129.06996	1.9
129.68776	1.7
131.08556	6.8
133.10115	39.2
135.08098	2.6
135.11694	16.9
137.09572	2.2
137.13220	7.1
139.11203	2.8
145.10130	12.0
145.19315	1.8
147.11661	14.8
149.09601	6.3
149.13239	6.6
151.07585	2.4
151.11168	100.0
153.09090	2.8
153.12730	13.1
159.11678	7.8
161.09613	3.3
161.13252	6.1
163.11194	17.8
163.14818	3.9
165.12630	9.1
167.10646	3.1
169.12239	20.7
171.11719	2.5
173.13187	2.3
175.11206	3.0
175.14816	3.4
177.12703	3.2
179.10660	24.9
179.14154	2.7
181.12238	14.7
185.13141	2.1
187.14758	3.1
189.16441	3.0
191.10667	10.3
193.12202	4.0
193.15854	8.1
197.11662	2.8
199.14795	1.8
203.17963	7.6
207.13768	3.0
207.17316	3.0
209.11736	4.5
215.12717	14.4
219.17328	3.7
219.20976	2.5
221.19060	2.3
225.16388	2.7
243.17680	2.1
256.96106	2.0
261.18384	2.4
281.22470	4.9
289.25125	3.5
299.23605	9.7
317.24753	35.6
335.25778	52.6
353.26721	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03915	1.7
55.05503	16.0
57.03426	6.7
57.07075	6.3
64.82391	0.9
65.03928	2.6
65.79397	0.8
67.05495	95.6
69.07055	14.5
70.19814	4.3
71.04971	2.6
71.08588	1.7
75.04473	1.5
79.05483	40.1
81.07046	100.0
83.08597	7.5
85.06540	2.5
91.05459	18.3
93.07033	56.6
93.89567	0.9
95.04964	3.6
95.08593	74.3
96.08929	1.1
97.06522	3.3
97.10136	2.6
99.08061	2.5
105.07021	18.0
107.07852	1.9
107.08580	36.3
109.06494	1.7
109.10139	37.8
111.08068	1.1
113.09668	1.6
117.07008	9.6
119.08569	13.3
121.10127	32.1
123.11688	20.5
131.08551	19.8
133.10120	12.6
135.11674	24.6
137.09598	1.7
137.13246	7.5
139.11105	1.3
145.10097	13.8
147.11658	11.2
149.13239	16.9
151.11153	1.3
151.14792	2.0
153.12689	1.4
159.11665	15.3
161.13237	8.1
163.14815	11.3
165.12766	1.1
173.13254	15.2
175.14784	2.6
177.16364	4.1
179.14294	1.2
187.14764	8.7
193.04883	1.0
201.16331	2.6
205.15862	2.8
219.17464	1.3
233.22560	4.1
235.09407	0.9
243.21042	23.1
261.22107	89.4
262.22540	1.9
263.23758	1.1
279.23141	5.4
317.24533	1.1
335.25830	10.9
353.26755	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66418	1.7
53.03932	4.5
54.51796	1.5
55.05511	17.5
57.03426	4.1
57.07065	4.2
65.03929	3.3
67.05502	93.9
69.07059	13.2
69.42888	10.9
69.43307	3.3
71.04974	3.1
71.08627	2.5
79.05490	50.1
79.05957	2.5
81.07053	100.0
83.04937	2.3
83.08606	7.5
85.06509	2.0
91.05482	28.0
93.07040	64.2
95.04937	4.0
95.08606	66.7
95.09232	3.2
97.06522	3.3
97.10168	3.7
98.20709	1.6
105.07034	17.4
107.08594	45.2
109.06508	3.1
109.10153	34.2
111.08057	2.2
117.07018	8.5
119.08588	15.8
121.10136	30.6
123.11697	19.2
130.73019	1.6
131.08554	20.3
133.10114	14.2
135.11682	28.2
137.09589	1.7
137.13249	4.8
145.01572	1.5
145.10141	17.5
147.11668	12.0
147.46477	1.7
149.13229	16.6
151.14763	2.2
159.11713	13.6
161.13269	9.3
163.14812	8.4
173.13260	14.7
175.14714	3.6
177.16399	4.5
187.14806	9.1
191.14270	1.7
201.16353	3.8
233.22534	3.5
243.21051	18.4
261.22128	81.5
267.02365	1.8
279.23209	2.6
335.25772	5.5
353.26816	17.9
372.58026	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	2.3
55.05506	15.4
57.03425	7.4
57.07068	6.1
63.44398	2.1
65.03925	3.0
67.05498	93.7
69.07062	14.9
70.01523	12.0
71.05003	2.4
73.29538	1.8
79.05489	45.6
81.07051	100.0
83.08606	3.7
85.06534	2.7
91.05479	20.6
91.92151	2.3
93.07041	58.4
93.76602	2.6
95.04941	2.5
95.08600	81.3
97.10171	5.5
98.21459	2.4
105.07019	15.1
107.08594	33.5
109.10140	38.2
117.07031	8.6
119.08600	14.3
121.10129	30.0
123.08080	3.4
123.11711	21.8
123.93467	2.2
131.08580	15.4
133.10138	14.2
135.11674	30.9
137.13283	7.0
145.10112	15.1
145.27092	2.1
147.11670	9.8
149.13257	20.4
151.14803	2.4
159.11688	13.4
161.13254	9.4
163.14818	10.6
173.13252	20.7
175.14816	3.0
177.12698	2.3
177.16487	3.4
187.14851	8.3
201.16342	4.5
233.22638	5.2
243.21107	19.4
257.66818	2.8
261.22119	89.6
279.23248	6.3
335.25815	6.6
353.26779	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.05502	15.2
57.03429	4.3
57.07066	3.0
64.74871	1.7
65.03919	3.1
67.05499	100.0
69.07063	12.3
69.27060	13.5
69.27479	3.4
71.04987	2.1
79.05486	54.7
81.07050	96.4
83.08623	7.4
85.06535	1.9
91.05466	22.0
91.49242	1.6
93.07034	70.3
95.04955	4.3
95.08595	67.1
97.06503	4.1
97.10184	3.6
99.08068	2.1
105.07012	23.8
107.08586	40.2
109.06478	1.6
109.10147	39.0
111.08060	1.8
115.02678	1.6
117.07030	9.0
119.08569	15.5
121.10130	31.2
123.08093	1.5
123.11700	17.6
131.08551	23.3
133.10112	10.0
135.11673	26.3
137.09630	2.8
137.13226	6.7
139.11234	2.2
145.10091	16.8
147.11697	11.3
149.13257	21.3
149.14383	2.6
151.14844	2.0
159.11687	13.7
161.13264	10.1
163.14818	13.7
173.13210	15.0
175.14775	3.8
177.16437	5.5
187.14832	7.3
201.16315	2.3
233.22614	4.8
235.13579	1.4
243.21094	20.8
261.22113	84.7
262.22556	2.6
277.80142	1.7
279.23260	4.2
335.25745	3.8
353.26779	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	353.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78224	1.1
55.05505	2.4
56.96556	1.7
57.07034	1.2
67.05483	3.4
69.07057	2.2
71.48599	2.2
77.00865	1.7
79.05472	2.9
81.03406	1.2
81.07057	5.4
83.08603	1.9
91.05457	1.4
93.07047	2.6
95.08586	4.6
97.80311	1.0
105.07011	1.9
107.08594	2.3
107.97671	1.1
109.10134	3.2
119.02724	1.0
119.08553	2.8
121.10120	1.7
123.08044	1.3
123.11675	2.2
125.09650	1.2
133.60747	1.0
138.25320	1.0
151.11212	2.0
197.66412	1.1
233.12140	1.1
243.14438	2.1
253.12929	1.5
335.20560	1.7
335.25519	1.3
353.22922	100.0
354.23273	4.3
371.22723	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03917	2.9
53.99820	2.4
55.05500	15.0
56.77480	2.3
57.03421	5.5
57.07049	4.0
58.08636	2.2
67.05498	98.8
69.07063	11.3
70.84554	5.1
70.84938	3.6
71.04969	4.2
79.05479	42.8
81.07050	100.0
83.08606	9.6
91.05488	21.2
93.07033	46.5
93.42063	2.3
95.04929	2.7
95.08592	74.0
97.06516	5.0
97.10130	2.9
105.07021	16.7
107.08584	35.5
109.06519	4.1
109.10140	35.7
111.66428	2.5
117.06986	11.1
119.08575	16.7
121.10132	29.8
123.11694	26.9
131.08551	19.7
133.10114	13.3
135.11665	23.5
137.13232	9.7
138.59415	2.7
145.10092	11.7
147.11678	8.0
149.13245	18.8
151.11168	2.1
151.14830	2.6
159.11705	13.6
161.13234	10.0
163.14835	12.9
164.59427	2.4
173.13261	15.1
175.14822	3.2
177.16347	3.0
187.14799	12.0
201.16283	2.9
213.16557	2.4
233.18903	2.8
233.22469	3.6
241.49915	2.4
243.21011	19.0
243.64786	3.0
243.98982	2.9
261.22083	85.4
279.23123	6.4
282.56696	2.7
335.25723	10.5
353.26819	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.77525	2.2
55.05511	14.3
55.77615	2.3
57.03428	5.9
57.07057	6.2
67.05499	94.1
69.07057	14.4
70.22005	6.1
70.22402	4.1
71.04977	2.9
75.04478	2.4
78.05559	2.2
79.05487	43.8
81.07047	100.0
83.08615	8.8
85.06529	3.3
91.05460	26.8
93.07034	59.1
95.04961	3.1
95.08601	65.2
97.06509	3.4
99.08064	3.1
105.07026	17.2
107.08581	39.3
109.06489	2.6
109.10151	35.1
117.07009	11.6
119.08559	17.0
121.10140	35.3
123.11684	17.9
126.18385	2.3
131.08539	19.9
133.10085	15.4
135.11674	25.3
137.09505	2.5
137.13258	8.3
145.10081	14.5
147.11696	9.9
149.13252	17.8
159.11662	14.4
161.13280	8.9
163.14737	10.9
173.13219	18.1
177.16351	4.2
187.14825	10.2
212.60075	2.1
233.22575	4.7
238.97636	2.5
243.21085	16.1
247.60806	2.3
261.22131	86.4
262.22498	3.0
335.25723	5.6
353.26794	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	353.1718
Annotation	Ile-lle-OH
Peak:m/z	Relative Intensity
55.05482	0.4
56.96551	0.4
57.07053	0.4
60.95837	0.4
61.88963	0.4
67.05494	1.0
69.07047	0.7
70.02513	0.8
70.02924	1.3
73.98576	0.3
79.05478	0.4
81.07057	1.2
91.05462	0.5
93.07043	0.6
95.08611	0.7
98.21545	0.4
105.07030	0.6
107.08580	0.6
109.10115	0.7
119.08567	0.7
120.01832	7.8
121.10107	0.5
135.11760	0.6
138.02869	0.4
145.10172	0.6
173.05743	1.8
174.06480	1.9
175.07364	1.0
187.07312	1.0
188.08124	0.8
189.08859	1.2
201.08861	2.7
202.09598	1.0
203.10361	0.7
241.11949	0.5
273.12616	0.4
276.20447	0.5
283.11227	0.5
291.48877	0.4
293.23050	1.3
338.14899	1.1
353.17178	100.0
354.17627	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	353.1928
Annotation	Diptocarpidine
Peak:m/z	Relative Intensity
55.05507	3.5
57.07068	0.5
60.05638	1.4
67.02982	1.6
69.07056	1.0
70.06586	36.8
71.04989	8.7
72.08152	5.3
73.06556	2.7
73.06894	0.5
79.05495	0.4
79.61736	0.4
85.47092	0.4
95.06074	6.3
96.08109	0.9
97.07642	1.3
98.06050	1.2
99.04444	0.5
107.08595	0.5
112.08720	5.3
113.07104	1.5
114.10305	0.8
116.07088	1.4
123.09178	12.7
124.07601	1.1
130.09766	1.5
145.10146	0.4
146.70242	0.4
147.04445	0.5
150.06558	0.5
150.10255	1.1
151.08693	1.2
160.08727	0.4
169.09714	38.7
170.10237	0.4
175.03831	0.7
175.11850	1.1
178.08188	0.5
178.09740	8.5
179.08165	0.4
189.07692	0.8
196.10797	8.4
197.09210	21.3
200.01898	0.3
207.06517	0.5
208.10805	4.0
222.12431	0.9
229.93755	0.5
231.11217	0.5
232.14494	0.5
233.00842	1.0
245.13980	2.0
247.15527	6.0
248.13927	8.5
249.17126	0.5
250.15556	4.3
272.14996	0.8
275.15024	1.4
290.16190	0.9
291.14505	9.0
293.16046	7.1
294.14447	10.9
319.13980	11.7
325.07013	0.9
335.18228	0.8
336.16635	3.1
353.06610	1.4
353.19290	100.0
354.19647	1.8
358.78085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.01868	5.4
55.05515	13.4
56.96562	2.9
57.03429	4.5
57.07081	3.2
59.04997	5.7
67.05503	21.6
68.35855	2.0
69.03426	18.6
69.07061	26.9
71.05001	11.7
71.60339	4.3
77.24121	1.9
79.05492	27.3
81.03413	62.0
81.07053	60.2
83.04988	14.3
83.08591	3.0
85.02877	3.6
85.06540	9.0
91.05465	15.7
93.07031	54.4
95.04974	9.2
95.08595	23.9
97.02885	8.5
97.06517	10.3
97.10160	2.8
99.04464	14.5
99.08099	3.5
101.06025	2.5
103.05466	2.2
105.07030	25.3
107.04955	5.9
107.07867	2.5
107.08589	46.6
109.02871	48.4
109.06488	11.7
109.10143	22.5
110.03661	12.7
111.04446	12.6
111.08076	7.5
117.07009	7.1
118.68958	2.0
119.08560	14.5
121.06483	13.8
121.10136	33.0
123.04429	5.9
123.08073	3.6
123.11709	4.8
124.05196	2.3
125.02356	11.5
125.05988	2.8
126.03152	2.3
127.03907	30.1
127.07544	4.7
129.06963	3.8
131.04922	2.2
131.08629	3.8
133.10146	11.9
135.08018	10.1
135.11687	12.0
137.05951	2.6
137.09618	8.0
139.07516	3.1
139.11176	4.7
143.03371	2.9
143.07097	2.2
143.08594	3.1
145.10107	18.2
147.04419	5.0
147.08044	2.7
147.11676	6.7
149.05951	5.0
149.09636	11.5
151.11206	2.6
153.01846	5.4
156.13695	2.3
157.10062	2.5
159.11711	2.9
161.05965	4.6
161.09608	7.1
161.13304	2.6
163.11163	47.3
164.11511	2.4
165.09076	3.1
167.10727	12.9
169.08609	9.5
171.08141	2.3
173.09697	4.7
175.07642	2.4
175.11339	2.7
177.05583	3.5
179.10704	2.5
181.12250	9.9
185.22551	2.1
191.07065	4.5
191.10669	26.9
191.62778	2.3
209.11804	6.1
227.12703	3.1
257.06964	2.6
284.90091	2.4
289.14273	3.8
291.15906	3.0
293.13797	4.2
317.24805	5.2
321.11411	3.1
335.14929	6.9
335.25854	5.5
353.16003	100.0
354.16602	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
51.63193	0.6
56.96548	2.1
68.27110	0.7
71.49912	1.4
74.08054	0.6
78.87921	0.7
84.04490	1.8
85.02889	1.7
91.60390	0.7
98.97572	1.2
116.98583	1.0
119.01910	1.1
121.06504	6.6
128.98567	0.9
130.04959	1.2
145.14172	1.0
146.99666	0.8
153.01790	2.1
172.05885	0.7
173.03040	0.7
178.31134	0.9
185.04086	0.9
190.14348	1.7
190.98560	1.7
204.10197	2.9
208.99701	2.0
223.04617	0.9
232.99628	1.2
235.04437	0.9
241.05765	0.8
249.12230	0.7
251.00970	1.2
263.00699	0.7
265.05664	1.1
281.05042	1.5
293.05072	1.5
311.06393	0.7
327.71255	0.7
353.08398	100.0
354.08783	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	353.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
56.05035	1.6
65.05089	0.3
66.57397	0.3
67.05491	0.4
69.03426	0.6
70.06575	0.3
71.25900	0.6
72.08154	0.7
83.06098	0.8
84.04497	30.6
84.08124	1.0
85.02883	1.2
87.00845	0.5
89.03899	0.7
91.05470	2.3
93.07043	3.7
95.04946	0.8
97.02911	0.4
102.05537	0.7
103.05489	1.9
104.96451	0.3
107.04947	0.4
112.11224	1.5
117.03371	0.8
118.06545	0.5
118.97970	0.5
119.04918	0.9
121.06495	100.0
122.05984	0.5
122.06819	1.2
124.03941	0.9
128.98563	0.5
129.13850	1.5
130.04994	18.5
130.14235	0.4
134.85632	0.3
135.04433	0.4
138.09126	10.6
142.05003	0.6
145.02855	2.3
146.05963	0.6
146.99725	0.4
147.04381	0.6
152.03430	3.9
162.09106	0.4
163.03909	1.3
164.04205	0.5
170.04436	0.9
174.05492	4.8
175.03879	0.7
177.05423	2.2
178.05841	0.7
188.07100	0.6
192.06485	2.6
198.03966	4.1
203.11867	0.6
204.10184	42.2
205.10573	0.5
206.08212	0.3
207.06479	0.8
221.12852	5.2
238.98465	0.7
249.12323	3.5
250.10683	0.9
256.99637	0.5
263.13904	0.6
267.13242	1.6
289.11890	0.6
293.11441	0.8
307.12836	5.2
317.11493	0.8
335.12332	3.0
353.09885	0.5
353.13586	3.6
354.11902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12477	5.2
55.05501	9.7
57.07076	42.8
57.17959	6.2
61.02905	8.2
67.05498	11.0
69.07044	11.1
69.38676	35.8
69.39088	19.4
71.08629	32.5
72.08157	8.6
81.07042	18.0
83.08620	10.2
85.10161	27.9
89.06012	100.0
91.05473	7.1
93.07027	9.9
95.08593	18.9
97.02827	7.4
107.07053	7.3
107.08553	7.7
119.08544	6.4
123.11719	7.2
133.03493	9.8
133.08603	41.5
151.04459	10.8
156.98994	5.3
167.63948	6.2
177.11205	10.7
195.12283	54.3
217.05531	6.5
242.48874	6.8
335.27911	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01854	5.0
55.05500	19.5
57.03431	18.1
57.07055	4.2
64.56107	1.6
65.03943	1.8
65.42456	1.5
67.05497	57.9
69.03431	1.8
69.07057	17.7
69.55644	3.8
69.56046	12.2
71.01329	1.6
71.04990	4.2
71.08623	60.4
72.08137	6.1
79.05485	47.0
81.03400	7.3
81.06572	3.3
81.07047	53.6
83.04974	10.7
83.08591	10.0
85.06529	4.3
91.05470	36.8
93.07029	57.0
93.85514	1.7
95.04960	14.9
95.08598	37.2
97.06519	8.5
97.10136	4.5
98.21556	3.0
99.08082	38.7
105.07004	23.2
107.04936	7.5
107.08581	32.8
109.06495	3.9
109.10151	16.5
111.08057	3.8
113.09608	2.9
116.28728	1.6
117.06992	4.8
119.08572	22.4
119.74268	1.7
121.10128	24.6
123.08035	3.5
123.11642	2.7
125.09651	2.0
127.11153	3.2
129.07016	3.3
131.08530	7.4
133.10121	17.8
135.07970	1.7
135.11667	38.4
137.09616	4.5
140.98441	2.3
141.09073	2.1
143.08534	3.6
145.10091	5.2
147.11684	10.3
149.13225	9.4
151.11171	18.9
153.92026	1.8
157.10083	2.2
159.11670	5.8
161.13235	15.6
163.11147	7.7
163.14780	1.9
165.12733	2.8
173.13246	2.7
175.14790	3.4
177.12730	3.8
179.14290	100.0
180.14519	2.0
185.13072	2.4
189.00557	2.2
189.12708	3.6
221.15239	2.8
231.21024	1.9
235.16864	5.6
241.19496	2.9
259.20560	6.6
277.21603	35.2
351.18353	2.9
351.25189	35.6
351.33661	7.7
352.25168	2.4
369.19412	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.05512	29.9
57.03435	49.4
57.07073	8.2
57.94206	3.7
67.05173	4.4
67.05498	68.1
69.07072	27.3
69.99303	22.1
71.44086	4.2
72.08153	40.4
79.05486	69.6
81.07051	100.0
81.69003	3.7
83.04964	5.5
83.08598	20.7
85.06515	9.5
91.05466	60.4
93.07039	86.2
94.43548	3.8
95.04937	5.6
95.08596	68.5
97.06513	9.5
97.10159	4.9
99.08115	4.9
103.62660	4.0
105.07009	48.9
105.36080	4.3
107.08584	61.0
109.06538	9.6
109.10146	28.0
111.08022	8.3
117.06989	13.0
119.08575	44.0
121.10136	52.7
123.08056	5.5
123.11716	8.2
125.09679	4.0
129.06976	6.7
131.08594	22.2
133.10132	41.7
135.11665	39.0
142.07690	4.5
143.08640	4.3
145.10141	21.6
147.11696	42.0
149.13235	29.0
157.10109	7.9
159.11679	17.8
161.13242	25.8
163.11139	5.7
163.14833	6.9
171.11703	13.4
173.13260	10.2
175.14798	12.1
177.12883	5.4
179.14426	5.0
185.13266	11.4
187.14824	16.4
199.14891	5.9
205.15804	5.7
213.16370	4.8
231.17581	3.9
231.21072	5.8
241.19516	20.9
259.20544	60.0
277.21591	24.9
280.54156	4.5
333.24240	11.1
334.31134	19.9
351.25180	87.8
351.33636	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01857	3.1
55.05505	20.7
56.96551	12.3
57.03431	10.0
57.07055	4.1
59.15981	1.7
65.03945	2.7
67.05497	46.4
69.07062	15.4
69.61651	15.9
71.04991	2.2
75.04476	3.5
79.05486	72.3
81.07047	63.9
83.04944	2.8
83.08607	8.4
85.06562	4.7
91.05469	54.5
93.07030	95.7
95.04941	8.3
95.08594	41.0
97.06531	4.7
99.08100	3.0
99.86382	1.8
105.07014	56.5
107.08583	61.5
109.06515	3.6
109.10134	16.1
113.09605	2.1
117.03407	2.0
117.06981	13.4
119.08568	55.3
121.10122	46.3
121.98740	2.2
122.37199	2.2
123.11733	5.0
125.09669	3.2
129.07010	10.3
131.08537	26.1
133.10109	54.3
135.08089	2.5
135.11668	48.3
135.54573	2.1
143.08527	10.7
145.10085	20.1
147.11667	55.9
147.12781	4.0
149.09682	2.6
149.13249	33.0
157.10132	9.1
159.11684	18.3
161.13231	37.1
162.13469	3.3
163.11124	2.6
163.14841	9.4
165.05669	2.1
165.12770	2.4
169.10101	2.4
171.11678	16.4
173.13213	12.9
175.11188	2.0
175.14799	14.7
177.12708	4.0
185.13226	15.1
187.14899	3.3
189.12817	2.5
199.14803	8.9
201.16466	2.6
203.06134	2.2
213.16382	5.1
215.17950	2.3
231.17442	3.3
231.21129	7.5
241.19481	36.7
241.21735	3.6
259.20544	100.0
259.92950	2.6
260.20914	3.7
277.21579	17.5
310.76920	2.5
333.17410	7.5
333.24203	8.8
351.18637	25.1
351.25308	66.6
369.19443	26.6
374.20239	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22081	2.2
53.03949	2.8
55.01875	2.7
55.05507	16.1
56.96551	10.6
57.03424	8.9
57.07064	4.7
67.05496	52.1
67.72959	2.8
69.03429	2.7
69.07061	18.6
71.04961	3.7
71.08620	3.6
71.59741	5.0
72.08134	2.6
75.04462	2.9
79.05050	5.0
79.05483	58.2
81.07044	51.0
83.08596	9.6
83.26247	2.7
91.05472	62.0
93.07034	77.5
95.04966	9.7
95.08591	38.1
96.64462	2.9
97.06490	4.9
97.10151	3.0
99.08080	5.0
101.78871	3.0
105.07008	65.6
105.61958	2.9
107.08587	49.6
109.06545	3.5
109.10146	15.9
109.10789	3.0
112.89954	2.9
115.05443	2.6
117.07037	16.3
119.08568	52.5
119.09363	5.1
121.10131	40.8
123.11725	4.8
128.36459	2.7
129.06999	7.1
131.08546	21.6
133.10120	54.0
135.11676	36.2
143.08607	5.4
145.10100	24.3
147.11650	48.0
149.09586	5.0
149.13220	21.2
151.11232	3.4
157.10097	9.9
159.11685	22.7
161.13226	41.4
162.96992	2.6
163.11229	2.8
163.14787	12.1
165.12868	3.3
171.11717	14.9
173.13237	10.1
175.14818	18.8
185.13184	13.8
187.14824	6.3
189.12740	3.2
199.14771	8.3
213.16179	3.4
231.21078	10.2
241.19496	28.7
255.09093	6.0
259.20551	100.0
267.09070	3.5
269.10645	6.1
277.21567	9.4
279.44128	2.6
285.10086	9.6
321.92773	3.0
333.24289	7.0
347.56662	2.7
351.18179	8.9
351.25296	60.9
351.29739	6.1
369.19446	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
55.01856	1.9
55.05258	1.7
55.05502	19.2
56.70789	1.5
56.96537	1.6
57.03418	6.5
57.07059	4.2
58.96831	1.3
65.03923	2.9
67.05496	47.8
69.03394	1.3
69.07050	14.7
71.04967	3.5
71.08591	2.3
71.17075	2.2
71.17422	1.5
75.04454	3.7
77.03883	1.6
79.05479	62.6
81.06574	2.8
81.07043	54.4
82.91768	1.4
83.04964	1.4
83.08607	10.5
85.06518	4.1
89.69057	1.4
91.05467	62.6
92.89543	1.3
93.07031	77.5
93.33247	1.3
95.04426	1.4
95.04947	8.8
95.08595	36.8
97.06517	4.2
97.10126	4.1
99.08073	6.8
104.50407	1.5
105.04552	1.9
105.07013	69.7
107.08580	49.1
109.06487	3.7
109.10149	15.5
111.08048	3.0
113.09655	2.0
117.07021	17.0
119.08564	61.7
121.10131	33.4
123.08058	2.5
123.11697	4.4
125.09598	2.3
128.06224	1.8
129.06996	10.7
131.08549	25.4
133.10112	54.1
134.10411	2.3
135.08061	2.9
135.11667	37.7
136.12000	1.6
137.09625	2.2
143.08528	13.1
145.10100	26.6
147.11661	53.7
148.11940	2.0
149.09587	3.4
149.13249	21.0
151.11093	2.1
157.10077	11.1
159.11662	20.9
161.09543	2.4
161.13240	39.6
162.13626	1.5
163.11118	2.7
163.14809	8.6
165.12750	2.6
171.11687	15.1
173.13263	13.0
175.11165	2.3
175.14796	22.4
177.12720	3.5
179.14346	2.0
185.13245	12.6
187.14798	3.1
189.12729	2.3
191.14227	2.3
199.14758	7.9
203.14407	1.8
205.15656	1.4
213.16351	4.2
215.17943	1.7
217.15829	2.4
217.19463	4.4
231.17361	3.3
231.21071	10.9
241.19458	33.3
242.19797	2.3
259.20544	100.0
260.20770	5.3
277.21506	5.1
333.24292	2.2
351.21390	3.3
351.25226	51.8
352.25244	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01838	1.4
52.24211	1.3
53.03924	4.5
53.46693	1.2
53.55859	1.0
55.01857	1.3
55.05502	18.5
57.03433	10.0
57.07063	3.4
63.30923	1.4
63.65606	1.2
65.03913	1.9
67.05499	50.4
69.07065	21.7
70.16928	1.2
70.79447	1.8
70.79803	3.6
71.04968	4.1
71.08603	1.6
75.04465	3.1
79.05483	75.6
79.77806	1.3
81.07048	69.2
83.04964	4.4
83.08616	9.2
85.06509	4.1
86.25951	1.1
91.04880	1.9
91.05471	60.6
93.07033	100.0
95.04948	10.4
95.08596	44.7
95.09125	0.8
95.09215	1.3
97.06499	3.8
97.10156	3.2
99.08069	4.5
103.05449	2.4
105.07015	60.4
107.08579	60.7
109.06503	3.6
109.10162	18.2
111.08041	1.9
113.09599	2.2
117.06986	10.7
119.08566	59.5
120.77384	1.6
121.10127	47.7
123.08043	1.7
123.11687	4.2
128.06264	1.4
129.06981	9.3
131.08557	22.0
133.10121	55.1
135.08020	2.9
135.11679	49.5
137.09619	1.9
137.13121	1.4
142.07753	2.0
143.08504	10.6
145.10095	24.5
147.08067	1.2
147.11664	52.6
149.09605	3.3
149.13246	27.2
151.11136	2.7
157.10121	11.4
159.11661	21.0
161.13239	42.0
163.11162	5.4
163.14809	12.1
165.12805	1.7
171.11644	14.9
173.13258	12.9
175.11192	3.1
175.14801	19.7
177.12747	4.2
179.14281	2.6
185.13254	14.1
187.14752	4.7
189.12679	2.4
189.16399	2.4
194.44400	1.3
195.13893	1.5
199.14754	8.8
201.16478	1.5
203.14207	1.5
213.16364	4.3
215.17979	2.3
217.15941	1.3
217.19460	5.5
231.17340	4.2
231.21075	10.1
235.16885	1.6
241.19476	41.0
243.21230	1.4
259.20541	99.9
260.20944	3.5
261.22220	1.9
277.21643	18.2
296.32953	1.3
333.24240	9.1
351.25272	66.9
352.25470	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20983	2.7
53.03941	5.4
55.01870	7.5
55.05498	25.6
56.96543	7.2
57.03174	4.5
57.03429	46.5
57.07055	5.2
67.05497	77.9
69.07058	25.8
69.77799	17.9
71.04968	6.9
71.08621	7.5
77.77910	2.5
79.05054	4.9
79.05485	70.6
80.04995	3.2
80.05838	2.8
81.07049	84.3
83.04947	5.5
83.08582	14.2
85.06544	8.3
91.05464	53.0
93.07031	100.0
94.06499	2.9
95.04959	12.6
95.08043	4.9
95.08602	64.1
96.64393	2.5
97.06523	10.9
97.10158	8.7
98.17187	2.7
99.08072	7.2
103.00775	2.8
105.07019	59.3
107.08585	58.6
108.08905	2.6
109.06503	8.5
109.10152	24.5
111.08072	6.4
117.07017	17.7
119.07696	3.6
119.08557	56.7
121.10126	49.5
123.08038	4.6
123.11703	7.6
129.06979	8.0
131.08566	27.9
133.10110	41.5
135.11691	43.9
137.09564	3.8
143.08543	9.5
145.10112	26.4
147.11673	35.9
149.13232	27.5
151.11176	4.8
155.98703	3.4
157.10132	8.8
159.11676	18.4
161.13228	23.6
163.11200	7.7
163.14807	7.7
165.12691	5.1
168.99510	2.9
171.11723	11.5
173.13257	11.2
175.14818	12.4
179.14305	6.9
185.13240	10.0
187.14807	12.8
189.12737	2.8
199.14803	6.5
203.14326	3.2
203.17944	3.2
205.15866	6.2
213.16298	3.2
221.18996	3.3
231.21024	6.8
241.19435	22.8
259.20538	58.3
275.20108	3.6
277.21545	28.8
278.22198	3.3
292.22754	7.2
328.08679	3.4
333.16150	4.0
333.24173	6.7
351.12741	5.9
351.17252	11.1
351.21365	8.1
351.25244	76.4
352.25125	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	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.41217	0.4
55.05498	1.3
56.96540	1.3
59.13210	0.6
60.04512	0.6
67.05486	1.7
69.03422	0.7
69.07056	2.2
71.59119	0.8
77.00910	2.5
79.05505	2.6
81.03412	0.9
81.07046	5.2
83.04992	0.8
83.08617	1.1
85.02883	1.0
85.06568	0.7
91.05463	2.2
93.07037	1.7
95.01944	1.4
95.08600	2.6
97.06445	0.8
105.07033	4.1
107.04905	0.5
107.08582	1.9
109.06482	1.2
109.10120	2.3
112.11152	0.4
119.04900	0.5
119.08581	2.8
121.10128	2.5
123.08105	0.6
123.11668	1.1
125.09642	0.5
131.01886	0.5
131.08548	0.7
133.10104	2.1
135.11684	1.2
137.09575	0.6
143.08606	0.7
145.10146	0.7
147.04398	0.7
147.08118	0.5
147.11659	0.9
149.09583	1.4
151.11163	1.0
153.01891	0.6
157.10208	0.5
158.99805	0.5
159.11766	0.6
161.09665	0.5
167.10643	0.7
173.13335	0.6
175.03842	0.5
179.10670	0.6
185.06615	0.9
191.14328	0.6
201.09702	0.5
207.06586	1.1
213.09734	1.2
215.11162	3.4
219.10789	0.5
231.10747	2.3
233.12299	1.1
241.12796	0.8
243.14377	2.1
247.67142	0.4
253.12813	2.7
257.12378	0.6
271.13870	3.6
281.12463	0.7
287.11328	0.5
315.18228	0.9
333.19141	4.8
351.21362	100.0
352.21725	3.7
369.21313	1.7
374.21848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01862	2.5
55.05503	19.7
57.03424	11.0
57.07063	5.0
66.29949	1.7
67.05499	51.3
69.07053	19.5
69.44386	6.0
69.44810	10.8
71.04959	5.4
75.04457	3.3
79.05484	69.2
79.05952	3.4
81.03395	3.1
81.07050	68.1
83.04944	2.8
83.08612	9.1
85.06534	6.2
91.05473	56.9
93.07032	92.0
94.07317	2.0
95.04945	8.7
95.08596	40.3
97.06505	2.9
97.10128	6.0
98.20660	3.3
99.08066	3.7
101.43889	1.7
105.07018	53.3
107.08578	62.3
109.06486	3.7
109.10146	16.8
111.08025	2.1
115.05392	1.8
117.07004	11.2
119.08569	59.9
121.09308	3.0
121.10128	46.1
123.11703	5.0
125.09628	3.0
127.07488	1.9
129.06999	12.1
131.08554	21.8
133.10114	51.1
135.08017	2.8
135.11673	42.7
137.05914	5.5
137.09612	2.5
137.13144	1.9
143.08543	10.3
145.10089	24.1
147.11661	47.1
149.13237	30.3
157.10077	9.1
159.11671	22.5
161.09665	3.1
161.13239	48.5
162.02672	1.7
163.11116	6.1
163.14803	11.0
165.12796	2.1
171.11679	14.8
173.13197	15.2
175.11128	3.4
175.14777	21.4
177.12767	4.8
185.13211	14.0
187.14824	4.9
189.12717	4.1
189.16295	2.4
199.14796	9.7
201.16386	1.9
213.16393	3.2
215.17902	2.8
217.15820	3.0
217.19434	6.5
231.17345	3.3
231.21022	9.2
235.09724	2.0
241.19495	39.5
259.20541	100.0
277.18079	3.6
277.21585	15.2
319.09552	8.1
320.10553	2.2
333.24200	7.8
351.12253	3.5
351.21194	12.2
351.25238	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01860	2.3
55.05485	3.3
56.96550	2.6
58.06579	3.9
60.04488	2.1
67.05493	8.3
68.05010	1.9
69.03425	2.1
69.07044	5.5
69.86472	5.0
69.86887	2.3
69.94852	1.2
77.00884	2.5
79.05489	7.0
79.86220	1.4
81.03396	2.8
81.07050	10.0
82.06566	2.2
82.07349	1.4
83.04936	1.5
83.08604	3.1
84.08129	2.0
85.02877	1.6
90.31216	1.5
91.05453	5.3
93.07051	6.6
95.08585	6.1
96.08125	13.5
97.08436	4.4
97.10133	2.3
100.07629	1.7
105.06992	4.8
106.54019	1.3
107.08561	6.6
109.06519	2.1
109.10149	2.9
112.07555	2.3
117.06992	1.6
118.07351	1.7
119.08585	4.4
121.10136	5.3
123.08033	2.0
128.10652	2.1
129.06958	1.4
131.08501	2.8
133.10104	3.8
135.11678	3.9
137.05862	1.5
137.18988	1.3
145.10141	1.6
147.11681	2.3
148.01520	1.4
149.09639	1.7
149.13264	2.7
151.11119	1.7
153.01749	1.3
157.10085	1.5
159.11665	2.1
159.36604	1.5
161.13174	1.7
173.13255	1.8
185.13225	1.4
202.29510	1.4
212.27695	1.5
223.40384	1.4
235.11711	1.6
243.14355	1.3
255.12936	1.4
257.12515	1.6
259.20581	1.7
273.13541	2.3
274.18665	3.7
292.19989	2.9
309.22604	2.2
333.19424	1.5
344.55145	1.4
351.21207	100.0
351.51065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05505	19.1
56.96562	3.7
57.03434	4.6
57.07069	4.9
65.03916	2.4
67.05492	34.8
69.03410	3.7
69.07064	19.0
71.04993	4.0
71.08631	4.5
71.59786	2.8
79.05487	63.2
81.03379	2.0
81.07050	53.3
83.04975	3.0
83.08613	6.3
85.06547	4.5
91.05469	57.6
91.06002	4.5
93.07034	69.1
95.04967	6.7
95.08604	33.6
97.06507	6.2
97.10175	2.4
99.08080	4.0
105.07016	63.8
107.04971	2.6
107.08580	43.3
109.06518	4.8
109.10151	10.1
113.09533	2.0
116.98515	2.0
117.07009	14.1
119.08570	62.6
121.10128	34.1
123.08087	2.7
123.11717	3.4
125.09597	3.5
129.07011	9.5
131.08549	27.2
133.10120	45.8
135.08157	2.6
135.11687	26.9
137.09621	2.6
143.08540	10.4
145.10101	20.6
147.11681	50.7
149.09613	4.1
149.13246	21.9
151.11125	2.1
156.63812	1.9
157.10101	10.2
159.11725	16.5
161.13237	39.7
163.11125	2.4
163.14835	8.1
171.11687	13.9
173.13220	11.8
175.11176	3.9
175.14821	19.1
177.12714	3.4
185.13248	12.1
187.14830	5.1
189.12798	3.0
199.14769	10.4
203.14232	2.4
213.16411	3.1
215.17976	2.6
216.69463	2.4
217.19556	4.9
221.05878	2.5
231.17470	4.4
231.21133	7.5
241.19499	40.2
259.20551	100.0
277.21628	4.5
321.51865	2.8
333.24466	3.5
351.04953	5.5
351.21555	5.7
351.25336	46.9
352.25314	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35258	6.9
55.01867	9.6
55.05505	41.6
55.67707	6.4
57.03426	27.9
57.07058	10.2
61.02912	19.9
67.05499	79.6
68.48069	8.1
69.03409	12.6
69.07063	52.6
69.33843	7.5
69.34150	75.6
71.08604	22.8
72.08146	14.2
73.02906	15.7
78.13329	6.6
79.05481	58.5
81.03407	10.0
81.07048	100.0
83.04939	8.2
83.08583	19.6
85.02899	22.1
91.03952	17.6
91.05478	53.3
93.07026	60.5
93.11131	6.7
95.08585	65.2
97.02889	22.6
97.06533	10.5
97.10144	7.3
98.20719	14.6
99.08062	15.1
103.02462	7.9
105.07005	45.4
107.08571	36.2
109.06468	9.5
109.10121	32.2
116.98464	10.9
117.07039	16.0
119.01892	9.1
119.08567	32.2
121.10126	36.0
128.98492	10.5
131.00006	43.5
131.08585	11.0
133.03456	28.6
133.10132	29.9
135.11670	32.8
136.63269	7.0
140.98466	53.4
143.00017	17.0
143.08476	10.0
147.11664	28.1
148.99025	9.1
149.01076	11.7
149.13266	14.9
151.04510	17.3
151.11128	11.2
153.99202	19.7
154.99971	20.6
157.01631	8.8
158.99487	12.3
161.02902	16.1
161.13229	24.3
163.14812	12.0
165.12794	12.2
167.00027	21.9
174.98961	30.5
175.04564	10.4
177.02072	9.5
178.99991	7.4
179.14305	34.1
181.01620	8.0
183.03113	13.0
185.00992	11.4
186.98979	7.7
187.04515	9.7
189.00500	37.0
198.00635	8.4
199.02643	10.9
201.00523	14.8
203.02119	23.7
209.01079	15.3
211.04555	8.1
212.02115	8.5
223.02583	12.0
223.57866	7.5
236.69969	7.1
259.20511	31.2
277.07507	10.0
277.21686	19.9
289.20975	6.8
295.08502	11.2
321.22748	27.2
333.13507	85.9
334.13666	8.9
334.30923	8.4
351.14386	9.0
351.25284	55.3
351.29410	9.7
351.33868	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	351.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
56.96553	1.0
61.99926	0.4
67.05494	2.5
69.03426	1.4
69.07044	2.1
71.59167	0.6
77.00890	1.9
79.05472	2.2
81.03417	1.1
81.07046	3.9
82.89200	0.4
83.04961	0.5
85.02905	0.9
85.06531	0.6
91.05468	2.6
93.07026	2.5
95.01933	0.8
95.04942	0.8
95.08611	2.8
97.02884	0.5
98.97549	1.1
105.07018	2.3
107.08576	2.2
109.06541	0.6
109.10150	1.9
111.08063	0.6
116.98563	0.7
117.41528	0.5
119.08573	1.7
121.06487	0.5
121.10133	2.0
123.08068	0.5
123.11710	0.9
125.09604	0.8
133.10088	1.3
134.99686	0.8
135.11650	1.8
143.08617	0.5
145.10060	0.7
147.11716	0.8
149.09644	0.7
151.11148	1.6
157.10144	0.7
159.11626	0.8
163.03864	0.7
167.10649	0.8
177.00691	0.6
179.10715	0.6
195.10097	0.9
201.09735	2.1
203.31886	0.5
207.06499	1.2
213.09602	2.6
215.11345	0.6
219.10757	1.7
231.10760	5.7
241.09171	0.7
245.12289	0.6
253.12912	1.0
261.12625	1.5
266.58701	0.5
271.13840	1.0
281.13367	0.6
308.06699	1.0
315.18042	1.9
323.09189	0.6
333.19043	5.8
333.24011	0.5
351.21350	100.0
352.21545	2.5
356.20410	0.8
369.21161	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	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	7.5
57.03428	2.9
64.94259	2.7
65.20974	2.7
67.05480	9.0
69.07036	3.6
70.06574	3.6
70.95428	5.9
71.04977	8.9
79.05463	11.1
81.07037	25.4
82.14991	2.9
83.08600	10.5
84.08134	3.2
85.02847	14.4
86.09700	8.5
91.05470	7.3
93.07027	44.9
95.08577	22.4
97.02861	4.7
97.06522	19.8
101.09602	4.0
105.06989	4.8
107.08582	61.3
109.09437	4.6
109.10127	37.1
111.16561	3.2
112.11247	3.9
123.11681	16.1
127.03961	3.2
132.62849	3.1
135.10675	6.5
135.11676	100.0
141.12680	6.5
153.12715	50.2
171.13760	46.5
235.02321	2.9
253.09114	3.6
277.55630	3.9
350.07205	4.3
350.26685	3.8
351.08054	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	351.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03434	0.8
58.50544	0.7
58.70496	0.8
61.83278	0.8
65.87211	0.8
68.99763	1.3
70.89958	1.8
77.03921	1.4
78.04681	1.2
79.01833	1.0
79.05488	3.4
81.03421	1.0
88.47184	0.7
89.03912	2.5
91.05470	1.2
95.04942	1.3
98.02867	0.8
103.05448	2.1
105.03389	4.5
106.04185	1.2
107.04959	2.7
117.03348	2.3
119.04900	1.0
121.02874	1.2
131.04900	1.2
133.02853	8.5
134.03633	1.2
135.04413	3.3
137.02376	1.9
145.02866	4.6
147.04395	3.2
151.03951	1.6
153.01831	1.0
159.04388	1.8
161.02330	18.1
162.03091	3.6
163.03885	24.3
165.01807	3.9
165.05502	1.2
173.02332	4.7
175.03870	1.5
177.01779	2.8
177.05431	1.4
178.02641	1.9
179.03381	4.6
181.01364	1.0
187.03909	1.6
189.01813	32.2
190.02563	5.3
191.03372	60.8
192.03879	1.6
193.01274	4.4
193.05014	2.1
201.01790	4.7
203.03381	1.8
205.01376	1.9
205.04913	1.3
206.02115	3.2
207.02950	5.5
215.03462	1.9
217.01297	36.3
218.02051	12.7
219.02847	20.5
220.03334	0.9
221.00891	1.4
221.04419	16.7
229.01357	1.6
231.02837	1.4
233.00832	1.0
233.04451	1.9
234.01627	2.3
235.02357	8.9
236.66478	0.8
243.02916	2.2
245.00795	34.9
246.01389	3.3
247.02347	16.5
249.03923	73.6
250.04344	1.8
253.03423	1.3
257.00760	2.0
261.03955	4.2
263.01804	9.9
271.02310	2.0
273.00275	42.6
274.01022	11.3
275.01794	12.1
277.03378	10.1
279.04919	2.1
289.03403	5.1
291.01257	6.2
292.02063	1.8
295.96240	0.8
300.99756	29.2
302.00452	0.9
304.99930	1.0
305.02948	8.2
307.04575	2.3
308.06693	1.4
319.00720	5.5
329.54559	0.9
333.02213	3.7
351.03436	100.0
352.03766	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03952	0.6
55.01869	0.6
55.05507	5.6
57.03887	0.4
57.07065	1.3
65.03936	0.4
67.05496	5.1
69.07058	10.8
69.92050	2.3
71.04981	1.2
71.08624	0.7
73.06513	0.5
79.05476	4.1
81.07047	8.3
83.04952	1.0
83.08606	3.8
85.06531	1.0
91.05456	2.0
93.07033	5.6
95.04958	0.9
95.08592	7.3
97.06530	2.0
97.10172	1.1
99.08058	0.6
105.06995	3.0
107.08587	4.9
109.06507	10.5
109.10165	3.5
111.08071	1.6
116.43019	0.4
117.06998	0.9
119.06011	0.4
119.08562	3.4
121.06473	0.4
121.10125	4.0
122.07248	0.8
123.08054	65.6
123.11665	2.0
124.08371	1.0
131.08575	1.1
133.10130	2.9
135.08020	5.3
135.11685	1.8
137.09602	4.1
137.13214	0.8
145.10132	1.3
147.11684	2.3
149.09601	1.5
149.13217	2.1
151.11211	0.7
159.11667	1.2
161.13245	1.2
163.11194	0.6
165.12813	0.5
167.14238	0.5
173.13248	0.8
177.12814	0.7
179.14294	10.5
233.18965	1.5
275.19943	1.6
289.25229	1.1
293.21078	17.5
294.21399	0.5
307.22559	0.9
331.26248	4.0
349.27325	100.0
350.27615	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	349.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19222	0.9
55.05502	2.3
57.07068	42.1
67.05492	1.4
69.07055	3.2
71.08626	28.3
71.59212	1.8
73.06541	4.0
74.40878	0.9
79.05489	1.6
83.08591	1.5
85.10169	21.7
89.06020	100.0
91.05470	2.0
91.07580	1.0
93.07063	1.4
95.08595	1.4
97.10145	3.5
99.11710	4.0
105.07039	1.7
106.25325	1.0
107.07060	10.1
107.08598	1.1
109.06520	0.9
109.10158	1.4
116.08219	1.0
119.08552	1.2
121.10137	1.4
123.08058	3.0
130.08633	3.2
133.08586	32.0
137.68449	1.0
147.11740	1.3
151.08560	1.2
151.09608	5.0
155.17921	1.8
159.11604	1.4
177.11237	5.4
179.14310	2.6
179.42244	0.9
195.12257	20.9
199.26155	1.1
202.18585	1.1
267.78497	1.1
276.92999	1.2
349.23508	2.1
349.29639	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	349.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
58.06594	9.9
58.99567	0.3
64.12840	0.3
65.03938	0.9
69.33897	2.2
69.34314	0.8
70.06584	1.8
72.08143	7.4
79.05455	0.4
81.03414	0.4
81.07043	1.4
84.04480	0.8
84.08133	35.7
85.08470	0.3
86.09693	0.8
86.99015	0.3
87.02673	0.9
91.05467	6.1
92.73062	0.3
98.09681	1.4
98.20674	0.5
100.07639	0.4
103.26127	0.3
107.04942	0.4
112.11230	100.0
113.07105	0.4
113.11567	1.3
119.04926	22.8
120.05215	0.3
122.02728	1.1
127.12293	0.3
129.13861	60.3
130.04999	0.3
130.14185	0.8
132.01114	0.4
140.01512	0.3
145.02841	0.3
147.04390	83.8
148.04745	1.2
155.11778	1.0
159.04613	0.4
160.76732	0.3
177.05464	0.7
189.01631	0.3
201.91876	0.3
202.08923	1.4
203.07330	0.5
203.11775	1.1
203.22293	5.3
204.10181	24.7
205.10527	0.6
218.11728	0.5
261.00333	0.4
275.17508	16.5
276.18005	0.4
292.19983	0.3
331.24954	1.3
332.23334	3.4
349.09045	0.8
349.25940	90.8
350.26328	3.0
374.37894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03946	0.9
55.05508	5.6
57.03427	1.0
57.07069	1.2
67.05495	6.4
67.10981	0.7
69.06722	0.9
69.07062	10.8
70.72748	1.5
71.04985	1.2
76.81875	0.8
79.05483	5.6
81.07047	9.3
83.08601	4.7
85.06505	1.2
91.05450	3.0
93.07037	6.6
95.08605	8.2
97.06501	2.1
97.10155	1.1
103.13521	0.7
105.07022	5.3
107.08567	5.6
109.06502	9.7
109.10140	4.2
111.08069	2.0
117.07005	0.8
119.08575	4.3
121.10117	4.8
122.07317	0.8
123.08051	66.7
123.11706	0.9
131.08554	2.4
133.10094	3.5
135.08060	5.5
135.11674	2.8
137.09631	4.0
139.57452	0.7
145.10118	1.5
147.11696	1.5
148.17529	0.8
149.09599	1.3
149.13263	2.0
151.11133	0.9
156.41577	0.8
159.11678	2.3
161.13194	1.8
163.11230	1.2
173.13289	1.2
179.14291	5.1
186.18867	0.9
233.19034	1.4
275.20084	4.6
281.21069	1.1
289.24991	1.4
293.21085	18.5
331.26248	2.9
349.27335	100.0
350.27637	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03918	0.3
55.05505	2.5
57.06826	0.4
57.07077	4.5
67.05493	3.5
69.04185	0.4
69.07059	2.5
71.04979	0.4
71.08628	2.6
71.32981	0.7
79.05500	2.7
81.07047	6.1
83.04956	1.0
83.08598	1.1
85.06546	2.2
91.05479	1.9
93.07047	3.1
95.04971	0.7
95.08599	5.2
97.06533	1.0
97.10136	0.5
99.08084	1.5
105.07025	2.7
107.08591	2.8
109.06512	17.2
109.10139	2.3
111.08080	0.8
117.07034	0.5
119.08576	2.8
121.10126	1.5
122.07251	1.9
123.08066	24.4
123.11716	0.6
124.08398	0.5
131.08527	0.7
133.10109	1.5
135.08022	3.0
135.11624	0.8
137.09615	1.0
143.08533	0.5
145.10098	0.8
147.11685	1.2
149.09583	0.5
159.11696	0.9
161.13219	0.8
162.03645	0.3
163.14804	0.5
165.12761	0.7
171.11763	0.4
173.13208	0.5
175.14792	0.7
177.16472	0.5
179.14301	100.0
180.14639	2.3
193.15865	2.7
205.13988	0.3
232.53436	0.3
233.19049	0.6
275.20120	0.4
289.25259	0.4
293.21228	0.6
296.04639	0.4
331.26239	2.8
349.27362	78.5
350.27704	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01868	5.5
55.05508	14.0
56.96288	1.8
56.96558	27.9
57.03185	1.5
57.03434	17.1
57.07064	2.9
61.02916	1.4
65.03917	1.8
66.15427	1.1
66.78634	1.2
67.05498	40.6
69.03407	3.4
69.07059	22.4
71.04977	3.9
71.17077	1.7
71.17415	1.7
71.95248	3.4
72.96040	1.2
74.97575	1.4
79.05056	2.1
79.05488	31.7
81.03403	3.0
81.06573	2.3
81.07047	42.5
83.04971	8.9
83.08608	5.8
85.02908	1.8
85.06509	1.6
91.03925	1.3
91.05472	33.1
91.43007	1.3
93.07036	38.2
95.04955	11.1
95.08594	25.2
97.02898	1.3
97.06510	6.9
97.10163	2.6
98.97558	1.1
105.07014	35.6
107.04945	10.7
107.08577	23.8
109.06500	12.8
109.10155	10.1
110.97566	1.2
111.08093	2.6
115.05412	1.4
116.98599	1.5
117.07006	11.2
119.07783	1.7
119.08566	19.1
121.06473	15.6
121.10114	14.4
123.08039	6.2
123.11694	4.4
125.09533	1.4
128.98599	3.1
129.06976	4.5
131.08559	20.8
133.06450	4.1
133.10117	22.1
134.99677	1.4
135.08058	8.1
135.11658	8.6
137.05994	1.3
137.09555	2.8
141.06975	2.0
142.07779	1.3
143.08556	4.1
145.06474	2.7
145.10123	16.4
146.99626	4.4
147.08011	5.0
147.11674	14.3
149.09572	5.3
149.13239	4.6
151.11115	6.9
155.03773	2.0
155.07359	1.2
155.08540	1.9
157.10095	3.9
159.08014	3.0
159.11690	9.2
161.09621	4.4
161.13242	5.1
163.11177	7.8
169.05267	1.4
169.10132	2.7
171.03259	3.0
171.11729	3.7
173.09628	3.4
173.13252	7.0
175.11172	4.1
175.14778	1.8
177.12770	3.3
181.05316	1.7
182.10814	1.3
183.11639	3.9
185.04819	3.3
185.13280	2.0
187.11172	2.6
187.14801	1.9
189.04324	2.1
189.12758	2.0
191.14272	3.5
197.04877	1.6
197.13187	2.4
199.06479	5.7
199.14774	1.4
201.12697	4.0
203.05882	3.4
205.19533	1.8
207.13744	3.4
211.06416	2.0
213.07864	5.6
215.17868	2.9
217.07362	6.4
219.13751	4.5
225.07979	2.8
227.09410	1.4
229.07416	9.6
229.19466	3.6
231.09058	8.3
233.18954	2.3
236.09575	1.4
237.14886	1.4
239.17931	4.7
243.09041	3.0
247.08501	8.5
247.20547	4.9
253.11040	1.3
255.09029	6.4
257.18964	16.3
261.09967	1.8
267.09067	6.5
269.10547	11.1
269.17468	1.7
273.10104	5.0
275.20026	100.0
276.20395	6.0
285.07718	1.3
285.10205	11.8
287.11627	5.1
293.20975	6.9
303.11133	2.3
331.15805	7.0
349.16904	21.0
349.23624	31.7
349.27124	1.1
350.17151	3.3
350.23688	1.6
367.17877	11.3
372.18726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01848	7.4
55.05509	40.2
56.96559	40.4
57.03435	22.6
61.02907	4.5
65.03941	4.9
67.05167	8.2
67.05500	100.0
69.03418	6.6
69.07063	32.0
70.94648	14.8
71.04977	5.4
71.95245	5.0
75.76225	4.0
79.05482	84.6
81.07050	89.0
83.04959	18.9
83.08598	16.5
85.02869	7.7
85.06538	6.3
91.04960	6.7
91.05475	83.0
93.07037	82.0
95.04935	18.4
95.08595	47.6
97.06509	10.4
97.10141	10.5
105.07009	91.5
107.04934	19.7
107.08575	55.4
109.06519	12.2
109.10143	30.6
110.97678	4.7
111.08086	5.6
116.98572	6.4
117.07001	28.4
119.08553	64.8
121.06489	9.6
121.10129	25.7
122.91219	4.8
123.08045	6.9
123.11665	8.9
125.09635	4.9
128.19826	5.3
129.06944	5.8
131.08556	38.7
133.10109	60.0
134.99631	11.0
135.08005	12.7
135.11678	13.8
137.09587	7.8
145.10123	31.0
146.99625	15.7
147.11653	30.3
149.09579	18.2
151.49461	4.3
157.10127	11.3
159.11732	24.0
161.13219	13.6
161.75542	4.8
171.11649	5.9
173.13237	18.0
183.11678	7.4
189.04292	4.7
189.94109	4.5
197.13239	6.4
203.05841	7.2
213.07880	9.3
217.07455	6.6
229.07442	17.2
229.19514	13.0
231.09013	13.3
239.17841	10.0
243.09082	12.8
247.08524	10.2
255.08864	6.1
257.18884	13.9
261.09995	7.2
269.10605	5.8
273.10077	6.6
275.20068	75.8
276.20209	6.3
331.15677	22.1
332.20670	4.8
349.17252	93.5
349.23233	43.8
350.17361	14.0
350.23938	6.4
367.18103	29.4
372.18445	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
53.50751	1.0
53.84706	1.0
55.01861	6.2
55.05502	19.3
56.96554	1.8
57.03429	13.7
57.07069	2.7
65.03922	2.1
67.05495	33.9
69.03400	1.9
69.06713	1.7
69.07063	22.2
71.04975	2.8
71.08601	1.1
71.17675	2.4
71.72462	0.8
78.53054	0.9
79.05482	28.2
81.03429	1.6
81.07043	39.0
82.07359	1.1
83.04971	9.7
83.08614	3.7
91.05470	26.8
93.07029	38.0
95.04960	11.3
95.08598	25.4
97.03885	1.0
97.06497	4.6
97.10143	3.0
104.02977	0.9
105.06296	1.5
105.07018	31.1
106.07359	1.5
107.04939	10.5
107.08577	21.2
109.06502	12.9
109.10137	10.5
111.08096	2.3
117.06995	10.6
119.08569	18.9
121.06487	13.4
121.10139	11.3
123.08056	5.7
123.11692	3.7
125.09618	1.7
129.06998	2.4
131.08562	21.9
131.72658	0.9
133.06467	3.1
133.09096	1.9
133.10103	23.4
135.08031	6.2
135.11655	7.4
137.09581	2.6
139.07556	1.2
141.06943	1.1
143.08556	4.0
145.06529	1.9
145.10106	15.4
146.53769	1.0
147.08032	3.4
147.11670	14.3
149.09601	6.9
149.13239	4.1
151.11153	4.9
155.08572	2.5
157.10121	4.3
159.08015	2.9
159.11653	8.8
161.09590	4.4
161.13246	3.7
163.11205	7.4
165.12735	1.9
169.10086	2.6
171.11725	3.0
173.09596	2.3
173.13222	6.0
175.11206	3.9
175.14824	1.4
177.12685	2.4
183.11678	3.3
187.11179	2.7
187.14827	2.0
189.12817	1.7
191.14288	4.1
197.13226	2.5
201.12688	5.2
202.39574	1.1
205.19527	1.5
207.13835	4.8
215.17929	2.0
219.13786	3.3
229.19487	1.7
233.18942	1.9
239.17902	5.1
247.20583	4.3
257.18970	16.8
275.20023	100.0
276.20285	4.9
293.21060	5.8
331.19244	1.1
349.16617	1.7
349.20096	1.4
349.23669	28.9
350.23987	2.2
371.07764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.1
69.07040	1.0
69.36230	7.5
73.34418	0.8
79.05462	1.5
81.07063	1.2
83.08573	1.1
91.05467	1.8
93.07026	1.8
95.04906	0.9
95.08601	2.0
98.21487	1.8
105.06994	2.1
107.08570	1.5
109.10099	1.2
119.08533	1.2
123.08037	1.5
130.69078	0.8
140.60745	0.8
145.94377	0.8
157.09988	1.0
275.20023	1.1
349.23447	100.0
350.23749	6.3
367.23001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01854	8.9
55.02106	2.3
55.05307	2.4
55.05506	26.1
56.96563	12.5
57.03190	3.6
57.03434	49.0
57.07072	3.5
67.05165	3.7
67.05501	55.6
69.03403	6.0
69.07059	32.3
71.04980	5.9
71.40535	4.8
79.05489	68.0
81.03394	6.8
81.06583	3.5
81.07053	68.9
83.04948	5.2
83.08609	14.3
83.28340	2.2
85.02886	4.4
85.06514	8.5
91.03912	2.6
91.05474	89.1
93.07038	77.1
94.07334	3.0
95.04967	17.3
95.08042	4.3
95.08600	51.5
97.02882	2.7
97.06510	10.7
97.10133	6.1
98.97588	2.9
99.08080	6.3
103.05439	4.9
105.07021	91.4
106.07322	3.9
107.04923	6.8
107.08588	49.9
109.06493	10.4
109.10153	20.7
111.08053	6.9
112.11233	2.9
113.05935	2.8
113.09660	2.2
115.05405	4.5
115.09242	2.3
116.98581	6.6
117.07009	43.3
119.08572	80.8
121.06499	8.2
121.09412	2.8
121.10146	27.8
123.08057	5.8
123.11678	5.2
125.09601	7.8
127.03918	12.4
128.06221	5.3
129.06998	23.4
129.13858	3.5
130.07809	2.9
131.04858	2.6
131.08560	52.5
133.10130	45.1
134.99525	3.5
135.08014	8.0
135.11668	9.1
137.09575	6.9
141.06958	4.3
142.07806	3.2
143.08560	16.0
145.04828	2.5
145.10106	71.1
147.04414	6.1
147.08043	4.8
147.11679	40.2
149.09616	22.9
149.13254	5.4
153.01785	7.1
154.26944	2.4
155.08507	4.6
157.10124	33.0
158.10672	3.2
159.10440	4.3
159.11688	64.6
160.12108	2.7
161.09575	7.6
161.13257	28.0
163.11154	9.1
165.09038	4.1
167.10667	3.6
169.10150	12.2
171.11646	15.1
173.13261	23.6
175.11150	6.5
175.14784	8.2
177.00728	4.8
177.12607	4.1
183.10210	3.8
183.11630	12.7
185.13243	33.3
186.13672	2.7
187.11183	2.8
187.14845	5.0
189.11066	3.5
189.12669	3.6
191.14273	4.7
195.10109	3.7
197.13245	8.9
201.12711	3.2
201.16327	3.3
203.14226	11.0
209.13121	3.4
211.14850	3.3
213.16295	4.5
215.17856	4.6
219.17451	20.9
221.15393	4.1
229.15849	4.8
229.19502	10.9
239.17955	26.7
247.16896	2.7
257.19000	56.8
259.09369	2.6
267.08966	4.9
275.20074	45.4
276.20285	3.3
277.18137	3.1
279.11349	2.3
285.09915	7.2
313.17914	3.4
315.02258	2.4
331.19141	3.3
331.22598	9.1
349.20041	6.0
349.23660	100.0
350.23972	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	349.2009
Annotation	18-oxo-Resolvin E1
Peak:m/z	Relative Intensity
51.24189	3.7
53.03938	9.1
55.01871	5.2
55.05502	23.6
56.24545	4.0
56.96558	6.8
57.03413	3.9
57.07054	4.2
58.77345	4.1
63.96109	3.9
65.03943	5.7
67.05505	42.6
69.03426	14.0
69.07065	24.1
70.06615	5.7
70.16032	8.2
70.16445	11.7
71.04984	4.2
79.05488	77.1
81.03409	16.4
81.07055	56.9
83.04955	21.1
83.08628	8.8
84.08128	8.7
85.06558	6.0
88.76116	3.6
91.05476	79.0
92.09057	3.9
93.07049	74.3
95.04961	30.2
95.08600	33.3
97.02892	8.5
97.06525	15.7
98.97557	4.5
103.05423	5.3
105.07023	96.0
107.04948	44.6
107.08595	54.4
109.02870	6.5
109.06516	29.7
109.10149	70.8
111.04431	4.7
111.08068	10.6
112.11243	17.8
115.05434	11.1
116.06270	4.9
117.07004	41.5
119.04933	11.0
119.08587	76.1
121.06503	16.4
121.10134	100.0
123.08087	22.9
123.11729	8.9
125.05988	19.5
125.09602	6.6
127.03913	6.3
127.07525	4.9
128.06190	7.4
129.06956	21.0
129.13872	8.7
131.08566	60.7
133.06487	18.4
133.10133	67.9
135.08064	33.2
135.11662	23.1
137.09616	41.7
139.07498	5.2
139.11143	4.5
141.07016	9.4
142.07745	12.2
143.08580	30.7
144.09357	7.3
145.06531	12.4
145.10114	59.1
147.04401	15.7
147.08028	21.3
147.11700	21.8
149.09608	78.8
151.07555	16.3
151.11217	12.9
153.01840	6.7
153.09070	5.1
155.08572	15.4
156.09343	8.7
157.06454	5.6
157.10135	28.4
159.08051	25.2
159.11711	47.0
160.08826	6.5
160.12425	5.8
161.09627	15.6
161.13222	20.0
163.07521	13.4
163.11118	7.9
165.09215	5.3
165.12825	5.1
167.08533	7.2
169.10138	23.8
170.10919	5.4
171.08051	6.7
171.11682	19.4
172.12535	5.0
173.09644	12.7
173.13283	18.8
175.07573	7.0
175.11180	43.8
175.14799	6.3
177.09143	19.8
177.12560	5.7
179.10638	4.8
181.10117	6.6
183.11713	29.1
185.09616	5.3
185.13251	18.4
187.11212	17.2
187.14796	68.7
189.09209	5.0
189.12770	15.5
191.14374	5.9
193.10205	11.6
195.11725	7.8
197.09671	6.7
197.13281	16.1
198.14000	5.1
199.11180	12.6
199.14891	6.7
201.12682	5.5
203.10667	6.6
207.11722	9.7
209.13339	4.5
211.11217	12.5
213.12769	6.3
215.10806	7.6
215.14265	19.6
217.15805	4.6
223.14725	7.6
225.12749	4.9
225.16403	11.9
229.12202	6.0
237.16547	5.2
239.18051	11.5
249.16521	9.4
253.15831	8.8
255.17555	5.0
267.17410	25.9
271.17059	5.1
277.15704	5.4
283.17053	6.0
285.18512	58.7
295.16934	21.9
303.19644	23.1
313.17966	34.4
331.19040	60.5
331.22644	7.6
349.13812	5.7
349.19705	10.1
349.25931	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	349.2007
Annotation	Longirabdolide E
Peak:m/z	Relative Intensity
51.31221	1.3
53.03940	2.4
54.70952	1.4
55.01870	3.1
55.05511	10.0
56.96554	3.3
57.03420	1.3
57.07060	1.9
58.06586	1.4
58.75145	1.4
59.15199	1.4
65.03929	1.9
65.33274	1.5
67.05500	21.2
69.03421	6.1
69.07072	12.1
70.79036	3.3
71.04985	1.6
79.01855	4.5
79.05481	28.5
81.03403	3.8
81.07052	26.3
82.68322	1.4
83.04983	3.9
83.08602	5.9
84.08138	4.7
84.96019	1.9
85.02894	4.4
85.06532	1.8
91.05476	37.4
93.07041	34.7
95.04927	7.9
95.08591	17.2
97.02882	5.4
97.06522	5.2
98.09637	1.4
100.11246	2.3
103.05478	2.3
105.07021	38.9
107.04958	6.3
107.08592	29.6
109.02875	2.8
109.06495	8.2
109.10151	61.7
109.10908	3.1
111.04417	4.2
111.08083	2.5
112.11230	8.9
113.02357	2.4
115.05429	3.7
116.06165	1.4
117.06999	14.7
119.04947	5.1
119.08572	28.0
121.02867	3.0
121.06493	9.7
121.10133	100.0
122.07272	2.6
123.08048	5.5
123.11702	6.1
125.02362	2.0
125.05969	11.9
125.09602	3.7
127.03934	2.3
128.06232	2.1
129.05513	2.4
129.06985	6.0
129.13876	5.2
131.08562	33.0
133.06471	4.3
133.10114	22.4
135.08067	15.3
135.11655	6.9
136.08817	1.6
137.05951	1.9
137.09605	39.4
141.06996	2.9
142.07663	2.5
142.35042	1.5
143.03362	5.2
143.08553	7.1
145.06476	3.3
145.10098	11.6
147.04430	11.0
147.07988	7.4
147.11676	7.8
149.05983	1.8
149.09605	75.8
151.07492	2.4
151.11153	9.7
153.01816	45.2
154.02109	2.8
155.08543	3.9
156.09315	1.6
157.10136	8.0
159.08069	5.8
159.11659	8.9
159.80872	1.3
161.09656	6.7
161.13231	6.1
162.10345	1.8
163.07509	8.7
163.11157	5.3
165.09122	4.1
167.07039	41.4
167.08293	1.5
167.10661	1.7
169.10120	5.0
170.10971	2.6
171.08026	1.7
171.11668	5.4
173.13252	6.5
175.11198	5.8
175.14825	10.0
177.09096	10.5
177.12767	2.5
177.16365	8.6
182.10797	1.7
183.11716	3.7
185.09596	2.7
185.13182	3.9
187.07573	1.8
187.11180	3.0
187.14784	4.9
189.12717	5.5
190.13438	2.4
191.10559	2.0
193.10149	1.9
195.10075	3.3
195.11740	2.1
197.13242	2.9
199.11288	1.5
201.16296	1.9
203.10684	3.3
203.14369	4.7
207.11690	1.9
211.11197	2.2
215.10609	1.6
217.12283	2.2
219.17349	1.9
225.12563	1.8
225.16270	2.4
226.98599	2.3
227.17717	1.9
229.12206	3.6
239.17810	3.6
243.32437	1.5
249.16286	2.0
257.11786	3.6
257.18771	3.2
267.17450	5.7
269.10501	1.7
271.13455	1.7
285.18423	7.8
295.16971	8.1
303.01730	3.1
303.04819	12.1
303.19543	12.5
305.39346	1.5
313.17923	23.1
323.48093	1.7
331.19067	29.5
331.22641	1.8
332.19144	1.7
340.99982	2.1
349.08047	3.0
349.20139	2.8
349.23575	1.6
349.26077	5.4
359.00681	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	349.199
Annotation	Durumhemiketalolide A
Peak:m/z	Relative Intensity
53.03927	0.9
55.05500	3.0
55.73975	0.9
56.96546	3.7
57.03420	1.5
61.02917	0.9
61.73165	0.8
67.05199	1.0
67.05493	9.0
69.03403	1.7
69.07065	4.6
69.48413	7.4
71.04980	1.8
79.05493	5.5
80.58330	0.8
81.03410	6.2
81.07049	9.4
83.04968	1.9
83.08598	1.8
85.02870	1.0
85.06544	4.6
91.05475	7.0
93.07024	10.4
95.04952	3.0
95.08598	5.1
97.02882	2.5
97.06504	0.9
97.10152	0.8
98.21475	1.2
98.97584	1.8
100.54118	0.9
105.07024	8.7
107.04924	1.8
107.08570	9.5
109.06496	4.0
109.10147	13.5
111.04442	1.5
111.08047	1.6
116.98595	1.3
117.06987	1.9
119.08571	7.3
119.17286	0.9
121.06510	1.1
121.10122	9.8
123.08025	1.4
125.05956	1.0
125.09640	0.9
129.07034	1.4
131.08498	4.6
133.10118	7.4
135.08008	3.3
135.11687	1.8
137.05725	4.9
137.09595	18.6
139.11108	2.0
143.08566	1.6
145.10121	2.0
147.08047	2.2
147.11649	2.9
149.09602	12.4
149.13216	1.7
151.07498	2.0
151.11168	2.2
155.08481	1.1
157.10135	2.1
159.07993	1.3
159.11678	3.0
161.09625	2.1
161.13275	2.9
163.11208	0.9
165.09128	0.8
169.10133	0.9
171.11610	1.1
172.36833	0.9
173.13240	1.7
175.11108	1.5
175.14854	1.4
177.09196	4.9
183.11691	1.6
189.12721	2.7
189.16292	1.9
199.14827	2.5
201.12605	1.2
203.14268	1.4
206.14857	0.9
215.11177	0.9
217.15868	3.6
221.11389	1.1
224.15494	1.0
225.16331	0.9
235.13170	1.5
235.59528	0.9
239.17877	1.4
241.15709	0.9
253.12819	2.2
257.19113	1.4
267.17413	0.9
271.13724	1.3
275.20010	1.8
285.10156	1.7
285.18524	2.0
295.16925	1.8
313.17877	3.4
331.18942	5.4
349.19821	100.0
350.20193	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2006
Annotation	Longirabdolide E
Peak:m/z	Relative Intensity
53.00325	0.9
53.03933	2.5
53.66648	1.0
55.01872	2.4
55.05499	8.4
56.96553	2.1
57.03444	1.7
57.07070	1.9
59.05018	1.3
65.03939	1.7
67.05160	2.0
67.05495	20.2
69.03423	3.2
69.07063	14.1
69.42804	10.1
71.04989	1.8
79.05485	21.7
79.05943	1.1
81.03405	2.9
81.07047	21.6
83.04967	3.4
83.08607	4.5
84.08130	1.3
85.02892	2.5
85.06529	1.3
91.05471	28.6
93.07033	32.6
95.04962	7.0
95.08595	12.0
97.02879	4.4
97.06527	3.4
97.10201	1.6
98.97576	1.3
99.04456	1.2
103.05450	1.5
105.07019	34.0
106.07877	1.2
107.04950	3.7
107.08585	24.6
109.06496	9.3
109.10140	57.4
111.04440	1.7
111.08073	2.5
112.11245	3.2
113.02364	1.9
115.05449	2.9
116.06199	1.8
117.07005	8.6
119.04947	1.6
119.08554	26.3
121.06507	5.0
121.10127	100.0
122.07227	1.9
123.04445	1.9
123.08074	6.3
123.11699	6.2
125.06011	1.5
125.09621	1.4
128.06250	2.1
129.07008	5.8
129.13834	1.3
131.08557	20.7
133.06517	2.4
133.10106	16.3
135.08049	13.2
135.11644	6.3
137.06004	1.6
137.09602	33.3
139.03897	1.5
141.06973	1.5
142.07764	2.3
143.08521	5.8
144.09418	1.3
145.06479	3.4
145.10120	9.2
147.04468	3.1
147.07988	6.2
147.11678	8.4
149.09604	68.7
150.09987	1.9
151.07593	3.3
151.11142	6.2
153.01811	1.3
155.08525	2.8
156.09319	2.2
157.10124	8.6
159.08109	6.3
159.11659	8.2
161.09581	4.2
161.13194	3.8
163.07533	7.6
163.11179	3.7
163.14873	1.4
165.09169	2.4
167.06976	2.0
168.09267	1.6
169.10130	2.9
170.10919	2.5
171.11658	6.4
173.09595	2.3
173.13226	5.6
175.11183	2.7
175.14799	11.7
177.09064	9.6
177.16351	10.3
181.10184	1.4
183.11690	4.1
185.09610	1.4
185.13258	4.0
187.14810	3.2
189.09200	1.6
189.12755	6.7
191.14409	1.3
191.18024	1.7
197.09641	2.0
197.13240	2.5
201.16342	1.4
203.10785	2.1
203.14299	1.8
209.13367	1.7
211.14908	1.7
212.93642	1.1
215.10753	2.5
225.12772	1.8
225.16440	3.5
229.12228	2.1
239.18082	2.1
241.13680	1.2
249.16539	1.8
253.15866	2.2
257.18939	4.5
267.17487	4.1
275.20090	2.6
285.18362	7.2
295.16956	5.7
303.19550	11.5
313.17889	18.1
331.18991	23.1
331.22522	1.5
349.20071	2.1
349.23761	3.5
349.29440	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.198
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.01863	0.5
55.05492	1.1
56.96549	0.5
57.55124	0.4
66.59829	0.4
67.05490	1.7
69.07060	0.9
70.41429	0.6
70.41817	0.7
77.00904	0.6
79.05482	1.8
81.07043	2.4
83.04964	0.4
83.08604	0.9
91.05459	1.7
93.07023	1.6
95.08612	1.2
96.08114	1.8
97.02887	0.5
97.06508	0.7
98.97564	1.0
101.62966	0.5
105.07012	1.5
107.08582	1.3
109.06484	0.4
109.10171	1.1
111.13454	0.4
112.07570	0.6
117.06994	1.2
119.08558	1.8
121.06461	0.7
121.10117	1.1
128.10675	0.5
129.06993	0.5
131.08568	1.3
133.10121	1.5
134.07133	0.4
135.07967	0.4
137.05739	1.8
137.09515	0.4
145.10043	0.7
147.04359	0.5
147.11584	0.5
149.09631	1.2
157.10066	0.5
159.11769	0.6
177.09030	0.5
201.09712	1.0
219.10875	0.7
221.11452	0.8
253.12830	2.2
257.12271	0.9
257.18994	0.9
261.14609	1.4
271.13809	2.1
275.20047	1.0
279.14508	0.6
313.17459	0.5
331.18576	0.6
349.19821	100.0
350.19940	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13454	1.5
53.14914	1.3
56.96563	54.6
67.05495	4.2
69.07060	1.6
69.71893	10.6
71.95259	11.1
74.97602	2.4
79.05482	4.6
81.07047	4.4
84.96037	3.6
88.05373	1.6
91.05482	3.9
93.07042	4.0
95.08584	1.7
96.75824	1.4
97.96813	1.7
98.97585	3.7
105.07026	3.5
107.08617	2.1
109.06567	3.0
109.10206	1.8
110.97534	12.9
115.00695	1.6
119.08596	2.3
119.91986	1.4
121.06495	1.4
123.55626	1.4
128.98589	25.4
129.99385	2.8
131.00122	2.0
131.08597	2.2
133.10132	2.4
133.98889	1.4
143.00140	6.9
145.01814	2.2
146.99640	23.2
147.03333	1.4
148.00423	8.7
149.09579	2.4
153.02281	1.7
155.03810	3.9
157.01680	2.3
160.00420	5.4
161.01196	11.0
161.98373	1.5
165.00713	5.6
166.01537	2.3
167.03773	1.8
169.01726	1.9
169.05347	1.9
169.56287	1.5
171.03264	6.0
173.01210	3.0
173.04958	3.3
175.02783	2.9
179.02136	1.7
179.99533	1.7
181.01639	1.9
181.05328	2.3
183.03300	3.1
184.04031	2.3
185.01309	2.1
185.04845	5.1
187.02782	2.0
189.04343	8.9
191.06003	1.6
197.01178	7.5
197.04871	3.1
199.06400	21.9
201.00716	3.9
201.04266	3.4
201.08078	8.2
202.05153	2.0
203.05925	12.2
204.03088	2.0
211.06372	9.3
213.07915	2.1
215.02312	15.2
215.05807	3.4
216.03061	2.0
217.07449	38.7
219.08998	5.6
222.07890	2.5
223.02789	2.1
223.06331	2.1
227.05959	5.1
229.07466	97.3
230.07852	3.9
231.08943	2.3
233.03381	1.7
239.05899	10.0
240.06721	5.3
241.07472	6.7
244.06201	2.3
245.06934	4.3
247.08527	85.4
248.08987	1.9
252.09180	8.8
255.09044	2.5
257.06961	28.9
258.07745	25.3
259.08463	12.9
267.09018	3.3
269.10718	1.9
270.10165	5.3
273.10217	2.0
275.07947	7.1
275.20032	8.4
276.08832	16.4
277.09509	4.1
280.08633	2.3
281.09308	2.3
282.10052	2.3
285.10101	6.9
290.06689	2.2
304.71167	1.6
307.15714	4.1
313.14551	2.5
327.50433	1.6
329.12155	1.5
331.11960	2.9
331.15762	35.4
349.16824	100.0
350.17188	4.3
367.17905	55.4
368.18137	2.9
372.18381	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93415	0.8
55.05497	1.2
55.73162	0.9
56.96563	41.7
57.93544	0.9
58.18729	0.8
60.60307	0.7
66.59356	0.9
67.05509	2.6
68.39764	0.8
69.07059	10.7
69.54211	4.6
69.54624	1.9
71.95265	4.8
72.96052	1.5
74.97602	2.2
79.05491	3.4
81.07053	3.2
91.05467	2.9
93.07027	3.4
95.08604	1.9
97.06507	1.2
97.96787	1.3
98.21574	1.3
98.97567	1.1
105.07034	2.0
106.90535	0.9
107.08580	1.8
109.10178	1.0
110.97569	3.6
115.97898	0.9
116.98575	3.3
119.08566	1.4
121.10149	1.7
123.01177	2.0
128.98590	9.5
131.00005	1.4
131.08591	1.2
133.01649	1.0
133.10176	1.6
134.99649	1.3
135.11737	1.3
137.02730	1.1
140.98451	1.9
141.02196	2.2
143.00139	1.0
145.01634	1.1
145.10109	1.0
146.99657	13.9
147.03262	1.1
147.11717	1.2
149.01134	1.2
155.00000	1.7
155.03845	2.1
157.01677	1.3
159.03310	1.0
161.01212	3.0
165.00717	3.8
167.00047	1.2
169.01666	2.9
171.03276	2.8
173.04875	1.7
174.98904	1.7
175.02692	1.3
177.04376	1.2
181.01639	1.2
181.05371	2.1
183.03255	1.6
185.01222	1.0
185.04877	2.6
187.02721	2.9
189.00620	1.5
189.04391	3.2
191.05899	1.7
193.03804	1.1
195.06857	1.4
199.02567	1.2
199.06416	7.3
201.04318	2.2
203.04187	0.9
203.05930	5.2
205.01949	1.0
205.07492	2.8
209.04747	0.9
211.06386	2.8
217.07472	14.0
219.07092	1.2
222.07983	1.3
223.02887	4.4
223.08438	5.4
225.04300	1.6
225.08040	3.9
229.07494	3.3
231.09012	1.0
237.04312	2.1
237.08005	5.0
239.09546	2.8
241.03632	1.4
243.09088	4.7
251.09526	3.8
253.11107	3.3
255.09023	23.3
257.10715	2.3
263.09723	1.1
265.11307	1.3
267.09177	1.3
269.10596	3.4
271.12167	2.1
273.10092	17.7
275.20044	1.6
277.11108	4.2
278.10773	2.2
279.08978	2.3
279.12534	1.3
280.09808	6.8
281.10614	3.4
295.12073	1.5
296.11713	1.0
298.10693	3.2
299.11630	2.4
303.11511	1.2
303.16275	1.2
307.15610	1.0
313.14804	1.2
321.17261	2.2
327.76917	1.0
331.15756	38.1
332.16055	3.3
349.13458	5.4
349.16852	100.0
350.17184	5.6
367.17911	27.6
368.18231	2.2
372.18420	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	349.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03770	0.9
69.03417	1.4
69.37522	2.2
69.37938	6.3
84.08138	1.7
85.02907	2.5
97.02901	1.3
101.00878	6.0
112.11304	0.8
113.00857	2.2
119.01907	23.9
120.02084	1.0
129.66505	0.8
131.01889	20.4
133.03516	3.2
137.03004	3.9
143.01962	2.0
144.99863	0.9
145.03529	2.6
149.02946	5.8
153.01903	2.8
155.01987	3.6
161.02937	4.7
168.99785	5.8
169.06854	2.9
173.02933	8.1
180.94958	1.1
180.99919	1.4
185.02995	1.6
187.00858	8.9
187.07928	2.1
188.09277	1.5
196.99409	3.8
199.00821	5.2
200.01125	1.2
203.03914	1.3
203.05518	1.5
205.09129	2.5
208.06036	1.1
213.02571	1.5
215.00323	18.3
216.00671	0.9
219.03418	2.0
221.05188	1.1
227.00410	1.1
229.01936	6.8
231.03587	3.0
233.01723	1.1
241.02110	3.0
245.01564	1.4
247.02977	25.2
248.03329	2.3
259.02985	6.3
260.03314	1.0
275.07343	1.3
277.04254	2.3
289.04214	3.3
315.13422	1.0
317.03714	1.7
331.10208	3.8
349.11197	100.0
349.14645	10.9
350.11707	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36102	2.0
65.42221	2.4
66.09220	2.2
70.25580	9.7
70.75072	2.3
85.85462	2.4
87.59406	2.5
96.05920	2.8
119.01886	6.6
127.03841	2.3
131.01910	9.2
149.02971	3.5
173.02986	5.5
187.00958	4.6
215.00343	6.0
221.04935	2.4
247.02995	9.9
259.07755	3.1
291.39154	2.2
299.13577	2.4
299.89157	2.3
331.09799	4.9
349.10873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36102	2.0
65.42221	2.4
66.09220	2.2
70.25580	9.7
70.75072	2.3
85.85462	2.4
87.59406	2.5
96.05920	2.8
119.01886	6.6
127.03841	2.3
131.01910	9.2
149.02971	3.5
173.02986	5.5
187.00958	4.6
215.00343	6.0
221.04935	2.4
247.02995	9.9
259.07755	3.1
291.39154	2.2
299.13577	2.4
299.89157	2.3
331.09799	4.9
349.10873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03383	0.7
84.08150	0.8
85.02865	0.7
91.51917	0.6
98.21566	1.9
101.00887	2.1
112.11214	0.8
119.01900	7.0
127.05787	0.7
131.01897	6.3
132.02049	0.8
133.03447	1.1
137.02972	1.3
143.01917	0.9
149.02972	1.4
155.01926	0.9
161.02934	0.9
168.99785	1.6
169.06854	2.0
173.02983	2.0
187.00925	3.0
187.05757	1.6
187.07898	2.2
196.99370	0.9
199.00905	1.5
203.05307	1.1
205.09010	1.3
215.00273	4.4
216.00754	0.9
219.03648	1.1
221.05174	0.8
229.01912	1.7
229.92987	1.0
231.03491	1.0
247.02994	6.3
259.03131	2.1
259.07956	1.6
277.03973	0.9
289.04337	1.2
331.09988	3.1
349.11087	100.0
350.11575	3.7
362.65942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56308	0.7
58.06590	4.1
58.58352	0.8
64.45793	0.8
70.06583	1.7
71.17196	2.1
72.08163	4.2
81.07042	1.6
84.04483	1.8
84.08136	17.9
85.02908	1.0
86.09656	0.8
91.05476	3.9
98.21317	0.8
112.11230	53.3
115.98886	0.9
119.04930	10.5
121.58115	0.9
122.02693	1.4
129.13863	32.8
136.23753	0.8
147.04393	47.7
155.11797	1.1
172.10852	1.0
177.03258	0.9
185.04193	57.9
187.03630	17.7
202.08887	2.0
203.11832	0.9
203.22388	1.6
204.10178	12.3
261.00284	2.0
261.06131	0.8
275.17459	9.3
332.23346	1.8
349.08902	100.0
349.25928	51.0
350.09225	1.7
372.30750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
56.96534	0.8
57.03431	2.0
61.02900	3.1
61.66017	0.7
67.05500	2.1
69.03425	6.5
70.92171	2.1
71.04989	1.2
73.02902	1.1
81.03413	3.6
84.04485	0.8
85.02897	28.6
86.09681	1.5
87.04501	0.9
91.03947	0.9
95.04937	3.5
97.02880	10.1
98.98490	1.1
99.04409	1.6
109.02872	2.0
123.04416	100.0
124.04734	1.3
127.03884	5.9
136.06175	77.7
137.04570	0.8
137.06531	1.0
144.04042	3.3
145.04980	4.8
151.03891	26.6
153.01825	1.4
153.20024	0.8
164.99492	1.7
168.06589	0.9
169.04944	52.3
176.08141	1.1
180.08739	3.7
186.05083	2.7
186.07631	3.1
188.08119	1.9
214.06136	1.3
261.00269	1.0
303.10983	1.3
348.07034	5.2
348.13055	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	348.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.2
55.05509	7.8
56.96559	8.0
57.03433	3.9
61.02918	2.9
64.96928	1.5
67.05500	25.6
69.03419	4.2
69.07059	6.3
70.49748	4.7
71.04965	2.8
73.02903	2.5
76.76262	1.3
79.05484	12.2
81.03411	4.9
81.07047	13.6
83.04960	18.3
83.08614	6.3
84.04524	1.5
85.02890	6.9
85.06523	2.2
91.05470	8.2
93.07041	18.8
95.04954	4.3
95.08575	10.8
95.34812	1.5
97.02882	4.7
97.06518	3.8
98.97567	2.9
99.04445	4.2
105.07013	100.0
106.07336	1.9
107.04967	3.4
107.08569	12.1
109.02859	3.8
109.06503	3.7
109.10146	11.5
110.03191	2.0
111.04424	37.8
111.08057	14.6
116.98640	3.7
117.07015	6.3
119.08576	6.3
121.06490	2.5
121.10154	10.4
122.09648	50.7
125.05947	2.8
126.05479	1.4
129.05386	1.6
129.07007	2.2
131.08557	4.2
133.10098	3.2
134.99614	2.1
135.11696	8.9
136.06148	2.9
145.10114	12.0
147.04353	1.7
147.11583	2.2
149.01212	1.6
149.09613	3.2
153.01741	7.8
153.12691	13.6
155.08531	2.1
159.11620	2.1
161.13245	1.6
163.05791	1.7
163.11153	19.5
166.18257	1.5
173.09570	3.6
173.11736	5.9
181.12193	19.8
184.11195	1.7
185.04745	1.8
191.10637	21.9
203.05991	1.6
209.11700	9.3
227.12766	27.8
227.14885	1.9
231.09088	1.9
243.08875	2.1
267.09036	4.2
269.10269	2.5
283.08560	2.1
285.10150	8.6
330.20590	37.8
348.14969	4.1
348.21738	6.2
349.19833	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	347.1671
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
51.15680	0.2
53.94137	0.3
64.06193	0.3
71.04278	0.5
104.01986	0.3
136.07581	0.8
164.07036	0.8
185.11505	1.9
303.44452	0.3
347.16718	100.0
348.17072	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	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05487	1.8
56.05027	2.5
56.74979	1.5
63.57167	1.6
67.05473	2.6
69.07032	1.5
71.17440	3.4
74.06012	1.6
81.07042	2.7
88.07632	5.7
95.08596	2.3
107.08619	1.7
135.08014	3.9
136.06192	2.2
177.43834	1.5
193.04950	2.8
224.65640	4.4
298.31223	1.6
299.31467	4.7
347.21909	100.0
347.25766	3.9
347.33365	15.9
348.22345	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	347.2189
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07061	1.7
67.05486	0.8
69.07043	0.6
69.99137	1.7
69.99528	1.3
71.08602	1.1
71.64445	0.6
72.93774	1.4
79.05483	1.0
81.07027	1.0
86.96500	0.7
88.07623	0.7
90.94810	1.0
93.06964	0.7
96.43561	0.7
96.95011	0.6
105.07040	0.9
107.08557	0.6
128.32358	0.7
130.26328	0.8
138.52983	0.8
149.02354	1.5
154.08897	0.6
159.89032	0.7
193.05009	4.2
193.06444	0.7
224.65700	3.4
238.67046	0.7
259.06528	0.7
279.64566	0.7
295.07721	0.9
299.10788	0.9
347.13315	4.1
347.21893	100.0
348.22278	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	347.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
54.01696	1.4
54.27466	1.4
55.01850	2.6
55.05508	12.5
56.96557	4.1
57.03421	1.9
57.07073	1.8
57.57998	1.3
59.05000	1.3
60.66947	1.4
62.46612	1.4
67.05498	14.6
69.03418	6.0
69.07068	11.4
69.78040	9.5
79.05491	26.1
81.03399	3.8
81.07053	22.7
83.04985	12.1
83.08610	2.7
85.02914	1.7
85.06529	3.2
86.63775	1.3
90.94825	2.1
91.05473	29.5
93.07037	40.7
95.04958	7.8
95.08604	21.5
97.06532	5.1
97.10175	1.9
98.21410	2.1
98.97581	2.4
101.59723	1.4
103.05473	2.4
104.57961	1.5
105.07018	32.5
107.04942	4.0
107.08593	32.1
109.06506	9.5
109.10152	41.2
111.04437	100.0
111.08070	5.2
113.05978	2.3
116.98575	2.1
117.07007	5.9
119.08575	40.0
121.06463	5.5
121.10139	60.2
123.04417	7.1
123.08071	9.6
123.11677	3.2
125.05983	7.0
125.09595	5.3
127.07570	1.7
129.06967	3.2
131.08560	11.8
133.06500	3.1
133.10129	33.0
135.08034	10.8
135.11694	14.3
136.06209	2.0
137.05954	3.8
137.09607	29.7
139.07532	4.0
139.11130	3.6
143.08536	4.8
145.06482	2.0
145.10103	7.3
147.08043	22.1
147.11662	6.7
149.09615	40.4
149.13257	3.4
151.07552	4.2
151.11150	7.9
153.09126	3.3
157.10083	7.1
159.11678	10.7
161.09612	8.9
161.13263	3.9
163.11221	8.1
163.14807	1.9
165.09135	8.3
167.10651	4.1
168.37627	1.6
171.11670	5.1
173.09589	1.7
173.13237	4.2
175.11111	3.0
175.14781	4.5
177.09065	2.8
179.10641	20.2
181.12244	9.7
183.11671	1.6
185.13248	3.9
189.12756	3.6
189.16377	4.8
191.10635	2.6
193.12183	2.6
195.11734	1.8
197.13034	1.6
199.14787	2.0
205.12195	2.0
213.12721	2.7
217.12222	5.3
217.15794	2.0
229.12192	2.0
231.13835	3.1
235.16893	1.6
239.16615	1.6
241.12337	2.6
247.08670	2.4
255.13742	2.9
257.15552	1.8
263.14001	3.6
269.18863	3.0
287.19955	12.2
297.18414	10.8
315.19501	15.9
319.69824	1.5
329.21146	2.3
347.12964	9.8
347.18198	2.5
347.22131	43.7
347.26047	1.6
348.22455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2214
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
53.03922	3.7
55.01858	1.7
55.05500	14.4
56.96543	3.8
57.03420	2.3
57.07048	3.4
57.84297	1.3
59.04982	2.6
61.02909	1.9
63.19215	1.3
65.03940	1.9
67.05500	17.9
69.03415	4.6
69.07061	10.5
70.02590	1.8
70.02881	8.2
71.84107	1.3
72.93777	1.4
73.02902	1.4
73.06548	2.5
79.05480	25.6
81.03407	4.3
81.07042	23.4
83.04980	11.2
83.08592	3.5
84.08122	1.4
85.02906	1.7
85.06516	3.2
87.11200	1.4
91.05470	23.8
93.06457	2.9
93.07028	37.0
95.04967	7.5
95.08601	16.7
97.02877	2.4
97.06505	3.8
97.10164	2.1
97.89902	1.5
98.97593	1.9
99.04475	1.5
99.08128	1.4
103.05467	1.6
105.03371	2.1
105.07014	31.0
105.07674	2.4
107.04929	4.4
107.08580	36.7
109.06508	9.8
109.10144	42.9
111.04428	100.0
111.08071	4.7
115.05487	1.6
117.06996	4.9
119.07780	2.8
119.08574	34.0
121.06488	4.0
121.10128	54.4
122.10458	1.6
123.04405	6.3
123.08003	9.0
123.11677	4.0
125.05948	7.4
125.09605	4.9
127.07525	2.0
129.06993	2.0
131.08540	12.4
133.06500	3.3
133.10109	33.5
135.08057	9.8
135.11694	13.6
136.06105	2.1
137.05925	1.8
137.09599	31.6
139.07477	2.6
139.11157	4.6
142.07809	2.3
143.08543	4.9
144.02338	1.4
145.10118	6.0
147.08031	18.3
147.11633	6.5
149.09607	31.1
149.13185	2.3
151.07529	3.7
151.11174	5.1
153.09055	1.9
157.10136	4.6
159.11688	7.9
161.09601	12.6
161.13234	5.1
163.11189	7.2
163.14781	3.1
165.09103	8.7
167.10706	4.9
169.10091	2.6
171.11667	4.4
173.13266	3.4
175.14809	2.7
179.10640	20.2
181.09993	1.4
181.12201	6.4
185.13176	3.1
189.12738	4.7
189.16367	3.2
193.12178	1.9
195.11649	1.5
199.14853	3.0
201.12602	1.6
205.12257	3.3
217.12186	3.9
217.15906	3.8
231.13777	4.5
235.17020	2.0
241.12129	1.8
255.13826	1.9
257.15533	2.2
259.13272	1.8
265.65909	2.0
269.18951	2.4
287.20010	9.6
297.18481	9.9
315.19537	14.0
329.20966	4.2
347.12936	3.0
347.18628	2.3
347.22137	41.0
348.22668	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18110	0.7
69.03418	1.1
70.06569	0.8
85.02902	4.1
86.09683	1.3
91.05407	0.9
97.02877	1.5
104.21224	0.8
109.62798	0.7
112.22449	0.7
134.07155	0.8
136.06213	1.1
143.03131	0.8
144.01138	1.0
156.97839	0.9
167.06793	2.7
185.04227	1.8
185.07864	12.1
187.97621	0.8
203.05252	10.9
214.98395	1.1
232.99466	6.2
234.98975	0.9
251.00600	1.4
285.13113	5.6
288.92319	0.9
301.12555	76.3
302.05283	1.0
302.12863	2.1
320.05472	1.4
329.12180	1.2
347.13113	100.0
348.13483	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.2
55.05514	17.7
55.05734	4.1
57.03421	3.4
59.05006	3.3
67.05505	50.7
69.03414	5.2
69.07072	17.2
69.74475	6.1
69.74882	13.3
71.04990	4.9
72.93785	2.6
79.05481	24.4
81.03398	4.8
81.07053	33.1
83.04967	5.1
83.08600	12.9
85.02886	4.6
88.81731	2.8
91.05469	20.0
91.20203	2.6
93.07033	23.0
95.04960	6.9
95.08613	20.6
97.06509	3.2
97.10159	13.9
98.21422	5.4
98.97578	4.4
101.73230	2.7
105.07030	24.5
107.08581	29.6
109.06543	5.8
109.09447	4.1
109.10148	51.7
110.10493	4.5
111.08055	3.1
116.98597	3.6
117.06977	6.4
119.08559	15.6
121.06463	5.7
121.10133	13.9
123.08031	4.2
125.09604	9.7
131.00021	3.1
131.08548	8.6
133.06476	4.6
133.10132	9.5
135.08040	5.9
135.11670	4.8
137.09604	7.7
139.11143	2.9
143.08458	3.1
145.10100	11.0
147.11671	6.0
149.09639	5.9
151.11166	2.8
155.10623	12.9
159.11710	5.7
161.05998	8.0
165.09123	8.3
171.08316	3.2
171.11664	5.5
173.11742	100.0
180.02397	3.3
189.11177	12.5
189.12767	3.9
195.13852	5.1
257.19043	5.5
275.20102	24.7
283.16986	3.5
293.20963	4.4
329.17386	7.8
347.13007	12.4
347.17999	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	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
63.99897	0.1
65.03928	0.4
67.01851	0.4
68.99774	1.4
69.03414	0.2
70.00096	0.5
70.00507	0.2
71.00253	0.1
75.00531	0.1
79.05463	0.6
81.03408	0.4
90.60791	0.1
92.02604	0.3
93.03391	0.4
94.04172	0.1
95.04942	0.3
97.02876	0.2
103.05431	0.2
105.03382	0.8
105.06979	0.1
106.04144	0.3
107.04944	0.7
108.72443	0.1
109.02849	0.6
109.18041	0.1
110.03648	0.3
111.00793	0.9
111.04416	0.5
112.98010	0.1
115.05430	0.3
117.07002	0.1
119.04985	0.2
120.02050	0.2
121.02854	2.3
122.03671	0.2
123.04379	0.2
124.01525	0.1
125.05963	0.2
126.03084	0.4
127.03933	0.2
128.06172	0.2
129.07014	0.2
131.04930	0.2
133.02827	0.6
134.03635	0.4
135.04391	0.5
137.02324	2.7
138.03078	0.6
139.03885	6.8
145.06465	0.4
147.04358	0.7
148.01526	0.2
149.02292	0.4
150.03111	1.4
151.03888	0.5
152.01071	0.1
152.04724	0.2
153.01816	15.1
153.05440	7.5
153.06711	0.3
154.06235	1.3
157.06505	0.4
159.04405	0.1
161.02306	0.2
161.06013	0.3
162.03087	0.3
163.03850	0.7
165.01823	5.0
165.05443	0.2
166.02487	0.5
167.07031	0.2
170.02087	0.2
171.02939	0.2
171.04385	0.3
172.05235	0.2
173.05975	0.2
175.03923	0.2
177.01787	0.2
178.02583	0.7
179.03337	0.3
181.04944	2.9
182.05219	0.2
183.02885	1.9
183.04327	0.3
184.03694	0.2
184.05081	0.3
185.05978	0.8
187.03874	0.3
188.04689	0.4
189.05481	0.3
191.03389	0.3
192.04138	0.4
193.04991	0.2
194.02110	0.7
195.02780	0.1
199.03864	0.3
200.04646	0.4
201.05466	1.5
202.02510	0.2
202.06209	0.2
203.03360	0.6
203.07050	0.3
205.04921	0.6
207.02853	0.5
207.06471	1.2
212.04568	0.2
213.05453	1.6
215.03362	0.5
216.04169	1.7
217.04904	0.7
218.02176	0.2
219.02866	0.9
220.03714	0.2
221.04417	0.2
224.03207	0.2
227.03404	0.5
228.04129	0.4
229.04941	5.5
230.05702	2.2
231.06441	1.4
232.03693	0.4
233.04417	1.0
239.03416	0.2
240.04243	0.3
241.04973	1.5
242.05832	0.2
243.02837	2.3
243.06421	0.2
244.03664	3.5
245.04407	1.2
247.02226	0.3
247.06174	0.2
255.02924	1.4
256.03583	0.6
257.04443	3.5
258.05215	11.4
259.05972	4.5
260.03290	0.2
260.06299	0.2
261.03928	1.2
263.05359	0.3
268.03787	0.2
269.04404	3.3
271.02380	0.3
271.05856	0.3
272.03134	1.2
273.03928	0.8
274.04721	0.4
275.05527	0.3
283.02359	1.1
284.03110	1.1
285.03906	4.4
286.01404	0.3
286.04675	9.3
287.05469	15.1
288.05911	0.6
289.03412	1.6
291.08609	2.8
297.03827	0.8
300.02762	0.8
301.03442	1.2
301.06482	0.2
302.04227	0.8
303.04974	6.5
304.05634	0.5
313.03391	1.7
314.04123	1.9
315.04944	4.8
315.08618	0.3
316.05713	0.8
317.02792	1.2
318.03656	0.4
318.07373	0.7
319.07928	0.2
331.04446	9.8
332.05167	3.8
347.07568	100.0
348.07913	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	346.1968
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
55.05505	6.3
55.93491	0.6
56.05028	0.7
60.10686	0.6
68.05011	0.9
69.03409	0.9
70.00529	4.2
70.02934	0.9
70.06573	2.4
72.08145	60.6
81.07057	1.0
82.06568	6.3
84.04485	1.1
84.08122	1.4
85.02883	0.9
85.03955	0.8
86.09689	15.2
88.03982	9.6
91.05450	1.4
94.06548	0.7
96.08101	2.7
98.02412	4.3
98.09727	0.8
99.09197	2.7
107.04941	1.3
124.07574	2.9
127.08665	17.9
128.07051	4.5
132.10181	7.3
141.10231	1.4
142.08614	24.8
152.07025	1.9
160.07610	1.3
166.08565	0.7
167.07109	0.9
169.09705	6.7
170.08113	2.6
187.10756	100.0
188.11104	1.9
201.12332	1.1
207.06396	0.7
215.10236	20.7
231.16980	1.1
271.29196	0.7
346.09033	1.2
346.18292	1.4
347.12674	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.235
Annotation	Ile Thr Ile
Peak:m/z	Relative Intensity
57.07083	2.4
62.48533	0.5
70.00128	1.1
70.00543	1.7
70.06589	6.2
71.02918	0.6
71.08617	1.3
73.28741	0.5
83.27258	0.5
85.10167	0.5
88.07626	6.2
93.07011	0.7
95.01295	0.7
97.06526	1.2
98.06843	0.5
98.21464	0.6
102.09182	0.6
109.06499	1.2
110.06844	0.7
114.09155	1.7
132.10191	7.6
149.09601	0.6
150.11249	7.2
185.73752	0.5
190.54410	0.6
215.31895	0.5
302.30536	2.3
311.93655	0.7
318.24020	7.4
320.93445	0.9
346.23508	100.0
346.33054	38.1
347.23984	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05609	3.2
55.05503	18.9
57.03435	3.6
59.04992	3.0
61.91235	2.9
67.05502	52.4
69.03436	4.1
69.07069	10.1
70.66496	11.1
79.05489	20.5
81.03459	3.7
81.07065	19.4
83.04971	3.7
83.08644	14.3
91.05470	8.7
93.07034	13.3
95.04938	2.9
95.08574	16.2
97.10167	14.6
105.07000	10.7
107.05003	3.7
107.08584	27.3
109.10153	60.1
109.10824	5.8
111.08043	4.0
119.08584	12.9
121.10191	4.1
125.09631	9.3
133.10123	7.4
137.09618	5.9
138.35023	2.7
139.11200	3.4
139.56714	3.1
145.10081	5.0
147.11707	6.1
155.10687	16.8
159.11729	3.1
161.13219	4.6
173.11742	100.0
174.11969	3.6
188.74841	3.3
189.11179	16.7
242.98558	3.3
257.18930	4.0
275.20026	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	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03997	3.6
55.05502	20.1
55.15192	3.7
56.89518	3.4
57.07072	9.1
59.04984	3.8
67.05508	27.7
69.07063	61.4
70.51823	13.0
71.05004	4.2
79.05489	16.8
79.90761	3.9
81.06577	5.7
81.07053	100.0
83.08600	19.0
85.06564	11.3
86.75843	3.6
89.06733	3.5
91.05473	5.0
93.07045	20.9
95.08607	78.5
97.06532	8.4
97.10173	6.7
99.08107	5.7
105.07038	10.8
107.08580	30.9
109.10157	22.0
111.08102	20.8
111.11738	6.4
119.08588	6.4
121.10168	15.4
123.11708	38.1
127.11147	4.9
132.36137	3.5
135.11700	16.4
137.13246	32.5
140.88980	3.4
149.13260	32.2
153.12733	13.5
155.14310	7.0
162.10493	3.9
163.14813	6.3
167.14322	6.7
174.12608	3.9
180.47020	3.9
203.14037	3.6
240.74963	3.7
289.57886	4.4
291.26752	7.4
309.27899	14.0
366.43326	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	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01857	3.4
55.05505	17.4
56.96561	2.4
57.03437	2.9
57.07062	8.4
59.04995	2.6
65.03951	2.8
67.05499	27.8
68.58670	2.1
69.03412	4.3
69.07063	59.8
70.93386	4.4
70.93722	2.1
71.04977	6.6
71.08639	3.2
73.06541	2.8
79.05486	11.9
81.07053	100.0
83.08622	21.6
85.02907	3.3
85.06536	18.2
85.10163	2.4
86.09678	3.5
87.42400	2.2
88.03973	2.7
89.03552	2.1
91.05471	8.9
93.07037	33.6
94.82971	2.3
95.01301	2.8
95.04935	5.2
95.08601	72.4
97.06520	5.3
97.10179	7.8
99.08076	7.2
105.07008	9.8
107.04906	2.1
107.08591	25.5
109.02850	2.4
109.10146	29.1
111.04493	2.2
111.08070	21.6
111.11696	15.3
113.09632	2.3
119.08560	6.4
121.02826	3.2
121.10140	13.9
123.08073	2.1
123.11701	35.4
125.09611	3.7
125.13274	2.7
133.10176	4.1
134.04474	6.2
135.11658	14.9
137.05989	4.1
137.13235	24.9
139.11148	3.6
147.04332	2.0
147.11650	4.2
149.13266	29.0
151.14883	2.3
152.18495	2.2
153.01843	4.4
153.12761	11.6
155.14305	5.2
158.11006	2.2
159.11723	2.2
161.13248	2.4
163.14827	6.7
167.14307	5.2
175.14742	1.9
176.15071	2.4
177.16370	3.0
184.08714	2.3
203.73975	2.0
228.44337	2.6
234.99001	3.5
267.10211	2.4
273.25937	2.3
279.26862	3.5
291.26807	9.6
295.09781	2.7
297.27890	3.5
299.09076	8.6
299.12439	3.6
309.27875	9.1
313.10849	4.2
327.12256	6.6
327.28906	3.6
345.05881	3.1
345.13324	6.1
345.18839	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	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01324	3.8
53.63038	3.9
55.05494	19.0
57.07060	8.5
59.04999	4.7
60.33474	4.2
60.83251	5.9
67.05495	29.1
69.03428	6.5
69.06768	4.7
69.07066	53.0
70.84475	11.7
71.04978	6.1
79.05492	19.1
79.32195	5.1
81.07050	100.0
83.08607	15.3
85.02864	4.4
85.06524	15.7
91.05470	6.8
93.07024	36.1
95.08591	68.5
97.06504	9.2
97.10164	7.1
99.08073	6.9
103.82389	4.1
105.07030	8.5
105.81434	4.5
107.08601	27.4
109.10128	25.2
111.08061	18.7
111.11763	10.9
119.08559	11.3
121.06474	4.9
121.10147	21.9
123.11704	39.2
125.13264	7.0
131.47650	4.3
133.10155	8.4
135.11676	11.0
137.13225	25.8
147.11617	4.9
149.13248	26.7
152.32869	4.6
153.01752	4.8
153.12737	15.7
155.14317	4.9
161.09698	5.4
167.14270	7.0
169.16759	5.3
174.96880	7.0
252.99936	6.3
291.26642	6.3
298.69949	4.3
309.27780	9.4
345.14514	6.8
345.20355	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	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10518	3.6
55.01859	5.1
55.05496	21.9
56.96569	4.6
57.03429	5.0
57.07066	14.6
67.05498	24.2
68.83637	4.2
69.07063	58.0
69.53918	3.6
69.61684	3.7
70.12189	15.9
71.04988	5.4
71.08618	4.0
79.05469	12.7
79.72784	3.4
81.07050	100.0
83.08619	19.8
83.09061	4.0
85.02863	3.9
85.06532	19.9
88.02978	3.9
91.05474	13.7
93.07039	30.0
95.04922	4.5
95.08602	71.7
97.10138	6.9
98.97578	4.6
99.08086	11.2
105.07024	14.5
107.08591	29.2
109.10154	27.2
111.08058	21.7
111.11692	14.1
117.07011	4.1
119.08560	5.9
121.10139	20.3
123.11702	34.2
133.10197	5.6
133.26186	4.6
135.11703	18.7
137.13231	28.4
147.11676	6.2
149.13251	28.4
153.12764	14.6
155.14209	8.4
165.12712	4.8
167.14299	5.5
174.09541	4.5
176.89909	4.1
267.78378	3.8
291.26935	8.0
309.27878	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	345.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35790	2.2
53.31163	2.6
69.09577	2.4
69.28371	29.1
77.71296	2.7
84.20971	2.5
91.05469	4.9
98.21563	4.4
103.05455	9.8
105.07014	2.9
117.06986	3.7
121.04094	2.3
121.06463	5.0
122.03623	5.0
128.06155	4.3
131.04883	14.8
137.05966	42.5
138.06429	2.9
145.06517	3.0
149.38248	2.8
151.07530	16.4
161.06030	3.0
163.07556	37.8
175.07491	5.9
177.09094	100.0
195.10152	8.6
221.11697	7.6
299.12479	7.5
313.13208	4.0
324.18643	2.7
345.16168	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	345.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05172	2.0
53.03930	2.6
55.01863	6.1
55.05505	18.4
56.96560	3.8
57.03423	3.7
67.05496	21.7
69.07067	16.0
70.00555	12.4
71.25259	2.5
71.92092	2.3
79.05496	21.2
81.03392	9.0
81.07051	51.1
83.04957	7.9
83.08605	7.2
88.07605	2.6
91.05476	15.2
93.07014	22.1
95.04958	13.9
95.08599	13.0
97.10140	12.1
98.20805	2.9
104.99252	11.0
105.07029	17.2
107.04921	4.1
107.08575	11.1
109.06508	5.7
109.10121	7.9
111.04387	3.6
111.08097	6.1
117.07007	9.6
119.08555	26.7
121.06474	10.9
121.10098	9.7
123.08073	40.8
125.00060	2.4
125.09618	8.7
129.06989	4.4
131.08553	9.4
135.08057	7.4
137.09583	5.0
142.44095	2.6
143.08528	5.5
145.10124	12.1
147.08008	10.6
149.09526	3.1
159.11696	2.9
161.09605	3.9
161.13335	2.8
163.11140	8.2
171.10138	5.8
171.11655	3.6
187.75064	2.5
189.11212	10.7
219.13690	2.9
223.13313	2.7
237.14853	9.4
262.98148	9.1
273.18469	26.2
291.19522	100.0
292.19809	2.5
327.17203	3.0
345.11502	6.8
345.31451	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	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
50.67059	1.0
53.03943	1.1
55.01865	1.6
55.05491	1.9
63.11360	1.1
65.03938	5.3
66.38955	1.0
68.02641	1.2
69.03400	1.9
69.28389	4.2
69.28812	7.7
72.96507	0.9
76.97733	1.1
79.05489	1.4
81.03396	1.3
81.07056	2.4
83.04974	1.1
85.02873	1.2
91.05463	2.4
93.03391	2.5
93.07038	2.1
95.04934	2.5
95.08611	1.2
96.02098	6.3
105.06978	1.9
105.42597	1.1
107.01329	2.3
107.08544	1.2
109.10146	1.3
111.04424	24.2
115.05458	2.7
117.07006	2.6
121.06473	1.5
121.10122	1.3
123.04443	2.6
128.06258	1.3
129.06995	3.9
131.04877	1.4
131.08510	1.4
137.05939	4.6
139.03882	15.4
140.06195	1.3
144.05693	2.2
145.06502	3.4
147.04399	3.7
147.08081	1.0
152.06166	2.5
153.01793	1.5
153.05544	2.0
153.06982	5.0
155.04840	1.9
155.08484	1.8
157.06433	6.1
159.08034	6.9
160.08818	4.7
161.05994	5.5
161.09599	2.4
165.06976	5.7
167.03412	8.0
167.04669	1.6
167.08478	2.0
168.05684	6.5
169.06493	4.4
170.07225	1.6
171.07962	1.6
175.07504	2.2
178.07787	3.8
179.08485	6.8
180.09340	1.9
181.06494	9.0
182.07239	2.9
183.04401	1.8
183.08060	4.2
185.05981	4.4
185.09624	2.4
187.07471	5.6
188.08310	8.8
189.07042	1.4
189.09100	3.7
190.07690	1.5
193.06480	1.4
195.08095	5.7
196.05243	3.8
196.08809	4.0
197.05980	4.9
197.09659	3.4
198.06731	20.8
199.07445	3.5
200.08330	3.3
206.07306	2.7
206.09265	1.7
207.08086	6.5
207.09875	1.3
208.08801	2.6
209.06006	4.8
209.09630	1.9
210.06754	3.2
211.07555	12.6
211.11142	3.2
212.08270	1.7
213.05467	8.1
213.09091	3.2
215.06923	2.4
221.09634	4.1
223.07503	7.3
224.04620	3.1
224.08336	6.0
225.05412	3.2
225.09166	3.3
226.06241	8.8
227.07034	7.3
228.07813	4.4
234.06682	1.4
235.07536	4.7
236.08372	2.2
237.05521	3.8
237.09042	3.0
238.09875	10.7
239.07028	22.9
239.10573	13.7
240.07753	10.6
241.04927	6.1
241.08563	14.7
242.09195	1.8
243.06537	16.4
243.10176	1.5
249.09103	4.5
251.07033	3.3
252.07817	5.3
253.04909	2.4
253.08618	9.1
253.12219	4.7
255.06538	4.2
255.10081	1.6
256.07297	14.3
256.10770	3.1
257.08078	2.1
258.08875	2.9
263.06802	1.6
265.08673	2.4
266.05698	1.7
266.09274	1.4
267.06561	4.3
267.10129	32.0
268.07330	17.4
268.10397	2.4
269.08044	27.4
270.08658	3.1
271.09842	6.9
271.13138	7.3
281.08118	5.1
281.11694	4.5
283.09631	1.9
284.06799	5.2
284.10397	10.7
285.11145	1.6
286.08255	6.1
295.09631	11.3
296.10410	11.7
299.09128	100.0
299.12732	19.8
300.09433	4.4
309.11246	2.7
312.09979	2.8
313.10669	19.2
317.13885	1.4
327.12234	75.0
328.12585	4.8
345.13309	43.2
345.24173	1.5
346.13760	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	345.1329
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.05512	2.4
65.03931	6.4
67.05489	2.0
69.07066	2.5
70.05205	7.1
81.07061	5.1
83.05037	1.8
84.02864	2.0
93.03371	1.9
93.07049	2.8
95.08597	3.1
96.02101	6.8
98.21411	2.1
107.01311	3.4
107.81230	1.4
109.10207	2.2
111.04419	33.3
112.85056	1.5
117.07028	2.6
123.04398	2.6
123.11655	2.8
129.06990	3.6
137.05956	6.8
139.03891	15.6
141.06996	2.6
144.05634	1.7
145.06491	5.1
152.06148	2.5
153.05420	2.3
153.06955	5.7
155.04840	2.1
155.08536	2.3
157.06476	5.2
159.08098	8.1
160.08852	5.3
161.05988	5.3
161.09584	3.2
165.06996	5.9
167.03389	7.0
167.08514	2.9
168.05687	7.1
169.06477	5.1
171.08144	2.8
178.07761	4.8
179.08553	8.6
181.06464	6.9
182.07217	3.7
183.08099	2.9
185.05914	6.7
185.09637	3.5
187.07555	5.7
188.08299	8.4
189.06961	2.3
189.09084	2.5
193.10153	1.9
195.04330	1.7
195.08011	7.4
196.05179	5.1
196.08752	4.8
197.05942	5.5
197.09569	5.2
198.06715	19.5
199.07484	5.3
200.08275	2.9
205.06403	2.2
206.07300	3.3
207.07990	8.1
209.06004	4.0
210.06754	4.0
210.10320	1.8
211.07512	14.0
211.11134	4.9
213.05457	8.9
213.09032	3.7
221.09618	3.7
223.07539	7.2
224.04677	2.2
224.08205	8.1
225.05412	4.4
225.09055	4.6
226.06299	8.3
227.07047	5.5
228.07788	6.3
235.07524	5.9
236.08290	2.7
237.05403	3.8
237.09036	4.6
238.06160	2.1
238.09862	9.2
239.06978	21.6
239.10565	13.3
240.07767	12.1
241.04907	6.6
241.08577	18.2
242.05219	2.2
243.06477	14.4
249.09140	3.4
249.63777	1.9
251.06934	3.9
252.04257	2.2
252.07785	5.3
253.08551	10.5
253.12230	5.4
255.06476	3.3
256.07300	21.1
257.07886	2.2
258.08850	4.1
263.06857	2.0
265.08463	2.6
266.09357	1.9
267.07016	2.5
267.10126	29.2
268.07318	23.7
268.10440	3.5
269.08063	32.0
271.09628	6.6
271.13242	5.4
277.08496	2.9
281.08160	4.8
281.11801	6.5
283.09555	2.0
284.06790	5.3
284.10400	9.3
285.11078	3.7
286.08322	5.7
295.09570	9.3
296.10339	11.4
299.09113	100.0
299.12735	23.2
300.09454	4.6
312.09732	3.6
313.10559	17.0
314.10794	1.8
315.06345	2.1
327.12204	73.0
328.12735	3.3
345.13281	40.4
346.13754	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	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01865	3.8
55.05503	4.8
56.96556	2.8
57.03439	2.5
57.07043	3.4
65.03928	6.7
67.05489	6.5
69.03415	2.6
69.07055	6.6
69.63790	4.2
69.64216	7.4
70.06559	1.7
71.04971	2.0
72.08132	1.9
78.19968	1.8
79.01793	1.9
79.05484	6.7
81.03397	5.1
81.07048	11.7
83.04976	3.1
83.08617	2.4
85.02901	3.7
85.06548	16.8
91.05479	6.4
93.03403	2.1
93.07033	6.2
95.01326	28.9
95.04959	3.9
95.08590	10.7
96.02097	6.4
97.02880	2.5
97.10172	2.1
103.05423	2.3
103.16860	1.5
104.16678	1.6
105.07030	6.7
107.01308	2.2
107.08589	7.0
109.02860	2.6
109.06503	2.0
109.10153	5.5
111.04430	27.3
111.08069	2.6
115.05502	2.6
117.07011	3.8
119.04942	1.7
119.08527	4.5
121.10138	5.1
123.04449	2.5
123.08041	1.9
123.11663	3.7
125.09592	2.0
128.06252	1.9
129.06996	5.8
131.04938	4.7
131.08556	3.7
133.10150	2.3
134.04543	1.8
134.99666	1.6
135.08092	2.0
137.05977	9.4
137.13263	2.0
139.03889	15.0
139.07587	1.6
141.07001	3.5
143.08528	1.9
144.05661	3.5
145.06439	4.0
145.10175	1.6
147.04349	2.7
147.07986	2.8
147.11722	2.0
149.05954	2.1
151.07559	3.7
152.06114	2.5
153.01831	9.3
153.05531	2.3
153.06865	3.0
153.09047	2.4
155.04903	2.1
155.08488	3.5
157.06456	5.4
159.08044	8.6
159.11703	2.7
160.08849	4.0
161.05968	10.6
161.09604	4.0
162.06734	2.6
163.03873	3.3
163.14912	2.3
165.06964	6.2
165.09064	2.2
166.07706	1.8
167.03395	6.6
167.08501	2.8
168.05707	4.3
169.06447	5.3
171.11687	1.9
173.06006	2.6
175.07469	2.3
177.09105	8.2
178.07805	5.0
179.08455	9.0
181.06471	7.6
181.10033	2.4
182.07196	3.4
183.08008	4.1
185.05984	6.3
185.09666	5.0
187.07498	8.5
188.08250	7.8
189.09102	4.5
191.07019	2.1
191.08607	2.0
193.06483	1.7
194.07384	1.9
195.08075	8.2
196.05212	5.0
196.08833	5.2
197.05988	3.9
197.09589	3.8
198.06752	17.4
199.07520	3.3
200.08287	2.1
206.07236	2.6
206.09209	2.1
207.08127	7.8
207.09789	1.7
208.08806	2.6
209.05975	4.1
210.06721	6.0
210.10449	2.1
211.07520	10.7
211.11166	5.0
212.08440	3.6
213.05453	9.3
213.09125	4.5
217.12234	4.4
221.09579	6.0
223.07599	7.9
224.04646	3.0
224.08188	8.7
225.05426	3.4
225.09067	3.2
226.06259	6.7
227.06990	6.3
227.10544	2.5
228.07759	5.1
234.06670	2.5
235.07553	7.7
236.08266	4.0
237.05363	4.0
237.09163	3.0
238.06204	3.9
238.09866	9.6
239.06996	27.0
239.10576	17.3
240.07716	11.4
240.11499	1.8
241.04977	6.8
241.08553	15.8
243.06528	15.7
249.09215	4.3
251.07005	5.9
252.04375	2.9
252.07828	5.5
253.08578	10.0
253.12163	5.8
255.06548	3.3
256.07309	19.0
257.07935	1.8
258.08902	3.3
265.08594	2.7
266.09402	2.7
267.06522	4.8
267.10117	31.9
268.07281	20.1
268.10217	3.0
269.08066	29.5
271.06076	2.8
271.09610	5.3
271.13345	6.3
277.08530	3.2
281.08051	5.2
281.11688	4.4
284.06778	4.3
284.10388	11.4
285.07358	1.7
285.11130	3.1
286.08365	7.4
295.09674	11.1
296.10486	13.9
299.09128	100.0
299.12723	21.5
300.09512	3.1
312.10046	2.5
313.10651	20.3
317.13812	4.6
327.12253	69.6
327.15543	2.6
328.12418	4.3
345.13272	41.5
345.17035	1.9
345.24435	2.6
346.06705	1.8
346.13733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.7
55.01865	3.3
55.05506	9.3
56.96564	7.4
57.03435	12.3
58.91463	2.3
67.05499	25.5
69.03418	12.3
69.07066	26.6
70.09481	13.2
71.04992	10.1
75.56196	2.2
77.67830	2.6
79.05486	21.8
81.03412	10.8
81.07059	22.3
83.08611	5.7
85.02896	9.6
87.04452	6.9
91.05485	17.2
93.07053	18.8
95.04964	18.5
95.08600	16.2
97.02863	9.4
97.06525	100.0
97.10155	2.7
98.97574	9.1
99.08097	5.1
105.07011	15.9
107.04881	2.6
107.08591	7.7
109.06546	6.9
109.10169	6.7
115.07556	18.3
116.98637	5.9
117.06987	4.7
119.08576	9.0
121.06535	4.8
121.10162	6.4
123.08033	3.6
125.66038	3.1
129.07057	4.1
131.08569	9.6
133.10110	9.0
134.99701	5.4
135.08076	3.0
135.11700	5.1
139.46991	2.5
143.08595	3.8
145.10150	5.5
147.08107	2.9
149.13338	3.3
151.11124	3.2
157.10149	2.7
159.11742	7.9
163.11159	2.4
171.11580	4.2
173.09561	2.4
175.12479	3.1
177.12718	4.4
184.13152	3.7
195.13795	5.0
206.92577	2.8
217.15891	2.9
223.13260	4.8
227.01357	2.9
248.93710	5.5
266.94843	4.0
278.14630	9.6
278.64771	4.3
291.19501	3.1
344.16870	3.1
344.66666	2.6
367.25018	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	344.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01860	0.9
55.05508	7.4
56.96552	1.6
57.03420	0.9
57.07063	1.8
59.73537	0.8
61.03908	0.7
67.05164	1.1
67.05497	17.0
69.06721	0.7
69.07064	8.1
70.02939	5.5
71.04988	4.8
71.59409	0.9
74.02433	30.5
79.05491	6.4
81.07048	23.4
82.45348	0.6
83.04989	0.9
83.08603	5.2
84.08157	0.8
85.06523	2.1
88.03983	46.6
91.05468	7.0
93.07031	8.7
95.04955	1.2
95.08595	39.2
97.06541	4.9
97.10161	3.2
99.08070	1.1
105.07024	7.1
107.04910	0.7
107.08580	4.7
109.06528	1.7
109.10143	15.3
109.10905	0.8
111.04445	1.4
111.08058	3.2
111.11758	0.7
113.48660	0.7
116.03441	19.4
116.98640	1.6
119.08572	7.1
121.10141	2.1
123.08073	0.6
123.11700	2.0
125.09593	0.9
131.04970	1.0
131.08508	1.0
133.10147	5.6
134.04474	100.0
134.99648	0.7
135.04810	1.0
135.11696	2.5
137.05933	2.0
137.09644	1.2
147.11707	3.3
149.13237	2.6
151.14810	2.9
161.05896	1.5
162.06378	1.9
167.07024	0.7
173.13330	0.9
175.07581	1.2
175.14806	8.2
176.07877	1.2
193.15869	4.5
208.08301	0.8
211.16927	2.2
224.93872	0.7
229.43146	0.8
254.44972	0.7
266.09012	1.2
267.09772	0.8
280.18976	2.6
285.10907	1.1
294.12082	1.2
299.09222	1.8
300.12827	0.9
312.13141	1.1
326.19705	3.2
327.12457	1.4
344.15765	2.2
344.20547	18.0
345.13260	1.9
345.20685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64694	16.8
55.05496	30.9
56.96554	39.2
57.03405	24.2
58.26657	16.1
63.16782	16.7
67.05499	65.7
69.03420	28.5
69.07063	84.7
69.84262	74.6
71.04977	36.3
79.05491	69.9
81.03407	46.3
81.07050	100.0
83.04958	18.0
84.80219	15.1
86.46362	16.3
91.05483	65.6
93.07029	66.2
95.04980	60.0
95.08585	42.3
97.06533	85.6
98.21416	25.5
98.97538	45.8
99.08100	16.0
105.07008	60.7
107.08586	52.3
109.06511	18.1
115.07555	28.9
116.98613	54.0
117.07027	25.9
119.08604	27.8
121.10148	25.3
123.08097	19.6
131.08539	18.9
133.99146	18.2
134.99657	59.2
146.10741	16.8
157.10226	15.8
159.11697	20.2
168.02242	15.8
206.92694	18.4
224.93794	35.6
248.93681	40.1
262.98071	23.9
266.94626	26.3
314.07590	59.2
344.12097	64.2
344.19089	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	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
61.02911	1.1
65.76564	0.4
69.03423	3.7
70.06580	0.4
70.83704	0.6
70.84063	0.9
73.02914	0.8
74.42944	0.5
81.03414	1.7
85.02899	15.9
91.03931	0.7
91.05475	6.4
97.02889	4.0
99.04453	0.8
109.02871	1.7
119.04931	19.0
123.04434	1.8
127.03893	2.6
145.04933	2.9
147.04396	100.0
148.04712	0.8
165.05458	49.0
175.47185	0.5
177.05452	0.7
180.08643	1.2
182.08061	0.5
211.80385	0.4
255.10390	0.5
295.44446	0.5
317.65073	0.5
344.13254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	4.2
69.53159	27.6
70.06554	8.3
72.08131	5.7
84.08127	9.6
85.02885	11.2
89.06085	3.2
91.05469	18.4
92.05726	3.8
97.02867	5.1
112.11215	9.7
119.04916	23.0
127.03885	3.6
129.13831	5.6
136.07587	8.0
145.02826	7.5
147.04399	100.0
152.32916	3.2
153.01775	3.2
164.07034	5.1
165.05473	46.6
167.07048	4.0
175.03891	8.4
177.05496	10.0
207.06525	11.2
234.08693	3.5
273.75262	3.8
316.05621	3.7
344.13644	5.1
345.06000	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	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56794	13.7
55.05491	44.5
56.06172	13.6
56.96547	28.2
57.03426	18.2
67.05498	39.3
69.03432	15.6
69.07059	62.1
71.59917	23.6
78.89210	12.9
79.05479	26.4
81.07052	75.3
83.08628	22.8
91.05470	33.4
93.07017	100.0
95.04959	46.0
95.08603	70.4
97.06521	28.3
98.97566	30.1
105.07040	44.3
106.72414	14.8
107.08607	42.3
109.06510	15.6
109.10154	37.9
111.08076	86.1
116.98600	23.2
119.08591	21.0
121.06502	15.6
121.10127	35.6
123.11719	33.9
133.10066	17.9
134.99605	23.2
149.13235	23.6
209.19028	20.1
224.93623	20.3
248.93654	19.5
343.11804	26.3
343.22595	25.3
345.71851	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	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21759	12.3
55.05487	33.4
56.96547	23.9
59.04999	10.3
60.14217	9.8
67.05489	22.9
69.03423	21.3
69.07078	56.5
71.59683	15.6
79.05476	24.9
81.03403	11.6
81.07040	80.8
82.92790	10.2
83.08587	20.1
85.02895	15.1
85.06512	16.0
91.05479	27.8
93.07037	100.0
95.04985	16.5
95.08592	62.2
98.97574	25.6
99.08046	13.3
105.07008	44.9
107.08580	44.2
109.02956	11.3
109.06522	29.2
109.10147	39.1
111.08060	25.3
111.11673	12.4
116.98637	24.1
119.08578	35.1
121.10126	38.8
123.11665	17.6
129.07042	13.8
131.08585	11.6
133.10089	13.0
134.99615	35.6
135.11670	20.3
137.09567	12.5
143.08539	12.7
145.10095	24.7
147.11670	18.7
149.13278	22.4
158.99655	14.2
159.11671	13.4
163.11116	12.5
167.07063	10.8
171.77098	11.8
228.09181	10.8
230.80264	10.7
289.25119	13.2
297.11292	19.3
307.26239	23.7
343.07809	13.4
343.22836	23.4
350.89948	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	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01861	2.9
55.05505	17.8
56.35248	1.6
56.96558	3.0
57.03426	2.7
57.07060	10.4
58.93644	1.8
60.52659	2.0
67.05497	30.0
69.03420	5.1
69.07059	37.4
70.65302	6.7
71.04979	6.4
71.08607	2.2
79.05484	20.2
81.07046	100.0
82.07388	2.4
83.04967	2.7
83.08611	14.2
85.06532	16.4
91.05448	15.8
93.07030	40.1
93.68916	1.7
95.04967	9.5
95.08594	75.3
97.06516	8.0
97.10149	6.2
99.04446	2.4
99.07533	2.2
99.08077	10.9
101.06028	3.9
105.07023	21.1
107.04944	2.5
107.08572	29.2
109.06519	6.0
109.10135	36.2
109.10880	1.3
111.08078	12.7
111.11710	6.4
113.09613	4.4
115.07559	2.0
116.56750	1.9
117.06980	2.1
117.87445	1.9
119.08566	16.0
121.06494	2.7
121.10120	24.1
123.08035	3.3
123.11702	29.3
125.09583	5.8
127.03912	2.6
127.11164	4.8
131.08536	5.2
133.10120	13.4
135.11678	19.1
137.05925	11.6
137.09595	3.5
137.13251	11.1
137.68153	2.3
139.11148	5.5
145.10110	8.4
147.11684	13.9
149.13228	14.5
151.07474	2.6
151.11214	2.8
153.11630	2.0
153.12700	12.5
155.10640	2.2
159.11665	9.7
161.13214	10.6
163.11174	5.0
163.14810	6.0
165.12753	6.7
175.07596	3.8
175.14798	4.7
177.16388	5.3
179.17917	2.2
181.08572	2.1
181.12256	2.1
187.14793	2.3
189.16339	4.7
201.16385	2.8
203.17932	2.1
254.15384	2.0
259.16769	1.9
260.07135	1.7
264.07919	2.7
265.08591	5.3
271.24194	3.1
277.25259	5.4
289.25232	13.5
293.11627	2.3
295.26431	3.5
297.11203	3.3
307.26270	22.2
311.12561	1.8
325.10767	2.6
325.27267	5.8
343.15012	6.2
343.28415	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	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	31.5
56.96556	6.9
57.07050	8.8
59.05017	5.1
59.14820	5.0
61.14257	5.6
61.48265	5.2
67.05502	26.1
69.03425	11.0
69.07068	44.2
69.74975	5.2
70.01278	18.5
70.01695	7.6
71.04990	7.8
74.90917	5.3
79.05479	17.1
81.07045	58.5
83.08611	34.2
85.02911	7.6
85.06535	9.1
87.04450	6.9
91.05459	22.8
93.07033	100.0
94.51830	5.0
95.04964	45.9
95.08601	54.9
97.06500	14.2
97.10167	9.6
98.97587	9.0
103.84963	5.6
105.07022	23.5
107.08574	26.8
109.06503	12.6
109.10142	31.5
111.08071	43.4
111.11703	5.6
113.12950	5.9
116.00385	5.0
116.98644	6.0
119.08556	16.8
121.06448	6.9
121.10162	30.3
121.10912	5.9
123.11675	31.4
125.09611	15.4
131.08559	8.8
133.10139	8.5
134.99625	7.9
135.11652	8.5
137.10550	5.5
137.13231	7.2
139.11148	6.1
145.10155	11.0
147.11685	9.7
149.09642	7.5
149.13243	22.2
154.18895	5.0
155.32870	5.1
159.11682	14.8
163.11208	5.5
165.12718	5.4
167.14330	15.7
171.17160	5.3
173.13297	6.3
209.19020	10.1
235.20546	14.5
295.26422	12.2
307.26257	17.5
325.27368	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15262	3.0
53.03934	3.5
55.05498	17.5
57.07066	11.2
59.04992	3.3
67.05502	24.7
69.03418	7.3
69.06716	6.0
69.07063	76.8
70.09290	17.3
71.04986	5.3
79.05478	21.3
81.07047	100.0
83.04971	5.5
83.08607	17.0
85.06533	21.6
91.05463	12.3
93.07036	34.9
95.04965	11.7
95.08598	65.8
97.06535	7.5
97.10165	4.4
99.08086	14.5
105.07016	17.6
107.08595	32.1
109.06519	6.0
109.10145	33.6
111.08063	23.3
111.11697	21.5
116.98608	3.4
117.07001	3.7
119.08582	11.2
121.06453	5.1
121.10130	20.1
123.08035	3.9
123.11707	51.6
125.09628	5.1
127.11197	14.1
129.06985	6.6
131.08566	4.9
133.10117	3.9
135.11716	21.8
137.05952	9.3
137.13264	16.0
139.11182	11.9
145.10049	5.5
147.11678	8.4
149.13240	8.6
151.11130	4.0
151.14803	4.2
153.12741	33.3
159.11670	4.3
161.05963	13.3
161.13110	3.1
163.11188	4.1
165.12714	7.5
167.07025	11.4
171.13834	3.6
175.07516	4.8
177.12724	3.2
177.16492	3.5
181.08597	9.7
189.09143	9.4
209.18904	5.2
265.08572	5.5
277.25192	5.1
289.25162	5.7
295.26202	7.3
297.11420	3.6
307.26303	38.1
311.12689	9.1
325.27536	7.9
343.15295	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	30.4
55.14515	5.0
56.96551	6.0
57.07070	9.1
60.41835	4.2
67.05493	24.5
69.03421	8.3
69.07062	55.4
70.79952	9.0
79.05489	20.1
79.19000	4.2
81.07043	64.9
82.35129	4.7
83.08611	27.6
85.06535	7.5
91.05467	16.7
93.07030	100.0
95.04948	27.8
95.08595	39.6
97.06507	12.1
97.10174	8.6
98.97561	10.4
99.08110	5.9
105.07037	21.9
107.08579	31.6
109.06522	12.0
109.10164	27.0
111.08057	53.8
111.11758	5.0
112.66544	4.5
116.98582	7.8
119.08585	13.6
121.06541	5.5
121.10157	29.4
123.08064	8.4
123.11680	24.1
131.08568	8.0
133.10124	7.3
135.11719	12.2
139.11108	6.2
147.11691	11.3
149.09589	5.4
149.13257	20.6
159.11703	8.8
167.14297	7.4
173.09517	5.1
209.18999	7.4
271.24127	6.5
289.25247	9.1
295.26361	9.0
307.17303	6.1
307.26331	16.3
322.70047	5.4
325.27344	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	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.7
55.05497	23.4
56.96564	6.2
57.02504	4.5
57.07059	8.6
59.05029	4.3
65.15096	4.0
66.12861	5.0
67.05511	25.6
69.03437	4.3
69.07060	46.5
69.77795	22.1
71.04993	5.8
72.52435	4.1
78.75935	4.0
79.05485	18.6
81.07053	58.3
83.08617	25.6
85.06527	11.7
87.04465	5.6
91.05461	18.8
93.07034	100.0
95.04946	33.0
95.08596	56.6
97.06543	7.7
97.10147	6.7
98.97583	4.4
105.07008	15.1
107.08615	22.7
109.06499	14.1
109.10152	20.0
111.08083	45.7
119.08569	16.0
121.10143	32.7
123.11724	23.7
133.10176	8.4
135.11670	8.9
137.13228	10.4
139.11160	10.3
145.10085	8.2
147.11713	9.2
149.13214	21.9
161.13251	6.3
167.14314	6.2
173.13281	5.5
175.14754	4.3
191.18169	5.5
209.19096	7.6
217.19560	8.0
235.20540	7.8
260.15509	4.7
289.25247	7.2
295.26187	7.0
296.33795	5.7
307.26349	19.3
325.27460	9.9
334.26031	4.6
344.21011	6.7
353.12759	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	343.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.07066	0.8
67.05491	1.2
68.89841	0.8
69.07043	0.7
70.48426	0.7
71.04985	0.7
71.59587	1.3
81.07040	1.3
91.05478	1.3
93.07016	2.2
95.04939	0.9
95.08591	1.7
105.06997	2.1
107.08593	1.9
109.10139	2.9
117.07038	1.3
119.08607	0.8
145.10098	1.0
159.11766	1.0
163.11119	1.2
320.19666	0.9
338.20834	1.0
343.24512	100.0
344.25015	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29275	2.0
55.01862	3.9
55.05500	21.8
56.96573	11.5
57.03402	2.4
57.07058	8.6
59.07532	2.2
59.75501	2.2
60.47413	2.4
63.01105	2.1
65.03925	3.9
67.05170	2.7
67.05496	29.6
69.03401	8.6
69.07057	55.5
69.46128	9.5
69.46561	9.5
70.71642	2.0
71.04975	7.3
71.08598	4.3
72.08138	6.2
79.05479	18.5
81.03417	3.3
81.07047	100.0
83.04966	7.5
83.08618	16.6
85.02872	3.9
85.06529	20.9
91.05469	14.0
93.07030	35.1
95.04930	9.8
95.08589	63.9
97.06503	10.2
97.10180	4.0
98.97572	3.2
99.08082	12.9
101.06002	3.6
103.05440	5.3
105.07002	19.9
105.22390	2.3
107.04903	5.8
107.08585	33.1
109.06499	9.5
109.10146	34.1
111.08064	21.9
111.11697	10.0
113.06026	2.3
115.07594	2.4
116.98591	4.9
117.07005	3.3
117.67553	1.9
118.08612	2.2
119.08553	13.2
121.06460	5.0
121.10112	22.6
123.11691	51.1
125.05946	3.0
125.09561	3.7
127.11181	7.2
128.06271	2.8
129.06993	2.5
131.04909	3.7
131.08565	6.1
133.06451	2.2
133.10103	12.8
134.04443	4.5
134.20505	2.5
134.99612	3.8
135.07977	2.9
135.11659	20.7
137.05951	7.0
137.09598	4.6
137.13240	12.0
139.11148	8.9
145.10121	11.4
147.03214	2.3
147.04367	2.2
147.11658	12.8
149.05898	3.3
149.09618	3.0
149.13219	8.3
151.11156	6.8
153.01826	3.9
153.12704	25.0
155.08424	2.1
159.11629	8.6
161.05934	12.8
161.09610	2.4
161.13202	4.4
162.06401	2.1
163.07402	5.9
163.11197	8.6
165.12723	7.5
167.07115	4.3
171.11714	2.6
171.13676	2.8
173.13219	3.2
175.07544	4.4
177.16380	3.5
181.04884	3.0
181.12030	4.1
187.14825	2.5
189.05392	2.5
189.09055	2.8
203.17952	2.8
215.18193	4.5
237.18466	4.6
265.08481	4.6
271.08554	3.4
277.25290	2.5
289.25180	8.0
297.06512	5.3
297.11047	3.5
307.26270	26.7
311.12753	11.3
325.14163	4.0
325.27295	4.0
335.72635	2.5
343.11649	5.7
343.15350	6.8
343.22589	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.80903	2.2
53.03954	5.5
55.01868	6.5
55.05509	16.6
57.03424	8.0
57.07057	8.8
57.84877	2.0
59.04980	5.7
61.96784	2.1
63.20799	2.2
64.17070	2.2
65.03931	2.1
67.05503	23.0
68.72916	2.0
69.03423	9.6
69.07047	7.3
70.11938	10.8
71.04987	25.8
79.05494	23.2
81.03418	4.3
81.07052	38.6
83.04968	7.4
83.08657	2.8
85.06521	6.5
91.05473	36.5
93.07034	83.9
93.36922	2.1
95.04356	3.5
95.04965	62.4
95.08598	87.1
97.06508	15.9
103.05475	4.5
105.07021	85.2
107.04954	3.7
107.08584	66.4
109.06527	21.4
109.07201	3.6
109.10158	5.1
111.08080	3.1
115.05440	7.4
117.07019	31.2
119.08585	31.3
121.06519	17.8
121.10136	22.2
122.07274	2.9
123.08061	35.3
129.06995	8.1
130.07793	23.0
131.08566	11.5
133.06476	8.0
133.10109	21.1
135.08046	27.6
135.11662	18.6
137.05992	3.7
137.09633	7.7
141.07034	2.1
142.07771	4.1
143.08534	15.1
144.09352	3.8
145.10115	100.0
146.10486	2.5
147.08032	13.2
147.11633	5.3
149.09583	7.6
151.07529	58.2
153.09077	4.3
155.08546	3.6
156.09363	4.2
157.10144	12.6
159.08078	5.0
159.11679	7.4
161.09615	14.4
161.13272	7.6
163.11171	74.2
164.11514	3.8
165.09117	22.5
169.10112	5.7
171.11703	6.7
173.09631	6.3
173.13232	4.1
175.11253	3.2
177.09132	6.8
179.07066	4.5
181.12219	2.6
183.11703	5.4
185.09518	2.9
187.11165	7.0
187.14900	3.5
189.12737	16.5
191.14276	4.3
193.10149	2.4
195.11693	2.6
197.13264	4.4
199.11305	3.0
199.14821	2.8
203.14285	12.6
207.11858	2.6
207.13739	5.8
209.13283	2.8
209.15327	4.9
215.14244	4.6
217.12276	3.1
220.28000	2.2
221.15344	36.5
223.14804	3.9
227.14270	3.1
233.15439	5.8
240.10411	2.5
241.15981	2.2
247.17006	2.9
259.16837	2.3
263.16376	6.2
266.76413	2.1
266.94812	2.6
267.17450	2.2
269.15387	5.6
286.19281	4.0
287.16409	2.7
287.20004	3.5
291.52295	2.5
325.21524	11.9
343.22668	93.0
343.26788	4.9
344.22998	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	6.4
54.63340	1.6
55.01849	6.2
55.05506	16.9
57.03429	9.7
57.07069	9.1
59.04975	6.9
65.03899	1.8
67.05171	2.0
67.05497	29.7
69.03419	11.3
69.07040	6.2
69.25546	6.8
69.25970	15.4
71.04984	28.8
79.05485	27.9
80.41477	1.6
81.03391	4.6
81.07046	32.5
83.04958	7.2
83.87807	1.9
85.06482	3.3
89.17003	1.8
91.05466	45.2
93.07029	78.9
95.04359	3.2
95.04956	56.0
95.08595	92.1
97.06515	18.3
103.05471	2.6
105.07015	95.3
107.04931	5.5
107.08576	53.0
109.06505	17.7
109.10142	4.2
111.04383	1.9
115.05441	7.3
116.06198	2.0
117.07001	33.3
119.08570	33.6
121.06482	15.6
121.10117	20.4
122.07254	2.3
123.08058	30.0
123.11672	2.5
125.05972	3.9
128.06184	3.3
129.06969	8.1
130.07761	17.5
131.08513	11.6
133.06497	9.6
133.10094	16.3
135.08041	28.4
135.11687	19.4
137.05952	3.5
137.09555	6.0
143.08546	14.9
144.09387	3.4
145.10098	100.0
146.10495	2.5
147.08038	15.4
147.11656	6.6
149.09628	4.7
151.07509	49.4
153.09052	4.7
155.08525	3.2
156.09290	4.0
157.10048	8.4
159.08058	4.3
159.11736	9.0
161.09572	12.6
161.13211	5.8
163.11168	78.9
165.09108	19.1
167.06985	1.9
169.10109	3.5
171.11667	4.5
172.79309	1.8
173.09612	7.4
173.13263	4.8
175.11223	4.1
177.09055	5.8
179.06996	8.2
179.08488	3.0
182.10826	2.7
183.11700	2.3
185.13277	2.8
187.11157	8.8
189.12732	12.4
191.10635	2.2
191.14343	3.6
195.11681	3.1
195.47871	1.9
197.13202	4.3
199.14742	3.8
201.12692	2.0
203.14307	10.7
207.13766	6.6
208.12260	2.1
209.13213	2.8
209.15346	4.5
211.14716	2.6
215.14221	3.0
217.12146	2.3
221.13206	1.6
221.15311	31.3
223.14848	2.2
225.12811	2.0
227.14325	2.5
233.15295	5.1
237.16338	2.0
243.13750	3.1
259.16904	2.1
263.16455	7.0
265.19476	2.1
269.15326	3.3
286.19186	6.8
287.16403	3.3
287.19846	3.3
307.20496	3.0
325.21597	9.0
343.22626	85.4
343.26266	8.0
344.19650	2.4
344.23218	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	343.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44872	1.0
53.03922	1.8
55.01854	2.4
55.05499	2.5
57.03413	4.0
57.07056	2.3
61.02909	4.3
67.05489	2.8
69.03417	13.8
69.07066	1.7
70.06585	2.5
71.04981	2.6
71.58125	1.7
72.08147	1.8
72.45486	1.0
73.02902	1.0
79.05474	5.5
81.03396	6.5
81.07048	9.1
83.04975	5.2
83.08607	1.2
84.08125	3.3
85.02896	35.3
87.04438	2.8
89.03904	1.9
91.03938	2.9
91.05463	7.0
93.06450	1.4
93.07024	11.0
95.04956	19.0
95.08582	1.9
97.02873	14.7
97.06514	2.5
99.04424	2.8
105.07017	9.9
107.04921	2.9
107.08582	12.2
109.02852	4.1
109.06497	2.9
111.08094	1.1
112.11219	4.9
115.05396	1.3
117.03355	4.4
117.07001	3.7
119.08553	5.3
121.06470	4.3
121.10119	13.7
123.04379	1.1
123.08083	2.4
125.05987	11.0
127.03911	9.0
130.07745	3.3
132.49396	1.0
133.06470	1.1
133.10097	1.5
135.08060	1.2
135.11664	7.1
137.05937	3.3
142.03192	2.1
145.02823	8.5
145.04915	8.2
145.10091	18.2
147.08067	1.5
149.05960	3.3
153.05469	2.7
161.09601	1.2
162.05457	1.2
163.11162	100.0
167.07007	1.4
172.03864	1.4
175.11153	2.1
177.05428	11.7
177.55554	1.2
181.08290	1.4
181.12202	19.8
190.05026	5.3
203.05345	1.7
205.12149	1.5
207.06546	1.2
223.13245	1.5
260.29816	1.1
273.23053	1.0
294.16055	1.3
307.15237	1.5
343.13614	9.2
343.17459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	2'-epi-Guianin
Peak:m/z	Relative Intensity
55.01847	2.5
55.74573	1.5
56.38299	1.6
56.39829	2.0
57.03398	3.4
67.05466	2.5
69.03383	2.3
71.59036	1.8
79.05482	10.4
80.04974	2.0
81.07039	13.6
89.03891	1.8
91.05474	17.6
93.07005	2.6
94.04124	2.8
95.04915	6.4
97.02816	3.3
99.08044	3.4
102.04633	3.1
103.05470	20.8
105.07013	15.4
107.04946	33.8
107.08549	2.5
109.06482	3.6
109.10106	3.0
111.08012	2.1
115.05449	11.7
116.01590	6.9
117.03326	2.2
117.06946	5.7
119.04851	4.3
121.06457	5.1
121.10117	2.1
122.03580	7.0
122.07200	8.1
122.67236	1.7
125.05916	3.2
129.06935	4.0
130.04080	6.5
131.04915	15.2
133.06476	11.1
135.07954	8.0
137.05960	83.5
141.06917	8.0
142.03084	7.2
144.01070	2.6
145.06386	6.4
146.03604	9.5
147.04420	12.6
147.07936	4.4
149.05954	14.8
151.03780	3.0
151.07509	9.2
153.01715	4.1
153.05325	5.2
153.06693	1.9
157.06406	2.6
158.07204	3.0
160.05103	3.3
161.05959	76.9
162.02101	7.9
162.06737	26.2
163.07529	43.2
163.11031	1.9
165.06837	4.2
166.78957	1.6
167.07036	3.1
167.08417	2.4
169.06352	7.8
170.02551	5.2
170.07089	1.7
173.09457	5.0
174.06595	2.9
175.07524	58.7
177.05440	2.9
177.06859	2.6
177.08955	7.9
178.07652	2.6
179.08420	5.8
181.06383	4.2
181.08620	9.5
181.09900	2.6
186.06743	1.9
187.07408	2.8
189.06816	3.4
189.08983	3.2
190.07623	6.1
194.07127	8.3
195.07883	4.9
201.09132	8.7
203.08476	4.0
204.09204	3.9
205.06523	8.4
205.10139	9.2
206.06970	2.7
207.08029	8.8
208.08716	2.2
209.05840	2.9
209.09468	7.2
211.07356	5.0
215.08481	3.8
218.07126	6.2
219.07809	4.9
219.10033	14.2
221.06044	8.7
221.09447	5.7
222.06699	11.1
222.10023	2.4
223.07379	4.4
224.08141	7.4
225.08972	2.1
226.05933	1.9
232.08566	3.3
233.05821	4.3
233.09566	18.7
234.06567	3.7
234.10133	3.0
235.07555	14.9
236.08131	6.1
237.05431	3.0
237.09019	15.3
237.12611	2.7
239.06871	6.2
239.10512	4.5
241.08427	5.4
245.05841	2.6
247.07486	2.4
249.08914	4.4
250.06007	7.4
250.09869	9.7
251.06827	7.4
251.10526	3.0
252.07663	5.9
253.08409	6.5
254.09166	6.1
261.09082	16.0
262.09741	3.5
263.06760	5.6
264.07468	4.3
265.05869	2.7
265.08371	31.9
265.12006	13.5
266.09125	3.0
267.06253	2.7
267.09930	13.1
268.10461	1.9
269.07840	12.7
269.11618	2.7
278.09079	6.9
279.09866	7.6
281.07806	5.8
281.11313	2.6
282.08795	12.5
282.11551	2.7
283.09442	3.1
283.13031	3.3
284.10406	17.3
285.10654	1.8
293.11676	32.3
294.12228	3.2
295.09454	5.8
296.10284	5.4
297.11221	78.2
297.14584	10.6
298.11298	6.2
299.12732	40.8
310.11865	9.3
311.12741	100.0
312.12823	6.5
313.14215	2.7
325.14328	47.5
326.03748	2.2
326.14447	3.4
343.15155	62.4
344.15295	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.55075	2.2
53.03934	5.0
55.01855	8.0
55.05260	2.2
55.05506	20.4
56.46457	1.8
57.03429	10.2
57.07059	8.9
59.04973	6.3
65.03942	1.9
67.05493	30.5
69.03423	11.1
69.07051	9.4
70.65924	6.5
71.04974	25.5
77.24524	2.0
79.05486	27.9
81.03393	4.1
81.07049	37.2
83.04964	8.1
83.22716	1.7
85.06525	5.9
91.05463	46.6
93.07033	88.2
95.04354	3.8
95.04957	71.6
95.08595	90.1
96.08951	2.3
97.06519	18.1
103.05438	3.0
105.07018	98.2
107.04936	6.5
107.08581	57.4
107.87614	1.9
109.06525	19.2
109.10167	5.8
115.05438	7.7
116.06175	2.2
117.06995	35.7
117.35271	2.3
119.08578	42.2
121.06483	16.5
121.09278	2.8
121.10114	21.6
122.07265	3.2
123.08057	38.0
125.05952	5.9
128.06207	3.7
129.06982	7.2
130.07776	23.2
131.08546	10.2
133.06465	6.0
133.10097	23.7
134.99625	2.8
135.08047	29.3
135.11678	18.7
137.05904	2.5
137.09608	5.1
141.07019	3.3
142.07739	4.5
143.08516	14.3
145.06461	3.9
145.10106	100.0
146.10506	3.0
147.08037	15.0
147.11636	5.7
148.08698	2.0
149.09590	9.4
151.07523	60.9
153.09044	4.0
155.08488	4.3
155.96399	1.9
156.09337	3.2
157.10088	12.1
158.62199	2.0
159.07985	4.4
159.11659	9.0
161.09569	15.1
161.13275	4.3
163.07481	4.3
163.11156	78.5
165.09102	20.1
169.10109	5.1
170.90128	2.3
171.11720	6.6
173.09596	6.9
173.13232	4.4
175.11183	7.3
177.09102	9.2
179.07030	4.7
179.10608	2.5
181.12248	5.6
182.10806	2.8
183.11687	4.5
185.09454	3.5
185.13240	4.2
187.11168	9.2
187.14804	2.4
189.09055	4.0
189.12709	13.1
191.14333	3.5
195.11742	3.7
197.13272	5.3
199.11201	3.3
203.14293	9.5
207.10069	4.9
207.13779	10.9
209.13242	2.8
209.15454	3.7
213.12737	2.4
213.16368	2.3
215.14262	2.2
217.12300	2.2
221.15359	35.1
225.12741	2.1
227.14333	3.1
233.15286	3.0
243.13774	2.4
263.16379	6.1
269.15298	6.6
282.27673	2.4
286.19220	5.2
287.16550	3.0
287.19925	3.7
325.21701	11.0
325.25055	2.2
343.22638	95.1
344.22931	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	343.1535
Annotation	2'-epi-Guianin
Peak:m/z	Relative Intensity
53.19441	1.2
55.01855	2.7
55.05475	1.2
56.65026	1.2
67.05474	1.4
69.03408	2.2
71.04971	1.8
71.59520	1.8
79.05471	6.5
81.07029	1.8
88.03973	1.4
91.05476	15.7
91.96745	1.2
92.06294	1.2
93.07026	3.0
94.04147	2.9
95.04938	4.5
102.04655	4.1
103.05463	16.8
103.81979	1.2
105.03410	2.0
105.07011	13.4
106.04138	2.6
107.04202	1.4
107.04935	25.8
109.06494	5.7
115.05460	12.0
117.06982	3.8
119.04898	4.2
119.53088	1.3
119.89229	1.4
121.06482	5.9
122.03628	6.0
122.07254	5.6
125.09612	1.4
128.06229	2.0
129.06978	2.9
130.04128	6.2
131.04924	15.8
133.06479	9.0
134.04477	1.7
135.08029	6.2
137.05959	100.0
138.06299	2.3
141.06967	3.5
143.04883	2.5
143.05972	1.4
145.06425	2.3
146.03615	7.2
147.04404	13.1
147.08017	2.5
148.08794	2.9
149.05954	10.5
151.03836	3.2
151.07520	12.5
157.06441	1.8
158.07230	3.1
160.05144	3.3
161.05954	61.3
162.06746	24.2
163.07524	46.0
163.08554	0.9
165.07024	1.7
165.09116	1.3
166.07805	1.8
169.06474	5.3
170.07239	1.6
173.09480	3.5
175.07524	47.4
177.05434	4.1
177.09070	6.9
178.07697	1.9
179.08531	5.3
179.10693	2.6
181.06624	1.7
181.08522	8.3
181.09918	1.8
187.07530	2.5
189.07022	2.1
189.08975	1.7
190.04950	2.1
190.07771	4.7
191.08562	1.7
193.06459	1.7
193.08482	2.7
194.07266	6.3
195.08052	2.6
201.09077	6.0
203.08548	1.8
204.38145	1.5
205.06451	4.0
205.10147	7.6
207.08047	7.6
209.05981	3.0
209.09607	4.6
211.07558	3.2
215.08607	1.8
218.07230	3.9
219.08067	2.8
219.10088	15.3
221.05946	5.0
221.09634	3.6
222.06737	6.8
222.10245	2.0
223.07564	3.3
224.08275	2.6
229.14346	1.4
233.05894	3.4
233.09560	14.2
234.06703	2.8
234.10144	2.3
235.07532	9.2
236.08173	4.0
237.05537	1.5
237.09071	12.4
237.12726	2.3
238.09708	1.5
239.07016	3.1
239.10600	3.8
241.08542	2.7
246.06615	2.0
249.05515	1.5
249.09019	2.8
250.06195	5.2
250.09900	6.2
251.06866	3.4
251.10634	2.6
252.07712	3.7
253.08537	3.3
253.60808	1.5
254.09328	6.0
261.09055	7.3
262.09793	2.0
263.06967	2.5
264.07797	4.8
265.08554	27.0
265.12189	10.9
266.09131	2.3
267.06363	1.9
267.10120	11.4
269.08017	8.2
269.11383	2.6
278.09341	5.9
279.10141	4.1
281.08051	3.0
282.08926	7.6
283.09576	1.7
283.13010	2.0
284.10428	13.0
293.11713	22.3
294.12262	3.7
295.09729	2.9
295.13269	1.4
296.10342	2.7
297.11246	52.7
297.14734	9.7
298.11404	3.8
299.12720	38.9
300.13159	2.1
310.11914	6.1
311.12723	94.6
312.13354	6.5
325.14297	37.0
325.18118	1.8
326.14899	2.8
343.15341	60.0
344.15738	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	343.1535
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
51.30148	1.5
64.21709	1.3
65.03938	1.3
67.05483	2.1
69.03401	1.8
70.75557	4.0
79.05482	3.3
81.07040	4.2
81.42268	1.4
91.05473	5.9
93.07028	2.7
95.04974	3.0
103.05465	14.7
105.07015	13.9
107.04945	7.1
107.08557	2.4
109.06499	3.2
109.10170	1.8
115.05447	6.5
117.07019	2.8
119.08564	1.9
121.06490	2.5
121.10134	1.6
122.03645	1.9
123.11684	1.5
128.06230	2.2
129.06996	3.9
131.04906	16.8
133.06514	7.0
135.08017	1.9
135.11656	1.8
137.05954	30.3
141.07013	2.5
145.06448	2.5
146.03625	13.4
147.04361	3.2
149.05957	10.4
151.03903	4.7
151.07487	10.1
153.01807	5.1
157.06488	2.2
158.07268	2.8
161.05963	100.0
162.06465	3.1
163.06123	1.9
163.07509	40.1
163.11198	1.7
165.07004	2.7
166.07768	3.8
167.07054	4.1
167.08543	1.8
169.06500	2.0
173.09662	5.0
174.06747	2.8
175.07535	48.3
177.06996	1.7
178.07806	3.5
179.08534	8.0
181.06529	3.5
181.08571	5.6
181.10011	1.8
186.06789	1.6
189.07191	2.9
189.09108	11.0
190.07770	5.3
191.08429	2.4
193.06590	2.3
194.07227	8.8
195.08052	3.3
201.09082	2.0
202.07829	2.2
203.08485	3.4
204.09384	3.2
205.06520	7.9
205.10126	8.1
206.07129	1.9
207.08011	11.0
208.08746	1.9
209.05884	2.2
209.09581	3.7
210.06625	2.2
211.07504	2.2
215.08527	3.3
218.07240	4.3
219.07996	3.6
219.10068	2.9
221.06000	7.8
221.09576	4.0
222.06746	9.1
222.10388	3.1
223.07509	4.5
224.08366	4.7
225.09175	3.0
231.08160	2.2
232.08861	3.9
233.05989	2.8
233.09583	14.0
234.06693	3.9
234.10406	4.7
235.07448	10.2
236.08202	2.8
237.05487	4.1
237.09091	17.0
237.12762	1.8
239.06952	2.6
239.10637	4.8
241.08473	3.3
247.07616	2.4
249.05437	2.8
249.09105	4.2
250.06261	9.3
250.09828	9.5
251.07042	5.0
251.10675	4.1
252.07741	4.1
253.08467	4.7
254.09387	3.5
261.09222	11.0
262.09772	3.0
263.07013	4.7
264.07788	6.5
265.08585	38.1
265.12186	10.5
265.73032	1.4
266.09018	4.0
267.10147	12.0
268.10861	2.6
269.08051	11.4
275.10776	1.5
277.08514	2.8
278.09348	9.8
279.10129	4.5
281.08090	4.4
282.08835	9.2
283.09625	1.7
283.13251	4.7
284.10443	14.2
293.11694	27.7
294.12424	4.3
295.09625	4.9
296.10403	3.2
297.11194	46.4
297.14764	10.9
298.11420	1.7
299.12738	15.1
310.11963	6.0
311.12729	61.0
312.13379	3.1
315.15909	1.7
325.14359	30.9
343.15375	69.7
344.15598	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	343.1536
Annotation	2'-epi-Guianin
Peak:m/z	Relative Intensity
55.01854	1.6
64.21700	1.0
70.06586	1.2
70.84603	2.9
72.40910	1.0
79.05489	2.9
81.07045	2.2
91.05472	6.9
94.04176	2.5
95.04948	2.4
103.05459	7.4
105.07015	7.7
107.04926	9.0
109.06487	1.6
115.05447	3.8
117.07014	2.7
119.04951	1.3
121.06481	2.1
122.03600	7.8
123.08084	1.2
128.06226	1.4
130.04156	1.8
131.04921	7.1
133.06467	6.6
135.08052	3.3
137.05963	100.0
137.27930	1.0
138.06294	2.3
141.06975	2.2
143.04961	1.4
145.06473	3.6
146.03616	5.3
147.04378	4.6
147.08105	1.7
149.05940	6.0
151.03886	2.7
151.07541	7.9
153.06966	1.0
157.06537	1.8
158.07263	1.6
159.08057	1.5
161.05971	24.7
162.06763	7.7
163.07527	19.0
163.11211	1.2
165.06979	1.4
165.09117	3.2
166.07805	1.1
167.07083	4.9
167.08307	1.1
169.06482	2.6
173.09561	1.6
174.06760	1.4
175.07516	21.0
177.05402	4.1
177.06815	1.2
177.09125	2.7
179.08496	2.1
181.06441	1.1
181.08537	6.5
187.07516	1.8
189.06952	1.3
189.09079	2.3
190.07721	2.8
191.08524	1.3
193.08575	1.0
194.07234	3.6
195.08072	1.8
201.09035	4.7
205.06471	2.8
205.10069	2.9
206.07170	1.5
207.08054	4.2
208.08734	1.1
209.06003	1.1
209.09602	2.2
211.07523	2.2
218.07274	3.0
219.08241	1.5
219.10056	4.6
221.05959	2.3
221.09575	1.7
222.06775	3.4
222.10223	1.6
223.07526	2.2
224.08272	2.2
232.08832	1.5
233.09622	7.9
234.06799	1.2
234.10318	1.6
235.07513	5.6
236.08203	1.4
237.05338	1.4
237.09090	7.5
239.06963	1.9
239.10812	2.3
241.08499	2.1
249.05406	1.1
249.09082	1.3
250.06288	2.3
250.09877	3.5
251.07031	2.3
251.10677	2.0
252.07828	2.4
253.08640	2.4
254.09329	3.6
256.31808	0.9
261.09079	4.3
263.07086	1.8
264.07782	2.4
265.08609	11.0
265.12210	3.4
266.09286	1.3
267.10110	5.8
268.10611	1.2
269.08060	5.4
277.08664	1.0
278.09250	2.4
279.10046	3.9
281.08075	2.1
282.08865	6.2
283.09891	1.4
283.13245	1.5
283.43250	1.3
284.10416	5.8
293.11676	14.0
294.12454	4.5
295.09567	3.1
296.10339	1.9
297.11212	38.8
297.14655	3.2
298.11563	1.5
299.12741	15.9
310.12036	4.8
311.12756	14.7
325.14273	24.0
327.04956	1.3
343.04385	3.2
343.15393	21.9
344.15543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
53.03936	4.9
55.01867	3.0
55.05499	4.1
55.70996	2.1
56.96550	1.8
57.03417	2.0
58.99582	3.3
61.60953	1.7
64.74818	2.1
67.05493	3.3
69.03400	3.7
69.07063	2.8
69.75358	7.8
69.75784	5.6
70.06581	2.1
71.05010	2.7
79.05491	14.6
81.03416	3.3
81.07062	18.6
85.02942	2.2
85.06509	2.5
86.99033	2.3
90.91364	1.9
91.05476	25.5
93.07031	7.6
94.04172	5.5
94.27815	2.0
95.04966	7.0
97.02874	7.9
98.21386	2.6
102.04671	6.2
103.05466	24.3
104.06285	2.3
105.07021	17.3
107.04945	35.2
107.08578	6.0
109.06522	4.1
109.10167	7.0
111.08072	2.6
111.15115	2.1
115.05444	14.2
116.01668	11.5
117.07009	5.2
119.04941	6.2
119.08565	3.7
121.02848	3.4
121.06482	8.1
121.10088	2.3
122.03629	6.4
122.07283	9.5
123.04456	2.6
123.11661	3.1
128.06215	3.7
129.06999	4.5
130.04152	11.7
131.04929	22.9
131.08553	2.6
133.06525	12.5
134.04475	2.2
135.08058	7.1
136.18196	2.1
137.05971	89.3
138.06340	4.3
141.06982	5.9
142.03214	18.5
143.08601	1.9
144.01093	4.7
144.05667	2.2
145.06448	5.5
145.10182	2.7
146.03648	13.2
147.04420	15.4
147.08035	4.7
149.05968	16.5
151.03902	3.9
151.07500	12.4
153.01860	3.7
153.05484	2.5
157.06506	3.3
158.07265	4.2
160.05162	5.1
161.05971	67.6
162.02203	9.5
162.06769	27.1
163.07535	49.7
163.11221	3.2
165.06950	6.5
166.07784	3.7
167.07059	3.5
167.08499	3.8
169.06465	4.6
170.02696	4.8
173.09535	3.8
174.06763	3.3
175.06021	3.2
175.07544	55.5
177.05473	5.4
177.06923	3.2
177.09119	7.0
178.07817	3.9
179.08574	5.5
181.06468	4.5
181.08582	12.1
181.09988	2.2
187.07559	4.3
189.09114	5.7
190.04947	8.2
190.07814	7.4
191.08554	4.2
191.14276	2.8
193.06662	2.6
193.08614	3.5
194.07309	10.8
195.08028	3.6
201.09099	5.2
203.08501	3.4
204.09323	2.3
205.06526	6.6
205.10112	9.9
206.07199	2.8
207.08020	12.3
209.05899	3.5
209.09560	4.1
211.07498	4.6
213.08989	2.2
215.08589	6.1
218.07280	7.1
219.08188	3.9
219.10173	15.9
221.05946	3.4
221.09558	4.4
222.06741	8.8
222.10236	2.7
223.07605	3.8
223.11180	2.5
224.08261	5.7
225.09059	4.9
227.04909	2.7
232.08752	2.8
233.05925	4.8
233.09636	13.8
234.10434	3.5
235.07521	10.9
236.08260	6.6
237.05452	4.8
237.09035	17.8
238.09854	2.6
239.07013	5.8
239.10735	4.6
241.08469	3.3
247.07492	4.3
249.09016	6.5
250.06248	8.1
250.09801	11.6
251.07042	5.7
251.10606	4.5
252.07768	5.3
253.08569	5.0
254.09384	5.3
261.09027	13.5
262.09866	4.4
263.07083	7.1
264.07843	7.9
265.08585	28.4
265.11765	11.7
266.09256	5.2
267.06815	1.9
267.10147	9.1
269.08041	10.9
269.11728	2.4
275.10730	2.5
277.08609	3.4
278.09235	4.5
279.10123	5.0
281.07983	4.2
281.11279	3.1
282.08871	13.2
282.11734	2.3
283.13394	3.3
284.10339	13.5
293.11636	34.0
294.12329	6.0
295.09592	5.5
296.10406	3.0
297.11249	72.0
297.14789	10.6
298.11554	3.3
299.12750	35.4
310.11978	7.6
311.09116	5.1
311.12735	100.0
312.13058	5.7
313.14383	3.2
325.14273	41.0
326.14572	2.7
343.10922	2.8
343.14954	50.1
344.08197	2.8
344.15591	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	343.1533
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
52.33121	0.8
53.03930	1.0
55.01864	1.3
55.05505	15.8
67.05490	1.4
71.04967	0.7
79.05474	2.0
81.07042	3.7
82.06570	1.1
83.04945	0.7
83.08610	10.5
85.02950	0.8
86.06832	0.7
91.05446	4.0
93.07024	1.1
94.04192	1.7
95.04974	1.0
95.08602	1.2
97.43523	0.7
98.09677	1.1
98.97556	1.5
99.08096	1.3
100.11243	100.0
101.11589	1.4
102.04820	0.7
103.05454	8.0
105.07028	5.4
107.04933	5.1
107.08596	1.1
109.06490	1.8
110.06006	1.3
115.05466	3.9
116.01703	0.8
116.98598	1.0
117.03403	1.2
117.06982	2.0
117.13912	1.7
118.04099	1.1
119.04907	0.9
121.06490	0.9
122.03660	3.9
123.08055	0.8
127.08762	0.8
128.06181	1.5
128.07037	1.2
129.06969	1.0
130.04144	0.8
131.04910	12.3
131.08554	1.1
132.05620	0.9
133.06491	2.9
133.10052	0.9
135.08054	1.1
137.05960	53.1
137.09641	1.7
139.08690	1.1
141.06989	2.5
142.03188	2.6
143.04950	0.8
145.06503	1.6
146.03590	10.3
147.04379	1.0
147.08022	1.4
149.05988	4.8
151.03967	1.1
151.07542	7.0
152.06255	1.2
153.06911	0.8
157.06439	1.3
158.07275	2.4
158.99681	0.9
160.05228	2.7
161.05963	59.8
162.02208	1.9
162.06509	1.2
163.05365	0.8
163.07527	20.2
165.06985	1.5
165.09192	1.2
166.07727	1.6
167.07043	1.0
167.08510	1.0
169.06467	4.1
170.02722	1.3
173.09579	1.4
174.06721	1.5
175.07529	39.7
176.07996	0.8
177.00673	1.0
177.05457	2.9
177.06967	2.0
177.09099	3.2
178.07758	2.0
179.08543	4.1
181.06471	2.4
181.08611	2.2
183.08107	1.0
187.07562	1.4
189.06989	1.3
189.09073	1.9
190.07758	4.1
191.08455	1.5
192.08890	0.8
193.08574	5.3
193.10165	1.5
194.07257	5.2
195.08055	1.8
197.09502	0.7
201.09073	6.2
203.08578	1.6
204.09212	1.1
205.06447	4.0
205.10112	5.4
206.07227	1.3
207.08052	6.4
208.08760	1.4
209.05945	2.5
209.09557	3.8
209.16467	16.5
211.07495	1.5
215.08633	2.0
218.07234	4.0
219.07988	2.5
219.10109	17.0
221.06033	4.4
221.09534	2.9
222.06729	7.3
222.10233	1.5
223.07397	2.9
224.08263	4.9
225.09090	1.0
226.06207	0.8
227.17499	4.0
229.22217	1.1
232.08798	2.2
233.05959	3.0
233.09579	9.8
234.06676	2.8
234.10257	2.1
235.07469	6.5
236.08217	3.3
237.05409	2.0
237.09081	10.7
237.12759	0.8
238.06270	1.4
238.09624	1.3
239.07031	2.0
239.10652	3.2
241.08542	3.6
249.05385	2.4
249.09151	3.8
250.06203	5.8
250.09807	5.2
251.07024	2.5
251.10510	2.1
252.07690	3.5
253.08572	2.8
254.09290	1.7
261.09131	6.6
262.09848	1.8
263.07019	3.3
264.07813	3.0
265.08600	21.3
265.12204	6.7
266.09155	2.3
267.07272	1.1
267.10107	8.6
268.07410	0.9
268.10782	1.6
269.07974	6.4
275.10568	0.9
277.08612	1.6
278.09308	5.0
279.10135	3.8
281.08096	1.8
281.11511	1.1
282.08691	4.5
283.09641	1.3
283.13171	2.1
284.10370	7.5
285.10648	1.0
293.11679	19.4
294.12473	2.0
295.09662	4.4
296.10434	1.8
297.11218	30.8
297.14673	2.5
298.11505	1.3
299.12735	24.9
300.13266	1.2
310.11887	3.9
311.12741	28.8
312.13364	1.5
325.14255	15.6
326.28116	0.8
328.12573	5.5
343.11890	1.4
343.15292	40.3
343.30637	83.5
344.15607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	8.7
61.02890	12.5
69.03412	15.0
70.74628	16.9
72.08142	100.0
85.02873	40.7
97.02872	6.9
97.72969	6.5
118.08633	91.3
118.16977	6.6
120.32998	6.9
127.03863	17.3
128.74686	8.9
145.04951	20.5
156.89850	6.6
178.51271	7.1
302.04517	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97608	1.4
52.58641	1.7
56.05019	1.8
57.03427	6.2
69.03413	3.6
69.52724	1.7
69.53044	14.0
70.06562	4.2
71.04964	2.4
71.08615	5.0
79.05475	2.4
81.07050	16.6
85.02885	14.3
85.06532	2.8
86.09696	1.8
97.02877	3.9
99.08082	21.8
109.02878	2.6
109.06509	17.4
111.05546	7.2
117.09117	100.0
119.04969	2.2
125.07049	2.2
126.05535	2.2
127.03890	3.1
127.07534	44.2
139.05045	7.9
147.04391	3.4
163.09639	23.7
165.74690	1.6
167.06961	2.2
167.11774	2.1
175.03886	2.3
177.04364	1.9
195.11253	24.3
208.06937	2.9
209.07048	6.0
302.69479	1.8
324.15567	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	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03420	2.0
57.07067	14.9
59.04993	1.4
61.02929	1.5
62.80286	1.1
69.03421	2.8
69.55030	8.7
72.84818	1.0
76.01936	1.0
83.08607	4.6
85.02412	1.7
85.02898	15.7
87.10092	1.3
89.06021	34.6
97.02872	4.5
101.09645	15.9
107.07060	42.3
107.08549	1.7
109.02858	2.4
127.03888	1.9
134.03331	1.4
134.04405	1.9
145.04892	1.2
163.13281	100.0
194.78075	1.2
259.09564	1.6
278.13965	1.7
342.06033	3.1
343.04538	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	341.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59110	4.5
55.05484	11.1
57.07071	4.6
58.16464	3.7
67.05484	19.9
69.07039	14.5
71.04979	5.2
71.33252	8.0
72.21680	4.1
75.24680	4.0
79.05460	13.1
81.07051	31.3
83.08581	8.8
85.06522	10.6
91.05453	13.9
93.07028	30.4
95.08592	63.1
97.10123	7.3
102.93254	3.8
105.06380	3.9
105.07011	24.4
107.08578	46.8
109.06442	5.2
109.10136	53.3
113.09621	4.3
119.08570	29.5
121.10124	49.1
123.08046	3.8
123.11670	15.7
131.08525	8.2
133.10098	24.8
135.11681	30.7
137.09619	6.5
143.08549	4.9
145.10078	18.2
147.11687	20.5
149.13199	9.4
151.11180	10.1
157.10109	7.7
159.11681	20.4
161.13260	20.3
163.14839	8.5
171.11629	8.5
173.13287	9.3
175.14787	13.7
177.16360	6.0
185.13246	5.6
187.14711	10.3
189.16353	13.8
191.17929	41.4
199.14848	7.8
201.16374	8.8
203.17914	32.9
213.16348	15.0
215.17883	7.4
217.19482	12.8
219.51025	4.2
227.17810	5.6
253.19464	4.6
271.20370	5.5
323.27216	31.2
341.26297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.3
55.05502	34.9
56.96549	9.7
57.03407	4.8
57.07057	13.3
59.05001	5.2
62.10784	3.4
67.05489	39.8
69.03409	15.7
69.06716	6.3
69.07063	88.8
70.73634	5.1
70.73965	9.4
71.04984	11.1
71.08608	8.1
71.49974	4.0
73.01105	4.0
77.58178	3.9
79.05469	27.3
81.07052	100.0
83.04978	6.8
83.08611	27.7
85.02905	5.2
85.06541	15.6
87.04447	5.4
88.03960	5.2
90.32265	5.0
90.94854	5.4
91.05464	26.9
93.07032	79.0
95.04953	22.9
95.08597	81.0
97.06533	18.2
99.04414	4.9
99.08065	6.6
100.11265	6.0
105.07032	36.8
107.04944	5.9
107.08582	52.3
109.06525	19.4
109.10151	53.7
111.04485	4.7
111.08102	19.9
111.11705	11.4
117.07008	7.3
119.08582	49.1
121.10130	64.2
123.08062	7.0
123.11697	29.4
125.09612	5.3
127.11154	6.4
131.04948	7.3
131.08546	14.1
133.10136	21.4
135.08080	4.9
135.11690	32.2
137.06012	9.0
137.09613	10.5
137.13232	12.4
139.11171	16.5
145.10149	12.9
147.11729	8.5
149.09534	9.2
149.13260	13.4
151.11134	9.9
153.12730	15.8
157.10127	10.8
159.08142	4.4
159.11685	13.5
161.09602	7.7
161.13239	9.1
163.11142	14.5
167.07056	5.5
167.10681	9.1
173.13275	5.8
175.07481	4.7
175.11273	6.3
175.14848	6.0
181.12167	7.4
187.14731	4.4
191.76093	4.4
193.12323	4.9
199.14946	6.9
226.14262	6.7
229.05240	6.3
244.15306	20.5
253.86591	4.1
266.09079	4.8
279.23181	4.4
281.11453	4.8
281.18491	4.3
285.07773	20.6
287.23373	9.2
293.24905	5.4
305.24759	23.7
308.09567	5.9
309.11295	5.9
323.12448	4.1
323.25778	12.6
341.10263	8.3
341.13861	15.8
341.21121	11.7
342.14423	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	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	30.6
56.02747	4.1
56.96570	7.4
57.03428	8.3
57.07071	10.7
59.04998	9.7
59.25524	4.2
59.62241	4.1
60.86647	4.3
61.02927	5.6
61.05261	3.8
67.05500	39.8
69.03425	20.9
69.07063	78.2
71.04978	9.6
71.60070	6.7
73.02922	5.9
79.05480	25.2
81.03418	10.1
81.07048	100.0
83.04990	10.1
83.08599	22.3
85.02901	13.9
85.06543	14.1
91.05482	18.4
93.07036	63.8
95.04971	17.5
95.08607	71.6
97.02869	9.0
97.06543	8.0
97.10165	19.7
98.97585	6.2
105.07024	41.4
107.04935	6.1
107.08581	46.0
109.06506	13.1
109.10156	47.5
111.08077	8.6
111.11706	12.5
116.98607	9.5
117.07042	7.5
119.08566	28.2
121.06500	6.1
121.10145	50.5
123.08090	7.2
123.11699	46.2
125.09631	4.8
129.07063	4.5
131.08488	5.0
133.04930	5.1
133.06474	7.1
133.10164	20.8
134.99661	8.2
135.08101	6.8
135.11679	28.2
137.05998	12.2
137.09560	9.6
137.13268	13.8
139.11172	20.3
143.08557	9.7
145.10149	8.6
146.91499	4.5
147.08095	6.5
147.11690	13.6
149.09579	5.8
149.13269	15.3
149.80067	4.1
151.07597	4.4
153.01801	7.2
153.12730	6.8
155.08447	4.1
157.10136	8.5
157.12326	8.7
159.11662	14.1
161.05962	5.6
161.09648	7.9
163.11177	7.2
163.14839	6.0
165.09113	6.7
165.12712	5.6
167.14220	5.7
173.13292	6.4
177.12753	4.6
178.12288	21.5
179.12579	19.5
181.12268	6.5
193.12321	5.7
249.18585	6.8
270.12543	5.1
275.08069	4.6
281.12128	4.8
287.23929	7.6
305.24753	24.6
308.50916	4.4
309.11426	7.9
323.25870	9.7
341.20859	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	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01862	1.8
65.83295	1.1
69.03419	1.2
70.06547	1.7
71.04958	1.8
71.59058	2.0
73.21048	1.2
79.05444	1.7
81.07022	2.3
84.08131	1.3
85.02859	2.6
86.09652	1.4
88.04006	1.5
91.05441	5.5
93.06992	1.5
94.04137	2.2
95.04922	1.9
97.02819	1.3
103.05388	2.6
105.06996	2.8
107.04901	3.6
107.08592	1.4
109.06476	3.7
110.07143	1.4
111.04405	1.4
115.05407	1.7
117.03306	2.0
117.06955	1.7
119.04899	1.8
121.06409	1.5
122.03619	9.7
123.08025	2.0
125.05972	2.2
128.06186	4.3
129.06976	8.9
131.04828	2.9
133.02814	2.7
133.13992	1.4
137.05960	100.0
140.66940	1.3
143.08446	2.0
144.05614	4.7
145.02847	1.3
145.06448	1.9
147.04359	1.9
149.05878	4.1
149.09573	1.4
151.03851	2.2
151.07468	4.3
153.05426	1.9
157.06520	7.5
158.07196	1.9
161.05948	3.4
161.09569	1.3
162.06609	1.3
163.07483	3.1
165.05374	2.3
167.07057	11.5
171.07971	2.1
172.05109	5.0
174.06766	10.9
175.07500	7.5
177.05286	3.7
178.07738	1.5
179.06927	2.6
181.04910	1.4
182.07253	1.3
187.07530	33.1
189.06882	1.3
189.07225	1.6
189.09087	18.9
190.07678	4.2
191.06891	2.5
191.08461	6.8
199.07452	4.1
202.07729	6.6
203.08502	21.8
205.06363	4.7
209.07971	2.1
211.07426	5.8
217.08540	21.1
218.07182	4.1
219.06195	1.8
219.08014	20.6
220.08757	7.6
221.09627	1.8
224.08020	1.8
225.09059	2.1
227.06895	4.5
230.07243	1.4
231.08002	22.4
232.08571	4.2
233.05861	2.2
233.09541	2.8
234.06683	2.0
235.07506	3.5
236.08147	5.1
237.09001	3.2
239.06972	2.8
240.07727	3.2
245.09486	2.2
246.06854	1.4
247.07477	15.0
248.08276	25.4
249.08917	4.2
250.06100	2.5
251.10567	5.7
253.08524	3.2
255.06438	3.4
255.15450	1.4
256.07120	2.7
259.07339	4.5
260.08133	2.8
261.09155	6.9
262.09683	1.7
263.06906	2.8
263.10641	21.5
264.07651	4.6
265.08636	7.1
266.09064	2.0
270.08917	6.3
271.09625	9.2
273.16602	2.0
276.07776	9.9
277.08459	5.3
277.65518	1.5
278.05829	1.6
279.10150	23.6
280.10770	3.0
281.07932	3.1
281.11566	2.8
283.09433	2.4
291.10120	46.0
292.10660	4.1
293.07938	4.6
293.11224	1.4
295.09595	2.2
296.10434	9.4
296.17746	1.6
297.11102	4.1
305.11505	2.7
308.10458	6.4
309.11142	10.6
311.12674	18.2
313.14191	2.0
323.09329	2.0
323.12759	35.8
324.13007	1.4
341.05692	2.8
341.13657	43.3
342.14267	1.8
351.18304	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
52.94020	2.2
54.83728	2.1
55.01865	2.2
69.03406	3.6
69.77671	14.9
70.06586	4.6
70.60100	2.0
71.04977	2.4
76.17481	2.1
79.05488	2.4
81.07030	2.7
84.08132	5.6
85.02896	4.1
86.09687	6.1
89.72604	2.7
91.05461	7.3
94.04176	2.0
107.04948	4.3
107.08560	2.0
109.06487	3.9
115.08485	2.1
119.04914	4.0
121.05489	1.9
121.06537	2.6
122.03625	6.9
128.06184	4.7
129.06993	10.0
133.02856	4.3
135.07983	2.0
137.02333	5.9
137.05974	100.0
138.05431	3.0
145.02795	2.9
145.06438	3.0
147.04449	3.7
149.05975	3.1
151.03899	3.1
151.07597	4.9
157.06433	7.3
161.05956	4.5
167.07025	2.8
169.58223	2.2
172.05226	6.9
174.06810	11.9
175.03879	2.6
175.07536	6.8
177.05463	6.5
179.06926	4.3
185.06078	2.8
187.07539	44.3
189.09097	18.8
190.07901	2.9
191.08568	3.8
196.71092	2.5
199.07512	4.9
202.07764	5.9
203.08479	12.2
205.06570	3.4
207.07803	12.3
211.07545	4.4
217.01323	2.4
217.08618	24.2
219.08070	9.9
220.08717	4.5
227.07014	7.1
231.08057	15.2
232.08723	3.5
233.05841	2.5
233.09659	2.8
236.08228	3.4
237.08984	2.9
239.06931	3.2
247.07558	10.5
248.08359	18.4
249.08942	2.9
251.10548	4.7
253.08598	2.6
255.06546	6.5
256.07227	3.8
259.07455	6.4
260.08517	2.7
263.10626	19.3
264.07761	6.3
265.08585	7.3
270.08890	12.8
271.09570	9.6
276.07803	8.1
277.08603	3.3
279.10175	13.9
281.08243	2.4
283.09500	4.8
291.10144	39.7
292.10727	4.2
293.08173	5.1
296.10312	7.4
308.10498	5.8
311.12762	16.8
323.12756	37.0
341.06348	5.9
341.13367	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	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01856	1.9
55.14318	1.0
55.66652	0.9
59.96287	1.1
62.81850	1.0
65.40604	1.0
66.30621	1.1
69.03410	2.2
69.28075	11.7
71.73840	1.1
78.04677	2.2
79.05463	3.2
81.07038	2.6
86.63127	1.2
91.05463	6.0
93.07043	1.3
94.04137	2.1
95.04926	2.3
95.08566	1.1
98.20759	2.0
103.05458	5.9
103.71463	1.1
105.07012	3.8
106.67366	1.0
107.04932	5.2
108.05700	1.2
109.06521	2.8
115.05448	2.2
116.06172	1.2
121.06476	3.4
122.03628	5.4
123.04426	1.0
123.08049	1.8
129.07011	5.8
131.04936	6.3
132.36179	1.1
133.02718	1.6
133.06436	2.4
135.04367	2.2
136.05196	6.6
137.05962	60.8
144.05659	2.1
145.06509	1.3
147.04384	2.4
149.05948	3.2
151.03860	2.1
151.07529	5.2
152.08316	18.1
153.05473	1.5
157.06464	2.7
159.08006	1.5
160.05138	1.9
161.05931	4.9
163.07539	2.3
165.05397	1.3
165.06836	1.2
166.06210	1.8
167.07002	3.5
172.05107	2.9
174.06740	5.5
175.07533	6.5
177.05455	1.7
177.09029	1.4
179.07077	1.4
181.08594	6.5
187.07507	12.3
188.08205	1.4
189.07027	1.5
189.09047	7.7
190.07718	2.6
191.07007	2.0
191.08514	8.5
192.09262	1.2
193.08556	5.0
193.10141	1.3
199.07512	2.6
201.09070	1.1
202.07707	6.5
203.06662	1.6
203.08539	26.9
205.06470	4.6
207.08046	1.6
207.98566	1.1
208.08794	1.5
211.07527	2.8
211.09552	1.7
217.08577	9.5
218.07240	2.7
219.08037	27.2
220.08806	9.3
221.09595	2.9
230.07222	1.3
231.08034	26.2
232.08778	6.2
233.06065	2.7
233.09532	2.7
235.07497	3.9
236.08286	3.8
237.08977	2.7
239.06953	1.8
242.38300	1.2
245.09549	1.9
247.07516	25.5
248.08301	26.6
249.05246	1.2
249.09019	5.7
250.06227	2.3
250.09879	2.6
251.06931	2.4
251.10680	5.9
253.08360	1.5
255.06477	2.1
259.07559	6.8
260.08194	3.0
261.09055	9.1
262.06354	1.0
262.09747	2.6
263.06973	2.2
263.07449	1.6
263.10635	34.3
264.07877	5.6
265.08536	7.0
270.08786	1.9
271.09442	1.4
276.07849	11.3
277.08600	7.7
278.09061	2.1
279.07059	1.9
279.10129	33.2
280.10733	2.8
281.08176	2.2
281.11584	3.4
284.10040	1.3
291.10092	50.5
292.10699	3.9
293.07986	3.9
295.09631	3.1
296.10400	3.7
297.10986	2.3
305.11560	1.5
308.10449	6.3
309.11172	19.6
310.11584	2.3
311.09314	1.2
311.12823	6.7
313.14154	1.4
323.12677	21.9
326.11328	1.8
341.13760	100.0
342.14108	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	340.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47217	1.2
54.14218	1.4
56.96558	1.9
59.43557	1.4
67.11358	1.2
70.06564	1.4
71.08628	18.4
71.59722	2.2
75.87453	2.0
88.11269	100.0
110.07146	3.1
119.04949	2.0
121.06467	1.9
136.06192	1.6
146.58788	1.4
147.04448	2.5
153.01895	3.0
166.06215	3.3
175.03918	2.1
181.08618	3.9
207.06584	4.2
208.14496	1.6
322.97498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01854	2.1
57.03421	2.5
61.02918	1.1
68.71780	0.7
69.03069	1.1
69.03419	14.7
71.04985	4.0
73.02905	1.0
79.05486	1.1
81.03407	16.0
91.05467	2.3
93.32751	0.6
97.02865	2.6
98.20707	1.5
99.04439	5.1
99.73815	0.6
106.06535	3.9
117.05547	0.9
118.06535	0.9
119.04936	2.1
133.07608	5.5
135.09160	1.3
137.02318	1.4
143.06024	0.7
144.45612	0.7
145.07611	1.9
146.08363	2.9
147.04410	1.7
147.09100	3.3
148.04768	0.7
161.07088	47.4
162.07440	0.7
163.08585	3.9
173.07068	9.6
174.07828	0.9
175.03923	2.8
175.08664	2.6
176.04237	0.9
176.05702	0.6
187.08655	0.9
189.06561	20.4
191.06389	1.4
191.08130	25.6
199.08511	1.0
201.10265	1.2
203.08165	3.4
207.07671	43.9
208.06853	2.4
213.10126	0.9
217.09729	0.9
217.13098	0.8
233.09116	0.8
241.09677	1.9
254.05783	0.7
259.10803	2.0
269.09216	0.8
277.11868	4.7
287.10287	2.4
295.12808	8.4
305.11270	13.9
323.12332	100.0
324.12711	3.2
341.13251	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.1
69.07047	6.3
69.31431	4.0
69.51441	40.2
70.71233	5.0
77.00906	28.5
79.05469	7.6
81.07040	7.1
91.05439	8.7
93.07023	11.5
95.01929	23.6
95.08612	6.9
100.11218	4.8
104.01637	5.2
105.07009	9.2
105.52406	5.2
107.08519	6.9
119.08599	8.3
131.01944	6.1
145.10098	7.8
147.11632	4.4
149.02930	6.7
206.90999	4.9
215.11284	8.1
297.17038	7.1
299.18564	29.0
315.17990	37.2
317.19589	89.6
317.23044	9.5
335.20618	100.0
338.23376	6.0
340.19824	16.5
358.22028	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	340.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.4
58.99863	3.7
61.67393	1.4
62.96584	1.3
62.98269	1.8
67.05501	4.1
69.07047	3.4
69.28531	14.7
69.28963	3.1
69.85123	1.2
75.05378	1.2
77.00906	27.2
79.05486	5.8
81.07055	5.9
83.08605	2.8
91.05482	10.9
93.07050	10.1
95.01938	24.5
95.02483	2.4
95.08604	5.3
100.02515	2.9
105.06414	2.2
105.07011	9.4
106.74493	1.4
107.04993	1.3
107.08583	3.6
110.05967	1.5
110.19622	1.4
117.06998	4.0
119.08540	8.8
124.62019	1.4
128.66591	1.4
131.01901	13.1
131.08481	2.7
133.10132	3.1
145.10123	6.7
147.11653	2.7
149.02948	11.0
157.10194	1.5
171.05096	1.8
187.08174	3.5
201.09695	1.6
205.09186	1.9
215.11389	7.8
219.10664	1.9
219.12616	1.6
227.11249	2.1
229.12766	2.9
233.12373	4.6
243.14352	2.7
247.14024	1.8
261.13431	2.6
275.15045	1.5
285.76471	1.7
297.16992	4.1
299.15161	2.3
299.18539	34.9
299.21817	2.7
315.18024	27.8
317.19592	100.0
318.19788	2.7
333.19101	4.2
335.20651	90.4
336.20892	3.2
338.19687	3.9
340.19971	15.9
340.27740	2.2
341.21283	2.4
351.19913	1.9
353.21909	3.5
358.22244	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	340.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45562	0.7
65.03931	1.2
66.25273	0.7
71.10998	1.7
77.03905	1.0
84.42883	0.7
85.02880	0.9
91.05476	27.8
97.02868	1.0
101.69991	0.7
102.78260	0.8
107.04924	0.7
119.04932	37.8
121.06525	0.9
132.02089	2.1
133.02812	1.0
135.04381	1.6
136.05234	0.9
136.06161	1.8
147.04404	34.0
149.02357	2.0
157.03925	3.1
160.07535	1.0
163.03914	0.8
164.04636	1.2
166.07219	1.8
175.03900	55.9
176.04202	1.7
178.08620	1.0
179.03426	5.0
179.06963	2.5
203.73650	0.7
207.06509	100.0
208.06841	2.5
216.04625	0.7
291.31555	0.8
295.21524	0.7
302.65903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42097	4.4
78.42104	1.0
84.08020	1.0
91.05463	27.6
91.06005	2.1
92.05814	1.6
103.05386	1.2
119.04929	37.0
119.05777	2.3
120.05238	1.3
122.29660	1.2
133.68770	1.1
136.05180	1.5
144.92625	1.2
145.02824	1.6
147.04384	32.4
149.02396	1.5
157.03983	3.1
175.03882	49.7
179.07018	3.3
207.06497	100.0
208.06882	3.3
334.44788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.7
70.56079	1.5
70.56429	4.0
81.24918	1.2
89.03920	1.5
91.05474	32.7
101.73027	1.3
105.03374	1.4
112.68488	1.4
119.04926	39.4
132.02066	1.9
147.04398	36.3
151.48190	1.3
157.03911	3.1
175.03889	59.9
176.04236	2.2
179.07028	2.8
181.96277	1.1
186.15643	1.3
207.06502	100.0
208.06892	4.0
241.38397	1.4
353.42368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.1
67.48999	3.0
70.06583	4.1
70.19030	16.8
71.01332	16.1
85.02901	3.9
88.03977	36.2
89.02370	5.1
91.05453	35.4
93.07029	12.2
95.04939	9.1
95.15097	3.7
103.05431	22.9
110.07146	5.5
114.01833	4.8
119.04913	26.0
120.08091	17.3
121.06468	21.1
123.04385	6.7
128.85471	3.8
132.02919	9.8
136.05066	4.9
140.27562	3.9
147.04353	27.1
149.05986	32.6
151.03918	24.6
153.01797	17.6
159.03090	3.5
163.03645	3.5
166.06242	95.4
167.06532	4.0
167.53735	3.5
175.03900	32.9
178.08626	4.3
179.05827	16.8
181.08575	100.0
192.06525	6.7
206.08220	4.6
207.06500	68.4
287.27917	3.4
298.09146	40.6
301.24716	3.8
340.10596	8.0
356.80231	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	339.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05263	1.8
55.05507	27.9
56.96553	7.4
57.07067	11.0
60.21474	1.8
67.05162	2.9
67.05495	36.1
68.26649	1.5
69.03400	1.8
69.07059	55.2
70.72584	3.0
70.72921	2.5
70.94154	1.6
71.04967	1.4
71.08614	7.9
76.49808	1.7
77.58669	1.5
78.01042	1.5
79.05479	12.8
81.07047	100.0
83.04974	3.1
83.08605	34.4
85.02878	2.8
85.06538	18.6
85.10155	2.0
91.05457	7.0
93.07037	17.8
95.04956	3.5
95.08595	84.3
97.06504	7.7
97.10165	26.4
98.97569	3.1
99.08063	4.9
101.06020	1.9
105.07019	10.1
107.08575	17.8
109.03561	1.8
109.06504	6.4
109.09453	3.1
109.10149	49.2
111.08082	4.7
111.11706	20.4
115.07541	3.4
116.98614	6.3
119.08570	12.1
121.06451	1.9
121.10124	18.4
123.08041	5.9
123.11688	31.6
125.09594	2.1
125.13218	6.2
127.07504	4.5
129.09149	1.9
131.08508	2.1
133.10081	10.8
134.99622	5.8
135.11705	13.3
137.09584	4.4
137.13222	21.2
139.07597	2.2
139.11182	2.3
141.09146	2.0
145.10103	3.8
147.11641	9.0
149.09631	3.6
149.13191	12.0
151.11188	4.2
151.14824	8.4
153.09091	2.3
153.12758	3.4
155.10681	3.2
159.11655	3.8
161.02985	2.5
161.13278	9.4
163.11105	3.0
163.14769	2.5
165.12727	6.5
165.16383	3.0
169.12245	4.1
173.13203	2.8
175.14775	3.5
177.05507	2.2
177.12651	3.3
177.16374	3.0
179.14311	3.5
179.17940	4.3
181.12218	4.6
183.13768	2.9
187.14746	2.4
189.16321	3.7
193.15886	4.0
195.13783	5.9
203.18074	2.3
207.17555	2.0
219.41600	1.7
221.18895	2.6
229.19630	2.1
232.96597	1.8
233.18927	1.8
259.13162	1.6
263.12772	4.7
265.21600	2.7
274.97391	8.0
285.25781	3.8
292.98495	6.1
303.26834	9.5
304.54599	1.8
315.04245	2.2
321.27896	22.7
339.18356	2.2
339.28735	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	339.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05503	34.8
56.96558	3.0
57.06867	2.1
57.07072	24.8
67.05499	31.1
68.05011	2.6
69.07060	75.3
69.37434	10.9
69.37858	14.5
71.08611	10.8
79.05482	10.6
81.07046	100.0
81.51810	2.3
83.04960	2.7
83.08132	5.3
83.08607	59.7
85.02935	2.3
85.06532	12.7
85.10172	2.8
86.84576	2.7
91.05452	9.4
93.07020	25.7
95.08593	91.5
95.99676	2.1
97.06506	7.1
97.10164	32.0
98.21447	4.1
98.97597	6.2
103.60114	2.6
105.07006	15.1
107.08584	29.1
107.92213	2.8
109.06486	6.0
109.10146	47.0
111.08064	5.3
111.11703	23.6
115.07518	6.0
116.36118	2.3
116.98598	7.1
117.06946	2.7
119.08567	13.2
121.10125	23.2
123.08062	6.4
123.11685	29.7
125.13261	8.8
127.07507	6.1
131.08543	6.7
133.10127	11.7
134.99606	5.6
135.08076	4.4
135.11676	23.4
137.09581	6.9
137.13231	17.9
141.09084	4.7
145.10094	8.3
147.11676	13.4
149.09644	4.5
149.13222	10.2
151.11166	7.6
151.14813	8.7
153.09099	3.0
153.12656	4.9
155.10664	4.2
159.11710	5.7
161.13255	6.2
163.11201	3.8
165.12711	12.2
165.16432	3.9
167.10637	6.7
169.12212	4.5
173.13260	5.8
177.12766	6.8
177.16339	2.5
179.14169	4.0
179.17899	3.5
181.12209	7.4
183.13780	6.2
187.14847	5.0
187.94447	2.5
191.14334	6.7
191.17943	2.7
195.13799	18.5
203.17754	2.9
204.41513	2.8
205.15840	4.8
207.21063	3.2
209.15282	4.2
215.17903	4.1
222.90503	2.6
227.59801	2.6
229.19434	3.7
247.20485	3.3
251.20033	3.3
261.25873	5.4
265.21582	4.2
269.93237	2.5
273.07724	12.6
274.97369	9.4
285.07889	2.8
285.25845	9.3
292.98239	5.6
299.09320	9.0
303.26859	8.1
321.24414	4.1
321.27875	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.82021	2.5
52.29621	2.6
55.05505	17.7
57.03427	5.5
57.07056	5.3
65.03924	3.7
67.05499	81.8
69.07054	13.5
70.93310	8.6
79.05489	45.8
81.06573	6.1
81.07050	100.0
82.07395	3.3
83.04948	4.7
83.08614	7.7
91.05460	26.0
93.07040	57.2
95.08606	86.5
96.30698	2.5
97.06500	4.8
97.10197	3.7
98.97585	6.6
105.07035	20.9
107.08587	50.2
109.06532	3.9
109.10147	54.3
110.29154	2.3
115.92418	3.1
116.98618	7.5
117.07006	6.5
119.08573	20.1
121.10143	37.5
123.08025	3.0
123.11693	18.9
131.08551	18.1
133.10121	18.6
134.99631	9.7
135.11694	28.9
137.09610	3.7
137.13220	5.9
145.10100	21.1
147.11653	14.5
149.13278	19.9
159.11687	16.3
161.13246	6.6
163.14825	5.8
173.13263	11.2
187.14809	4.1
219.21071	5.1
229.19498	30.0
247.20554	78.6
248.20927	4.6
265.21652	4.8
274.97476	11.9
283.16867	4.6
292.98499	6.2
297.98889	3.5
321.24124	11.3
339.19199	9.2
339.25266	16.5
339.30206	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	339.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21812	0.9
52.62086	0.8
53.03928	1.7
53.12962	0.8
54.90398	0.8
55.01866	1.2
55.05505	34.1
56.96531	1.3
57.03431	1.1
57.06811	1.3
57.07069	14.0
59.04991	0.8
61.02905	1.2
67.05500	36.8
69.03409	2.0
69.07063	58.3
69.98636	4.9
71.04993	1.6
71.08623	6.4
73.06572	1.1
73.60397	1.0
79.05481	15.1
81.03400	1.0
81.07050	100.0
83.04955	2.5
83.08611	38.9
85.02903	1.5
85.06536	17.4
85.10149	2.2
91.05464	6.7
93.07033	21.0
95.04965	2.4
95.08600	91.4
97.02887	1.4
97.06524	6.0
97.10166	24.9
98.97573	2.6
99.04410	1.6
99.08091	2.7
101.05987	2.1
105.07032	12.9
105.07683	1.6
107.08588	26.5
109.06497	4.9
109.10144	52.2
110.10455	1.0
111.08062	5.2
111.11713	17.2
113.09634	1.2
115.07539	4.2
116.98623	2.9
119.08577	12.2
120.54007	0.8
121.10137	18.6
123.08079	4.9
123.11698	32.8
125.09608	2.0
125.13265	6.4
127.07560	4.9
127.11157	1.0
129.09073	2.3
131.08578	2.3
133.10107	10.3
134.99649	2.8
135.08017	2.5
135.11690	15.4
137.09598	7.0
137.13243	17.7
139.07564	1.0
139.11171	2.0
139.14813	1.1
141.09128	3.4
145.02879	1.1
145.10132	3.5
145.68712	0.9
147.11668	11.8
149.09605	2.4
149.13234	9.9
151.11171	6.9
151.14803	7.8
153.09093	3.2
153.12708	1.7
155.10674	3.2
157.12233	1.1
159.11688	4.5
161.13268	7.7
163.11162	2.9
163.14859	5.2
165.12752	6.7
165.16345	3.3
167.10663	1.9
169.12291	2.0
171.13777	1.1
173.13248	3.1
175.14748	4.9
177.12759	3.5
177.16357	1.2
179.14316	6.5
179.17850	2.0
181.12225	2.2
183.13770	1.9
187.14835	2.8
189.16348	3.6
191.14378	2.3
193.15898	2.9
193.19540	1.1
195.13805	7.6
201.16486	1.0
203.17908	3.2
205.15862	1.4
205.19580	1.7
207.17340	1.0
207.21054	2.6
209.15343	2.3
215.18027	1.4
221.18985	3.0
229.19580	2.0
233.18987	1.0
235.13170	1.0
237.18460	2.0
251.20030	2.6
261.25702	3.1
263.12808	1.5
265.21588	2.5
274.97470	3.8
283.28549	0.9
285.25748	6.0
292.98392	2.1
303.26816	10.8
321.27853	20.6
322.27979	1.4
330.13977	1.4
339.19370	2.1
339.23108	1.3
339.29089	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	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05511	27.8
56.96553	14.4
57.03428	7.0
57.07061	10.7
59.31363	4.5
61.02925	6.5
67.05497	63.5
69.03401	9.2
69.07061	47.2
70.48661	10.0
70.49010	15.7
71.04985	13.4
71.08568	5.5
72.93759	8.7
78.39748	4.7
79.05480	48.3
81.03400	8.8
81.07049	100.0
83.04971	11.2
83.08610	22.7
85.06521	8.7
90.94827	5.1
91.05470	23.4
93.07029	81.6
95.04941	12.6
95.08602	72.2
97.02848	7.4
97.06494	28.4
97.10172	7.3
98.97581	12.9
103.05434	7.1
105.07029	46.6
107.08588	55.5
109.02848	5.5
109.06502	10.5
109.10149	89.5
111.08083	16.8
115.07548	6.6
116.98608	11.8
119.08574	30.3
121.10133	53.2
123.08046	16.1
123.11697	38.9
125.09627	9.8
131.08569	12.5
133.06471	14.0
133.10098	27.9
133.32088	5.1
134.07259	5.9
134.99608	11.9
135.08051	35.4
135.11703	37.8
137.06042	4.8
137.09604	50.9
139.11137	14.4
143.08548	8.7
145.10129	6.6
147.11667	17.9
149.09618	28.3
149.13240	12.6
149.70456	5.4
151.07527	8.5
151.11169	55.3
153.01822	11.3
153.12698	5.5
155.20518	5.2
157.10164	8.9
159.11687	16.7
161.13200	8.4
163.11154	11.1
165.03732	12.6
165.12875	5.9
167.08621	5.3
167.10739	13.7
173.13301	10.0
175.14832	8.5
177.05472	15.9
177.12688	9.9
178.12213	25.1
187.11133	5.8
187.13275	7.8
191.14331	8.4
211.14815	8.7
222.18845	5.3
229.15938	6.5
236.08195	5.6
269.12366	13.8
273.07742	8.8
274.97470	11.9
277.16144	16.7
285.22211	14.2
292.98453	10.7
295.17377	27.7
298.11090	24.8
303.23239	45.3
316.11929	34.5
321.24191	24.1
339.13251	7.8
339.23401	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.96546	2.4
59.40142	1.3
61.98779	1.3
65.03939	2.0
69.03410	2.1
70.17604	5.1
73.40499	1.2
80.99635	1.2
91.05470	16.4
92.45516	1.5
95.04977	1.4
98.20910	2.0
98.21479	1.4
104.86765	1.3
107.18884	1.2
115.34291	1.4
116.98593	1.3
119.04104	2.0
119.04926	31.0
122.06051	1.6
133.02887	1.6
136.07570	2.0
145.02802	2.9
147.04395	100.0
148.04773	3.0
153.01813	3.3
164.07021	2.4
165.05524	1.4
175.03885	10.4
176.04625	1.9
177.05411	7.4
205.06081	1.6
207.06497	21.6
208.07335	3.9
237.02756	1.4
339.10873	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	338.3412
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
50.08971	2.2
55.01851	4.5
55.05505	69.1
57.06788	3.0
57.07071	60.8
58.06612	2.7
67.05501	30.6
69.07063	100.0
71.08630	33.5
71.33028	4.7
72.04509	6.6
72.08140	7.0
79.05485	15.2
81.07053	39.0
83.04974	4.4
83.08134	4.1
83.08614	68.4
84.08131	3.0
85.10192	11.3
86.06057	8.7
86.09715	3.9
93.07039	24.1
95.08598	38.7
97.06522	21.5
97.10159	61.5
100.07619	17.3
107.08589	17.4
109.10149	19.8
111.08070	16.9
111.11714	23.3
113.09625	2.2
114.09161	14.3
121.10121	20.0
123.11700	7.3
125.09620	8.0
125.13238	8.7
128.10689	8.7
135.11678	19.1
137.13268	4.2
139.11177	5.9
142.12274	4.6
149.13268	15.0
153.10178	2.4
153.12730	3.1
156.13849	5.1
156.93480	2.6
163.14801	7.0
170.15399	3.6
177.16383	6.0
184.16905	4.9
191.17952	5.1
205.19525	3.3
212.20099	3.4
226.21626	5.8
237.22179	2.9
237.35973	2.4
268.26300	4.4
282.27747	2.9
303.30463	25.5
321.31528	35.2
338.34137	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88395	0.9
55.05512	11.2
57.06812	1.2
57.07072	12.8
67.05497	2.0
69.07060	4.7
70.08929	2.1
70.09332	3.0
71.04981	1.3
71.08632	5.7
72.08147	1.3
74.06083	6.2
76.08746	1.0
81.07058	1.2
83.08630	7.0
85.10167	1.3
88.07627	20.8
95.08617	1.7
97.10146	2.3
100.07638	1.8
102.09183	11.4
115.43693	1.0
116.10737	3.0
134.09647	35.9
135.11722	1.1
137.21599	0.9
144.13814	1.5
158.15335	1.0
231.75952	0.9
256.26337	100.0
257.26651	3.0
266.18762	2.2
267.16885	0.9
267.19580	4.7
281.15698	1.2
297.28912	2.1
338.28397	47.4
338.34131	91.6
339.28650	4.8
339.34344	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	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03928	2.6
55.01851	3.5
55.05265	1.5
55.05507	22.9
57.03413	2.2
57.07066	14.3
59.04984	2.9
64.51289	1.1
65.03925	1.4
67.05162	1.9
67.05495	23.9
69.03402	4.9
69.07059	50.0
69.31211	13.3
71.04978	6.1
71.08613	4.9
79.05477	17.0
81.07047	100.0
82.46438	1.3
83.04967	7.7
83.08607	30.6
85.06533	13.8
91.05466	10.2
92.64980	1.2
93.07028	41.8
93.48579	1.3
95.04956	6.5
95.08596	70.9
97.06499	10.0
97.10178	8.2
99.04435	12.3
99.08073	1.4
101.06001	3.0
102.81503	1.2
105.07024	25.4
107.07858	2.5
107.08581	45.5
109.06508	16.8
109.10144	54.0
110.10472	1.2
111.08092	8.9
111.11679	4.8
115.07568	2.1
117.05466	1.6
117.07047	1.6
119.08570	16.0
121.06496	1.9
121.10127	29.2
123.08064	8.1
123.11684	32.4
125.09628	2.4
125.13236	2.2
127.07533	15.2
127.11180	1.2
129.06967	2.0
131.08540	4.8
133.09099	1.7
133.10110	29.9
135.08020	2.7
135.11678	27.3
137.06061	1.3
137.09598	3.5
137.13248	18.6
139.07483	2.3
139.11134	1.8
141.09088	1.9
144.09354	1.5
145.10139	6.4
147.10512	1.7
147.11662	24.3
149.09602	4.6
149.13226	23.2
151.11159	63.1
151.14796	3.5
153.09135	2.0
153.12726	3.8
157.10042	2.9
159.11685	5.8
161.09607	2.2
161.13206	6.2
163.11148	7.4
163.14780	4.8
165.12708	8.3
165.16368	3.0
167.10620	1.9
167.14308	5.4
169.12241	2.7
171.11646	2.7
173.13271	2.7
175.11113	5.0
175.14809	2.3
177.12703	3.8
177.16367	5.8
179.10680	12.8
179.17953	2.4
181.12181	7.2
183.17513	1.3
185.13289	1.9
187.14688	1.9
189.12753	4.4
191.14313	2.3
191.17897	3.1
193.12181	13.5
195.13805	4.9
203.17943	5.4
203.71562	1.3
205.19493	5.5
207.13806	12.7
209.15353	2.7
209.19028	1.9
213.16292	1.4
221.15485	1.6
221.19029	1.8
223.16998	1.4
223.20760	1.7
227.17865	2.6
229.14450	2.4
233.12071	1.2
235.16895	1.9
243.21263	1.4
249.18480	2.3
249.25266	1.3
259.24255	4.6
263.20041	5.6
267.95538	1.3
273.25592	2.5
276.70999	1.3
283.24185	5.2
291.26740	3.2
301.25146	10.2
319.26273	49.7
320.26663	1.8
337.27319	44.7
358.25180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
52.31939	1.6
53.03944	2.5
55.05504	21.5
56.96558	3.0
57.03435	2.1
57.07065	8.8
57.52085	1.5
59.04986	2.1
65.03934	1.4
67.05495	30.4
69.03413	3.7
69.07063	33.0
70.44914	1.7
71.04988	18.4
71.08629	3.3
71.42802	3.3
79.05482	18.4
80.22926	1.9
81.07050	100.0
82.07384	2.4
83.04955	5.2
83.08614	20.9
85.06534	20.6
87.72431	1.6
91.05463	13.9
93.07036	40.5
94.07352	2.1
95.04980	3.0
95.08598	78.5
97.06535	7.8
97.10160	4.8
98.97577	1.7
99.04446	3.4
99.08085	7.2
101.05993	2.1
104.59028	1.5
105.07033	26.1
107.08585	42.0
108.08907	1.5
109.06507	18.3
109.10149	52.2
109.65945	1.4
110.10500	1.9
111.08080	5.3
111.11731	3.8
113.09599	3.5
116.98619	2.7
117.07008	3.4
119.08582	24.1
121.06493	3.2
121.10125	31.9
123.08060	14.6
123.11693	38.3
125.09594	3.7
125.13244	2.6
126.91912	1.6
127.07532	11.6
127.11151	7.6
131.08615	9.2
133.10117	19.5
135.07993	3.4
135.11676	29.9
137.09599	6.3
137.13240	21.5
139.07407	1.8
139.11168	4.2
141.12721	4.0
143.08556	3.6
145.10141	10.1
147.11662	14.6
149.09628	5.2
149.13229	18.9
151.11157	18.4
151.14815	4.0
153.01810	3.6
153.12726	6.5
155.14276	2.1
157.10109	5.6
159.11674	17.9
161.13248	19.3
163.11195	3.0
163.14841	6.2
165.12787	5.4
165.16293	2.4
167.10637	2.8
169.15915	1.8
171.11655	4.6
173.13246	8.3
175.11163	2.0
175.14832	6.6
177.12756	5.0
177.16388	3.7
179.10750	2.6
179.14323	6.3
179.17746	2.0
181.12231	4.0
187.14850	3.6
189.12682	3.6
189.16408	4.4
191.14354	1.8
191.17932	4.0
193.12221	3.0
193.15877	2.6
195.13829	3.8
199.14859	4.4
201.16412	3.2
203.17932	4.7
205.06778	2.0
205.15889	1.9
205.19534	5.9
207.13765	2.3
211.20540	3.0
213.16368	3.8
215.17932	13.7
217.19530	1.8
219.17395	2.5
221.18919	2.6
227.18044	3.5
231.21140	2.8
233.18765	2.0
249.22095	3.9
251.20117	1.7
255.09096	2.0
265.10190	2.0
273.25803	3.2
283.21478	1.8
283.24231	9.8
291.26794	6.9
301.25250	21.2
319.22415	3.4
319.26242	68.6
320.26593	4.8
337.27390	21.7
338.27835	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	337.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01858	3.2
55.05257	1.6
55.05501	22.1
56.96540	1.7
57.03398	1.5
57.07066	15.4
58.07800	1.0
60.46329	1.2
67.05495	29.1
69.03407	5.5
69.07058	59.3
69.36604	4.1
69.37024	7.3
71.04981	6.0
71.08641	6.1
79.05058	1.4
79.05483	19.6
81.07045	99.7
82.07381	2.0
82.22123	1.1
83.04974	6.6
83.08140	2.5
83.08609	41.9
85.02850	1.4
85.06527	8.4
91.05462	12.1
93.07028	52.9
94.91109	1.2
95.04957	7.4
95.08592	63.7
97.06516	12.5
97.10155	9.9
98.21588	1.3
99.04442	18.8
99.08065	2.0
101.05988	2.2
105.07013	29.5
106.07324	1.1
107.08579	51.6
109.06512	20.7
109.10139	47.1
111.08071	12.6
111.11685	2.6
117.05470	2.9
117.06961	2.0
119.08561	16.3
121.06495	3.3
121.10123	23.5
123.08057	17.5
123.11684	25.5
125.09624	1.8
125.13239	2.0
127.07547	22.9
129.21001	1.1
131.08522	3.9
133.10121	39.6
135.08006	2.6
135.11682	30.7
137.05956	1.7
137.09567	3.4
137.13196	7.0
139.07469	1.8
139.45540	1.2
142.07700	1.2
143.08533	2.9
145.10080	6.4
147.08060	1.2
147.11661	17.8
149.09566	3.3
149.13249	20.0
151.11166	100.0
151.14760	3.1
153.09048	2.9
153.12688	3.4
157.10120	5.2
159.11668	4.4
161.07864	1.1
161.09592	1.8
161.13261	8.2
163.11176	7.6
163.14821	4.1
165.12727	5.2
165.16397	1.8
167.10605	2.7
167.14317	9.0
169.12177	3.9
171.11696	3.9
173.13235	2.9
175.11119	5.4
175.14775	3.6
177.12697	6.2
177.16338	4.5
179.10625	15.1
179.14320	2.2
179.17862	3.3
181.12221	9.0
183.17386	1.4
185.13202	1.7
187.14784	2.5
189.12715	6.7
189.16370	2.4
191.17900	3.7
193.12206	11.4
195.13783	3.9
199.14764	2.7
203.14268	1.1
203.17929	7.3
205.19551	5.8
207.13771	20.7
209.19020	6.7
213.16336	2.6
219.17406	1.6
219.21005	1.5
221.15309	2.2
221.18976	3.7
227.17909	3.2
231.17314	1.1
235.16902	1.9
241.73123	1.3
245.18980	2.8
249.18446	2.7
259.24216	4.9
263.20071	2.8
273.25760	4.3
283.24222	7.8
291.26724	4.1
301.25253	13.2
319.26276	56.4
320.26605	1.4
337.23489	7.1
337.27307	60.4
338.27658	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	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03929	2.3
55.01859	2.1
55.05262	1.4
55.05503	21.9
57.03410	1.9
57.07067	14.2
60.85134	1.1
67.05494	29.0
69.03408	4.5
69.07058	54.9
69.37215	9.4
71.04987	6.7
71.08631	6.2
77.91302	1.0
79.05047	1.9
79.05481	19.0
81.07045	92.5
83.04954	4.3
83.08137	2.3
83.08607	39.1
83.09106	1.9
85.02871	1.3
85.06524	7.1
85.10141	1.2
91.05465	12.1
93.07030	51.0
95.04955	9.8
95.08592	56.8
97.06514	11.4
97.10155	7.6
99.04442	18.3
99.08057	2.0
101.05983	1.3
105.07020	29.3
107.08577	49.9
109.05775	1.7
109.06503	24.9
109.10142	45.5
111.08065	12.7
111.11684	2.6
117.05477	2.9
117.06950	1.3
119.08563	14.4
121.06514	1.9
121.09314	1.7
121.10136	23.4
123.08068	13.5
123.11683	23.7
124.12001	1.5
125.09599	2.0
125.13238	1.1
127.07540	22.5
131.08542	4.9
133.10114	43.7
134.10442	1.3
135.08054	2.3
135.11673	26.9
137.09637	2.2
137.13229	7.2
143.08566	1.7
145.10112	6.6
147.08029	1.3
147.11684	16.4
149.13235	19.3
151.11163	100.0
151.14815	2.0
152.11555	1.8
153.09052	3.6
153.12727	3.4
157.10100	3.7
159.11639	5.2
161.09601	2.3
161.13228	6.5
162.11685	1.0
163.11131	5.7
163.14758	3.3
165.12712	4.4
165.16330	3.4
167.10654	4.3
167.14307	8.9
169.12204	3.3
171.11578	6.2
173.13272	1.2
175.11227	5.0
175.14810	2.5
177.12723	4.5
177.16353	4.4
179.10654	19.0
179.14206	2.2
179.17873	4.1
181.12227	7.9
183.17490	1.0
185.13228	3.1
185.15152	1.8
187.14793	2.5
189.12720	7.9
189.16388	3.0
191.17908	3.6
193.12195	10.3
195.13776	2.7
199.14871	2.2
201.16379	2.0
203.17918	3.8
205.19505	3.7
207.13777	19.7
209.15443	1.2
209.18938	6.2
213.16438	2.3
217.15849	1.3
217.19492	1.3
221.18958	4.2
225.14720	2.1
227.17879	2.7
235.16907	1.4
241.19608	1.1
243.21109	1.3
245.19016	1.7
249.18463	2.1
259.24219	3.7
263.19995	2.7
268.82129	1.1
273.25693	5.0
283.24075	8.7
291.26730	3.9
301.25244	11.0
302.25452	1.1
319.26282	56.2
320.26813	1.6
330.28122	1.2
337.23465	5.3
337.27301	61.6
338.27570	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	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03932	2.7
55.05262	2.3
55.05508	35.4
57.03432	21.8
57.07077	8.0
65.03926	2.5
67.05499	81.3
68.05818	2.1
69.06717	2.6
69.07064	42.9
70.78217	3.2
70.78552	3.7
71.04964	2.0
71.08629	1.9
79.05489	21.8
81.07050	85.6
82.07397	2.9
83.04997	2.5
83.08613	21.8
91.05459	12.8
93.07048	22.3
95.08598	70.4
96.08981	1.7
97.06541	4.2
97.10168	10.3
99.08069	3.2
105.07026	10.9
107.08586	13.6
109.10150	29.6
111.11691	2.6
119.08563	8.9
121.10133	10.2
123.11706	11.5
124.23303	1.6
133.10126	6.9
135.11678	4.7
136.76131	1.6
137.09613	2.1
137.13206	3.9
141.24010	1.6
147.11649	5.7
149.13231	5.7
151.14772	2.2
161.13268	4.8
163.14818	2.6
175.14737	4.3
245.20253	1.9
245.22607	7.1
263.23746	7.0
337.27328	100.0
338.27496	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	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.73558	0.3
51.02379	0.3
53.03937	2.1
53.99873	0.3
55.01863	1.6
55.05503	42.6
57.03430	27.8
57.03648	0.3
57.07068	5.6
59.04997	0.8
63.00862	0.3
65.03940	3.3
67.05495	95.0
68.05836	0.8
69.03415	0.7
69.07058	56.7
70.07388	0.6
70.77409	0.6
70.77752	0.8
71.04996	2.5
71.08624	3.1
73.06559	0.4
79.04990	0.4
79.05481	26.0
81.07044	90.2
82.07390	1.3
83.04971	3.1
83.08611	26.4
84.08912	0.3
85.06513	2.5
85.10170	0.8
91.05466	15.7
93.07032	23.3
95.04975	2.6
95.08593	65.7
96.08929	0.8
97.06513	5.2
97.10152	13.4
99.08072	2.2
101.06017	0.4
105.07016	11.3
107.08578	12.8
109.06512	1.5
109.10139	24.0
110.10490	0.5
111.08067	3.2
111.11701	2.8
113.09657	0.7
115.07590	0.4
117.07024	0.4
119.08569	9.5
121.10129	10.1
121.10999	0.6
123.08049	1.3
123.11694	10.8
125.09586	1.8
127.11158	0.4
131.08577	0.7
133.10117	8.5
134.76123	0.4
135.11664	5.9
137.09613	1.3
137.13206	4.0
139.11168	1.2
145.10133	0.4
147.11670	6.0
147.12788	0.6
149.13245	3.7
151.11174	1.2
151.14787	1.8
153.12712	1.3
161.13235	5.0
163.14772	2.7
165.12738	0.8
165.16397	0.5
175.14796	2.6
177.16399	0.5
179.14330	0.9
179.17918	0.4
183.79222	0.3
189.16360	1.3
193.15868	0.4
196.55878	0.3
207.17262	0.4
245.22595	1.8
263.23679	4.1
337.27316	100.0
338.27573	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	337.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
56.52379	0.6
60.05647	4.2
65.03916	1.0
69.65981	4.4
70.06611	0.9
72.08151	14.6
75.97050	0.6
77.03891	0.9
84.08143	1.5
89.03895	0.9
89.10807	0.7
91.05473	18.5
96.19883	0.6
97.07631	2.8
98.06041	1.2
98.21546	1.3
103.05453	0.9
105.03381	1.0
107.04955	1.1
110.07146	1.5
111.64401	0.5
112.11190	0.8
114.10284	17.3
115.08707	2.9
117.03371	1.2
119.04934	35.7
128.98907	0.7
131.12910	7.6
132.02069	1.0
133.02808	1.7
135.04443	0.9
145.02831	2.7
147.04401	34.6
153.01788	0.7
157.03970	2.6
157.10820	2.0
161.02344	1.8
163.03940	1.5
164.04674	1.0
175.03896	67.3
176.04289	1.3
177.05435	2.1
179.07030	3.2
189.01804	2.8
190.08527	0.7
191.03394	1.6
192.04062	0.7
193.01309	0.8
201.44347	0.6
207.06511	100.0
208.06915	0.8
212.58884	0.6
217.01332	9.4
219.02856	1.7
221.04405	1.4
221.13924	0.6
234.11215	0.8
235.02293	1.9
245.00752	1.3
247.02353	1.3
249.03940	5.6
275.01764	0.9
277.03467	1.4
277.15521	1.6
278.13901	2.5
295.16339	1.0
305.02869	1.3
320.15961	8.8
337.01849	4.4
337.18665	79.6
338.19366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1865
Annotation	Arphamenin B
Peak:m/z	Relative Intensity
60.05627	2.7
65.03931	0.8
65.75034	0.6
66.15159	0.6
68.94279	0.7
69.61071	4.4
70.06562	0.7
72.08147	7.9
77.03925	0.7
91.05475	16.1
97.07636	1.4
98.06028	0.8
103.05450	0.9
114.10277	16.0
114.65441	0.6
115.08678	5.0
119.04934	34.7
131.12900	5.7
147.04391	34.7
148.04697	0.9
157.03972	2.7
157.10809	2.4
175.03889	62.1
176.04256	1.2
179.07037	3.2
207.06508	96.0
208.06888	2.0
213.73076	0.8
277.15479	2.1
278.13885	3.4
303.13516	1.1
320.16064	10.0
337.18665	100.0
338.18988	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01856	4.2
55.05256	2.0
55.05502	23.1
56.96546	1.8
57.07066	12.3
59.04971	1.2
65.03938	1.4
67.05165	1.8
67.05495	25.6
67.06043	1.2
68.63358	1.2
69.03410	4.5
69.07058	58.5
69.36778	10.3
69.37189	1.5
71.04979	7.1
71.08609	4.3
79.05484	18.3
81.07045	85.2
83.04961	5.6
83.08134	2.1
83.08607	37.4
85.06532	7.2
85.10123	1.5
91.05460	13.2
93.07027	48.0
93.24792	1.1
95.04957	7.1
95.08592	58.5
97.06515	10.4
97.10146	8.0
99.04440	15.2
99.08074	2.6
101.05253	1.1
101.05968	1.6
105.07013	25.4
107.04913	1.1
107.08577	49.9
108.08897	1.2
109.06506	23.9
109.10137	49.4
111.08067	10.8
111.11686	2.1
117.05503	3.9
117.06967	2.3
117.40504	1.2
118.09811	1.1
119.08567	14.6
121.06451	2.4
121.10113	21.2
123.08070	14.3
123.11679	23.9
125.05950	1.5
125.09631	3.2
125.13192	1.2
127.07523	19.2
131.08527	4.4
133.10109	39.2
135.08038	3.9
135.11671	29.2
137.09573	4.4
137.13226	8.2
139.11128	1.2
143.08525	2.0
145.10088	6.1
147.07983	2.1
147.11670	19.1
149.09578	2.1
149.13229	20.4
151.11160	100.0
151.14784	3.1
152.11478	1.8
153.09058	1.8
153.12709	3.8
156.09366	1.2
157.10135	5.8
159.11676	5.0
161.09599	3.6
161.13243	8.6
163.11134	6.4
163.14760	4.5
165.12729	3.8
165.16373	3.6
166.88612	1.2
167.10648	4.1
167.14261	7.2
169.12213	3.4
171.11658	4.0
173.13263	3.1
175.11185	5.1
175.14818	2.5
177.12726	4.4
177.16321	2.9
179.10641	16.5
179.14304	1.1
179.17896	3.2
181.12195	7.0
183.17398	1.6
183.75252	1.1
185.13245	3.5
185.15294	2.5
187.14867	2.5
189.12727	8.0
189.16281	2.3
191.14296	1.7
191.17934	3.3
193.12259	10.0
194.83832	1.2
195.13786	4.3
199.14874	2.7
201.16298	2.3
203.17967	8.9
205.19507	2.6
207.13802	21.2
209.18961	6.2
213.16370	2.4
215.12752	2.3
217.15971	2.2
217.19472	1.9
221.15295	1.9
221.18993	2.2
225.14786	1.4
227.17792	2.5
231.17511	1.3
235.11546	1.4
235.16936	2.7
241.19525	1.7
245.18892	1.9
249.18483	2.9
252.12817	1.2
259.24203	4.4
263.19974	3.3
273.25751	1.7
283.24142	10.1
291.26828	4.9
301.04257	1.3
301.25186	12.2
319.26245	56.8
320.26675	1.9
337.27307	67.9
338.27628	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	337.1099
Annotation	Firocoxib
Peak:m/z	Relative Intensity
59.29935	0.3
67.05086	0.3
68.48923	0.3
70.55545	0.9
74.80212	0.3
80.07325	0.3
95.83485	0.3
99.30070	0.3
106.45045	0.3
119.54230	0.3
129.78944	0.3
131.01889	0.4
137.99760	0.3
145.03438	0.4
170.34540	0.3
175.05775	1.0
217.01962	0.3
229.01875	0.3
287.05338	0.3
337.11014	100.0
338.11526	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.2
67.05495	0.9
68.99779	0.6
70.69146	0.6
70.69492	1.0
72.31408	0.4
79.05477	2.1
84.04492	37.9
85.02855	0.4
87.00777	0.5
91.05466	1.1
95.04955	2.0
103.05445	1.7
105.07014	100.0
106.07334	1.4
107.04945	2.1
119.04898	1.7
121.02843	2.5
122.09653	22.3
123.47377	0.4
124.03896	0.7
130.04982	19.6
135.04384	1.6
142.04968	0.6
145.02878	2.5
146.09584	0.6
147.04333	0.6
152.03415	5.2
153.01865	0.5
163.03882	8.6
163.07480	0.5
164.04138	0.5
167.07040	0.5
170.04494	1.4
181.04922	2.3
187.12297	1.7
188.10677	67.8
189.11018	2.3
191.03378	3.9
198.03989	4.6
205.13318	7.1
231.11127	0.5
233.12830	4.7
234.11212	2.1
249.03891	0.6
251.13910	1.4
253.08549	0.7
267.06448	0.9
273.12106	0.7
277.11816	0.6
279.06577	2.0
281.08066	12.4
282.08420	0.7
291.13333	7.5
294.05258	0.6
301.11829	1.5
308.06674	0.7
309.07516	31.1
310.07867	1.9
319.04474	1.2
319.12796	3.6
323.64771	0.5
337.07080	34.7
337.13156	4.2
338.07385	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0551
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
50.80910	0.7
54.05484	0.7
56.54274	0.7
56.83140	0.6
65.49289	0.8
69.37629	2.9
69.38055	4.2
77.04002	2.3
77.21281	0.7
78.66190	0.7
81.07101	0.8
90.14899	0.7
91.05515	1.8
95.05021	1.3
105.03384	7.7
105.07111	1.2
107.04996	1.3
112.11269	0.8
116.83016	0.7
119.04993	2.0
121.02909	1.1
133.02837	10.8
135.04463	1.5
145.02888	2.1
147.04462	2.7
150.03180	0.8
150.22067	0.7
161.02342	22.2
162.03149	0.8
163.03893	6.7
173.17973	0.7
175.03943	1.9
178.02599	1.2
179.03424	1.1
181.04955	0.9
189.01816	59.4
190.02553	1.5
191.03368	6.4
193.04898	1.4
205.04924	1.6
206.02107	1.6
207.02910	5.3
207.06575	1.1
217.01311	100.0
218.01961	2.6
219.02917	1.8
221.04401	8.7
231.02812	1.3
234.01549	1.5
235.02356	3.8
245.00801	85.0
246.01280	1.2
247.02388	1.3
249.03938	36.0
263.01816	3.1
273.00272	32.2
273.03214	1.7
277.03412	13.0
281.08041	5.7
305.02884	55.7
309.07529	13.1
330.47333	0.7
337.05435	53.2
337.18411	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11196	0.9
53.03918	1.2
55.05503	11.2
57.03432	7.0
57.07070	31.0
67.05495	31.9
69.07069	10.2
70.65707	1.9
70.66052	1.0
71.04942	1.5
71.08627	29.2
73.06511	2.9
77.03900	1.0
79.05486	13.7
81.06583	1.9
81.07043	33.1
82.07336	1.3
83.08571	4.0
85.10172	24.0
87.04459	1.3
89.06020	100.0
91.05469	7.3
93.07027	19.7
95.04942	1.8
95.08591	26.2
97.10137	2.1
99.11692	1.7
105.07011	6.6
107.07057	7.3
107.08576	9.4
109.06467	1.3
109.10152	9.1
117.06960	1.5
117.56668	0.9
119.08521	4.0
121.10123	8.0
123.11651	4.0
130.08614	3.2
131.08524	3.5
133.08585	30.3
133.10094	4.2
135.11656	5.8
137.13174	1.3
141.16335	2.3
145.10039	2.7
147.11594	2.6
149.13168	2.3
151.09575	3.7
159.11581	2.3
161.13266	1.9
171.97128	0.9
173.13188	1.2
175.14577	0.9
177.11214	5.4
177.43617	1.1
185.19014	1.6
192.87894	1.0
195.06810	0.9
195.12263	12.5
254.35341	1.0
261.21988	2.8
335.25604	33.8
336.25647	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	336.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82936	1.6
55.01852	2.4
55.05508	2.7
56.96555	3.8
57.03423	3.4
57.07076	3.3
58.06585	3.9
60.04530	2.3
60.05643	2.3
61.02928	2.0
67.05491	4.2
69.03410	9.8
69.07056	7.2
69.70104	10.4
70.06583	6.5
71.04996	3.1
72.08149	10.7
73.02885	3.3
74.06049	4.5
79.03591	1.6
81.03402	7.0
83.08611	2.5
84.04504	5.2
84.08154	7.8
85.02907	21.3
85.06532	15.3
86.06062	3.0
87.04489	2.4
87.08086	2.3
91.05460	3.7
93.07020	2.4
95.04960	6.8
96.04489	3.1
97.02874	9.7
98.06039	6.7
98.06739	1.6
98.09712	1.7
98.20702	1.9
98.97626	2.3
99.04475	2.8
102.05496	2.0
107.04890	2.4
109.02873	4.0
110.06044	6.8
110.09673	3.8
111.08081	5.5
112.11234	3.1
113.02372	3.1
113.06007	5.2
114.05506	2.7
114.10297	4.0
119.04886	3.6
120.08089	5.3
122.05994	3.7
125.02373	2.8
126.05507	6.0
127.03906	5.3
128.10684	9.5
129.09096	11.6
131.12930	4.9
133.02838	3.3
139.07491	2.6
143.03381	5.2
145.02859	3.6
145.05026	2.1
147.04373	9.1
153.01785	4.8
156.10213	5.8
157.08595	13.8
157.10744	2.4
158.08093	2.2
161.02361	2.1
163.03856	5.4
169.81871	1.4
174.11241	100.0
175.03812	3.1
177.05415	4.5
186.07674	6.7
187.06029	2.3
189.01807	4.6
190.08600	1.7
191.03383	4.8
204.08669	22.9
207.02863	4.2
217.01372	6.7
219.02927	5.3
223.46313	1.8
231.02908	2.3
235.02359	6.6
235.99347	1.8
245.00749	4.6
247.02466	2.8
249.03879	2.7
263.01929	2.2
263.07126	1.8
273.00214	4.2
275.01776	2.8
277.03329	5.7
290.10092	2.8
303.01395	1.9
304.01697	2.9
305.02838	3.9
318.11664	2.0
336.10452	2.8
336.17239	8.8
337.01825	14.1
351.08978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	1.9
55.01860	1.4
55.05507	10.9
56.53461	0.9
57.07071	6.7
59.04983	1.0
65.03921	2.1
67.05167	1.6
67.05496	20.5
69.03415	4.9
69.07059	26.0
69.35144	8.4
71.04968	3.8
71.08620	1.0
74.74117	0.8
79.05481	12.5
81.07048	64.6
83.04966	4.5
83.08604	6.4
85.02869	1.3
85.06525	8.7
91.05477	13.1
92.05115	0.8
93.07033	27.7
95.04958	7.4
95.08594	25.6
97.06535	7.3
97.10127	1.0
99.04446	7.6
99.08105	0.9
101.05998	1.8
105.07021	25.2
107.08582	38.5
109.05775	1.6
109.06502	24.1
109.10143	60.8
111.08059	2.2
111.11671	1.2
113.06002	0.8
119.08572	11.4
121.06501	1.8
121.10128	16.6
123.08059	8.6
123.11690	31.8
125.09590	1.1
127.07546	12.4
129.07008	1.7
131.08559	4.8
133.10115	43.7
135.08006	2.0
135.11676	9.4
137.09608	2.7
137.13240	2.5
145.10120	7.2
147.11662	15.5
149.09605	6.5
149.13226	5.0
151.11165	100.0
152.11531	0.9
153.09085	1.1
153.12704	4.6
157.10081	1.4
159.11676	4.2
161.09570	2.6
161.13254	3.7
163.11191	5.0
163.14746	1.7
165.12724	10.7
167.10689	2.4
167.14241	1.0
169.12207	20.5
171.11641	0.9
173.13287	2.2
175.11255	1.9
175.14812	3.7
177.12654	1.1
177.16382	2.8
179.10667	23.8
179.14310	2.0
181.12242	3.5
187.14825	1.7
189.12663	1.5
189.16411	1.8
191.10657	3.2
191.17894	2.0
193.12254	9.6
193.15823	9.9
195.13824	1.2
197.11659	1.0
201.16374	1.3
203.17960	2.5
205.12320	0.9
205.26933	1.0
207.13809	2.4
207.17459	1.6
209.11653	1.2
215.12711	11.9
215.14449	1.2
215.17781	1.0
219.17331	2.1
221.18851	1.2
225.09981	0.9
229.14200	3.9
257.22626	2.2
261.18436	2.0
271.24155	1.9
275.23679	2.2
281.22507	1.3
289.25171	1.8
299.23734	4.1
303.10034	1.0
317.24695	16.4
335.25763	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.17758	1.3
53.03939	4.8
55.01852	1.6
55.05508	24.8
57.03178	2.2
57.03432	28.7
57.07059	2.3
63.16484	1.6
64.85181	1.1
65.03926	3.3
67.05502	100.0
69.07069	21.9
70.78545	4.1
79.05489	47.3
81.07056	93.3
83.04979	2.7
83.08610	9.8
85.06521	2.4
91.05478	25.7
93.07037	50.4
95.04959	5.9
95.08603	69.6
97.06541	2.3
97.10141	2.8
105.04467	1.7
105.07039	16.8
107.08589	25.2
109.09445	2.5
109.10152	29.0
117.06998	3.9
119.08590	13.8
121.10144	24.3
123.08076	1.6
123.11703	7.6
131.08568	8.9
133.10144	8.6
135.11676	15.3
137.13243	3.3
145.10149	4.6
147.11687	4.6
149.13229	7.5
152.26335	1.4
159.11655	4.0
161.13258	5.1
163.14839	1.7
173.13257	3.5
181.50967	1.3
201.16211	1.7
243.21254	3.0
247.47269	1.6
261.22092	5.5
295.34381	1.4
308.49802	1.4
328.72562	1.4
335.25784	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.40582	3.8
55.05502	23.8
57.03429	23.3
64.66578	3.8
67.05499	100.0
69.07060	20.7
69.09438	3.4
71.05000	4.2
79.05489	60.3
81.07053	92.2
83.08585	4.4
91.05485	28.7
93.07036	66.9
95.04975	7.0
95.08602	66.1
98.20601	7.4
105.07028	16.2
107.08574	28.4
109.10163	30.2
117.06989	5.9
119.08582	14.8
121.10173	20.6
123.11669	9.8
124.91621	3.5
131.08524	11.3
133.10124	11.6
135.11684	15.7
137.13188	3.5
145.10132	5.8
147.11659	7.1
149.13286	6.3
159.11678	6.2
163.14803	5.5
173.13147	5.0
185.52979	3.6
187.14772	3.7
209.10413	4.2
261.22159	7.7
305.23303	3.9
308.35513	4.0
335.25739	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02354	0.5
53.03932	3.3
55.01852	1.6
55.05502	25.3
57.03428	29.0
57.07061	2.2
65.03935	3.8
67.05493	100.0
69.03436	0.6
69.07056	23.9
69.99194	1.6
69.99615	0.9
71.04977	2.6
71.08616	0.5
76.77470	0.4
79.05480	46.9
79.46266	0.4
81.03402	0.7
81.07043	78.3
82.07378	0.7
83.04961	2.6
83.08604	9.0
85.06541	1.8
91.04887	1.1
91.05463	21.6
93.07027	50.4
94.07333	0.7
95.04957	6.1
95.08591	64.4
97.06520	3.0
97.10161	3.5
99.08041	0.9
105.04516	0.9
105.07011	12.8
107.08575	21.4
109.06499	2.0
109.10136	21.9
111.08051	1.5
113.09615	0.5
113.73716	0.4
115.05455	0.6
117.06973	4.0
119.07773	0.4
119.08560	9.8
121.10123	16.8
123.08047	1.7
123.11686	7.1
125.09637	0.8
127.07585	0.5
129.06984	0.4
131.08554	6.4
133.10104	6.9
135.11674	10.6
137.09663	1.1
137.13220	1.7
139.41348	0.4
145.10098	5.3
147.11658	4.2
149.09579	0.7
149.13243	4.5
151.11172	0.5
151.14778	0.6
159.11649	3.1
161.13240	2.8
163.11238	0.5
163.14796	1.2
173.13210	2.3
175.14789	1.4
177.12694	0.4
177.16382	0.7
187.14781	1.2
201.16516	0.6
243.21111	0.5
261.22116	2.5
281.70584	0.6
325.46268	0.5
335.22308	4.1
335.25726	91.8
336.26065	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	335.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
55.05506	28.6
57.03429	20.1
57.07054	4.1
65.03936	4.7
67.05496	100.0
69.07057	27.0
69.44684	18.2
71.04978	11.1
75.22250	1.9
79.05053	4.0
79.05485	53.4
81.07049	89.5
83.04980	3.3
83.08605	9.3
84.43923	2.0
85.06554	3.2
91.05467	50.0
92.04127	1.9
93.07033	61.7
95.04950	16.5
95.08598	70.2
97.06512	4.7
97.10149	3.0
98.21561	3.8
103.05481	2.1
105.07015	52.8
107.08584	42.5
109.06506	4.1
109.09444	3.7
109.10139	41.1
115.05453	2.2
116.06213	4.2
117.06998	14.2
118.18659	2.0
119.08569	52.6
121.10141	30.2
123.08021	4.4
123.11679	9.0
129.06975	10.1
130.07808	3.3
131.08554	40.4
133.10106	48.8
135.08047	8.1
135.11678	18.5
137.09596	3.9
138.49054	2.1
141.06940	2.8
142.07716	11.4
143.08528	18.8
144.09335	4.9
145.10092	39.2
147.08018	2.1
147.11650	12.2
149.09581	4.9
149.13240	9.9
155.08568	7.0
156.09326	8.2
157.10118	17.1
158.10864	6.8
159.11674	17.2
161.09541	4.6
161.13235	6.1
165.06970	2.3
167.08385	2.8
168.09181	2.2
169.10075	11.4
170.10869	6.1
171.11659	15.9
173.13251	35.3
175.14812	7.0
179.08507	4.2
180.09416	2.2
181.10075	5.3
182.10899	2.9
183.11676	6.8
184.12473	3.7
185.13298	11.4
187.11093	3.1
187.14819	13.3
192.09213	2.0
193.10155	3.9
194.10976	2.5
195.11696	10.1
196.12492	3.3
197.13283	15.5
199.14774	12.7
201.16306	2.5
205.10078	2.2
207.11592	5.7
209.13196	7.1
211.14796	7.1
212.15561	4.7
213.12660	4.0
219.11646	2.9
220.12488	2.7
221.13181	7.1
222.13930	2.2
223.14720	4.9
233.13254	3.7
235.14775	4.8
237.16370	4.6
243.21091	3.7
247.14822	3.7
249.16400	2.8
251.73451	2.2
261.22125	7.6
277.19470	7.3
279.17474	4.5
292.21921	2.4
335.19299	4.2
335.26028	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2215
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03959	4.2
55.01872	6.4
55.05505	16.9
56.96555	3.4
57.03428	15.6
57.07065	8.8
61.02922	17.9
61.97266	3.5
67.05502	34.6
69.03422	46.8
69.07066	29.2
71.21346	7.4
73.02895	3.9
79.05481	24.3
81.03407	9.8
81.07048	74.1
83.04964	12.0
83.08612	9.5
85.02903	31.1
85.06530	4.1
87.04470	26.8
91.03941	7.4
91.05470	32.2
93.07041	49.4
95.04969	13.6
95.08598	79.3
95.09160	6.8
97.02888	32.4
97.06511	8.1
97.10168	3.6
99.04438	5.3
105.06380	2.6
105.07019	74.1
107.08588	62.1
109.02885	10.9
109.06512	11.2
109.10142	41.0
111.04419	7.2
111.08092	4.6
115.03922	25.9
116.98627	3.1
117.07030	9.7
119.07767	6.9
119.08563	63.0
121.06534	9.5
121.10139	36.3
123.04394	5.9
123.08080	8.3
123.11696	36.1
125.05933	3.7
129.06987	7.1
131.08551	33.1
133.04948	9.4
133.10118	54.6
135.08054	13.7
135.11674	23.1
137.05957	4.8
137.09613	7.2
141.05447	4.7
142.07744	10.1
143.08534	24.0
144.09380	4.2
145.10114	56.9
147.07951	3.9
147.11665	38.3
149.09650	9.9
149.13268	14.8
150.09979	4.7
151.07556	5.6
151.11168	21.7
153.01819	4.9
155.08551	7.6
156.09389	6.4
157.10123	30.1
159.06558	9.7
159.11667	48.1
161.09634	5.3
161.13263	21.0
163.11229	8.3
168.10724	3.5
169.10120	14.1
171.11673	20.2
173.08101	5.2
173.13284	20.0
175.11176	5.3
175.14812	14.0
177.16370	4.8
183.11702	7.9
185.13261	10.0
187.09575	4.2
187.11252	4.4
187.14841	19.4
189.16382	42.1
195.11682	5.6
197.13300	6.3
199.14847	7.3
201.16362	57.1
203.14311	4.3
203.17926	21.4
211.14824	8.9
213.16422	23.0
215.17963	24.1
217.19534	5.2
227.17860	16.2
243.17503	9.2
245.18951	19.1
253.19620	3.7
271.20456	4.4
281.19073	8.6
287.19998	6.5
299.20041	18.9
317.21082	22.9
317.24478	6.9
330.97189	3.9
332.20230	4.2
335.22095	100.0
335.25607	10.2
336.22418	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	335.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.05495	15.7
57.03422	6.3
58.06585	4.7
67.05498	43.5
69.07055	19.1
71.30283	8.9
79.05485	27.3
81.07052	64.1
82.07389	5.1
83.04965	6.8
83.08589	8.6
88.07605	21.8
91.05470	19.3
91.64656	4.0
93.07034	44.0
95.04954	6.1
95.08599	82.6
97.06525	11.9
97.10170	6.4
99.04441	6.4
105.07024	19.9
107.08580	28.4
109.06497	18.3
109.10149	49.2
111.08052	8.8
113.05962	6.9
119.08569	15.3
121.06535	4.9
121.10136	48.4
123.08046	16.9
123.11721	6.7
127.00455	4.3
127.07532	8.7
131.08575	6.1
132.10243	4.9
133.10117	15.6
135.08011	10.4
135.11688	15.6
137.09601	76.5
139.11104	5.0
145.10132	12.6
147.11682	9.1
149.09596	60.6
151.11163	29.5
153.09061	6.2
157.10143	7.1
159.11717	4.4
163.11151	26.3
167.10661	10.2
169.12283	4.5
171.11659	4.3
172.50258	4.2
173.13202	7.2
179.10721	5.5
181.12160	27.6
185.13063	4.5
224.31218	5.0
243.13788	5.1
243.25127	17.5
258.35388	5.5
279.04419	4.7
287.27887	10.3
289.21658	13.7
299.20084	17.7
313.07611	5.0
317.21048	58.5
318.21487	6.0
335.18509	5.2
335.25980	8.9
335.29779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2212
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
53.03930	6.2
55.01856	4.2
55.05499	16.0
56.18597	1.8
56.96553	4.1
57.03418	3.0
57.07049	2.0
59.04986	2.1
65.03936	2.4
67.05496	29.5
69.03429	12.2
69.07063	22.3
71.04987	4.8
71.59381	2.7
79.05481	35.6
81.03407	44.8
81.06567	4.2
81.07044	75.3
83.04977	11.3
83.08613	9.1
85.02892	3.1
85.06522	5.7
91.05470	31.5
93.07027	53.6
95.04963	17.7
95.08039	3.2
95.08595	33.0
97.06534	11.8
97.10155	3.4
99.04436	6.0
99.08062	3.4
105.07018	46.1
107.04936	15.8
107.08582	70.4
109.06509	21.1
109.10139	100.0
111.04433	3.7
111.08065	17.8
115.05408	3.0
117.06996	7.5
119.08563	35.7
121.06474	8.1
121.10132	69.1
123.04421	2.7
123.08024	18.9
123.11689	23.9
125.05986	2.7
125.09621	7.2
127.07536	7.7
128.16112	1.9
129.07030	3.1
131.08563	10.7
133.06488	4.0
133.10110	53.9
134.99667	2.8
135.07083	3.4
135.08044	39.0
135.11671	32.6
137.09602	27.4
137.13225	4.3
139.07558	3.3
139.11172	7.1
142.07779	2.0
143.08543	5.0
145.06474	3.5
145.10103	15.0
146.99596	2.2
147.08040	6.4
147.11659	15.5
149.09602	53.5
149.13229	8.6
151.11163	88.5
153.09070	2.9
155.08533	2.7
157.10117	7.1
159.08061	2.4
159.11649	10.9
161.09612	9.4
161.13231	6.9
163.11162	17.3
163.14766	3.1
163.50346	1.9
165.09097	4.0
165.12740	8.5
167.10667	4.6
169.10068	2.7
169.12244	17.2
171.11723	6.4
173.13255	7.3
175.03976	2.2
175.11139	5.4
175.14775	13.7
177.12788	2.8
177.16356	3.8
179.10652	26.8
183.11647	2.2
185.13284	2.2
187.11256	2.4
187.14835	4.2
189.12727	6.7
189.16306	10.2
193.12216	6.8
197.11581	2.8
197.13235	3.1
199.14899	2.6
201.12727	2.5
203.14290	2.9
203.17926	3.2
207.17490	4.2
213.16393	4.0
215.12753	13.5
215.14471	2.4
217.15855	6.9
235.16885	5.0
239.18028	2.9
243.13718	2.4
253.19489	3.6
257.19055	3.6
271.20502	3.7
281.18958	6.4
289.21570	4.0
299.20004	13.3
299.23145	2.2
317.21094	37.0
317.24646	7.3
335.18225	3.7
335.22253	7.8
335.25934	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	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05051	7.8
70.05448	9.7
85.02921	3.9
119.01945	5.6
123.05553	7.7
123.87048	3.7
157.50781	3.8
173.02425	43.9
185.04193	20.7
191.03481	6.9
203.05283	4.2
205.82057	4.8
219.02827	7.3
229.01196	6.6
234.76712	4.0
247.02299	6.0
257.00781	10.9
259.02484	4.7
275.01877	10.0
276.02585	18.2
285.00269	14.0
291.05042	7.8
303.01355	74.4
335.07773	100.0
335.13107	18.6
336.07468	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	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
54.62088	1.1
55.01860	1.4
55.05502	15.6
56.96556	1.8
57.03433	19.0
57.07059	3.3
64.69307	1.0
65.03927	2.6
67.05494	65.5
69.07056	16.9
69.96088	6.8
71.04990	1.3
71.08575	1.3
72.40392	1.1
79.05478	31.1
81.07040	54.9
83.08619	6.2
85.06532	1.8
91.05463	17.0
91.06002	1.5
93.07027	32.9
95.04954	3.7
95.08591	38.7
97.06519	2.1
97.10132	3.3
97.67115	1.1
103.20364	1.1
105.07021	10.0
107.08581	15.0
108.76859	1.1
109.06488	1.4
109.10141	16.3
111.08011	1.5
117.06996	3.0
119.08549	8.1
121.10130	14.2
123.08069	1.7
123.11677	4.9
131.08560	5.3
133.10144	5.1
135.11649	7.9
145.10103	2.8
147.11681	3.4
149.13243	2.1
158.46240	1.5
159.11668	2.4
161.13228	3.3
173.13232	2.5
175.14676	1.4
227.25443	1.3
235.13100	3.4
239.08603	1.5
239.11359	2.0
261.22110	1.6
277.40689	1.2
306.93137	1.3
335.21829	100.0
335.25787	61.8
336.22052	3.6
336.25766	3.4
353.22009	2.6
357.38153	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2211
Annotation	15-deoxy-PGD2
Peak:m/z	Relative Intensity
53.03924	2.0
55.05498	8.3
56.05017	2.6
56.96551	3.3
57.07054	7.5
58.06590	3.6
67.05496	25.5
69.03415	3.7
69.07061	9.2
70.91846	3.6
71.04967	1.8
74.06056	2.8
79.05057	2.5
79.05486	37.0
81.07044	35.1
83.04955	7.4
83.08606	3.4
86.06053	3.0
88.07609	19.6
89.07941	6.2
91.05461	19.6
93.07030	50.6
95.04937	5.5
95.08596	18.9
97.06509	2.6
99.04414	2.0
104.07114	2.3
105.07009	29.3
107.04890	2.4
107.08581	73.6
108.08839	2.5
109.06514	9.4
109.10139	71.4
110.10461	3.0
111.08019	5.7
117.06954	4.0
119.08562	29.1
121.00501	2.5
121.06468	5.1
121.10130	100.0
122.07261	2.2
122.10497	2.8
123.08047	8.3
123.11707	8.9
125.05982	9.1
125.09624	7.8
131.08522	9.0
132.10193	4.5
133.10092	14.0
134.99663	1.7
135.08011	11.6
135.11682	26.2
137.09599	39.8
139.07495	2.0
143.08571	4.4
145.10175	11.1
147.11674	11.4
149.02301	4.0
149.09598	89.3
150.09912	3.4
151.11177	20.0
153.09056	7.4
155.08412	2.2
157.10092	6.0
159.11649	10.0
161.09525	2.6
161.13313	2.5
163.11163	15.1
165.09128	2.6
165.12660	2.3
167.10658	7.3
169.10081	2.3
171.11662	6.3
173.09769	1.7
173.13306	9.4
175.11034	1.8
175.14792	4.6
177.12730	5.2
179.10608	3.1
181.12219	3.1
183.11664	4.5
185.13245	3.4
189.12663	2.1
191.14297	3.4
195.11560	1.8
197.13184	4.1
209.15305	3.0
211.14836	2.0
215.14398	2.3
217.15747	1.8
219.13737	2.1
229.19606	3.5
233.15416	3.0
239.17950	4.7
242.24745	4.9
243.25084	19.9
253.19511	3.0
255.17465	3.9
257.18945	6.7
271.20428	2.9
275.19870	2.4
281.18961	3.0
287.19925	3.1
287.27707	7.3
288.92212	2.0
289.21564	12.3
299.19958	16.0
305.51587	1.8
317.21091	47.5
318.21335	2.9
335.22119	3.1
335.26096	3.3
335.29773	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	334.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68632	0.7
57.64346	0.7
67.05511	1.2
69.03419	2.1
70.06596	0.9
71.59594	1.2
79.05471	1.8
81.07030	2.6
84.08131	1.8
85.02887	0.9
86.09668	1.2
88.04012	1.0
91.05466	7.4
93.07024	2.3
95.08624	0.9
97.06490	0.8
103.05431	1.1
105.07017	17.1
107.08590	1.5
109.02860	1.4
115.05380	1.6
116.06238	1.6
117.06995	10.5
119.08585	3.9
121.06519	1.1
128.06250	1.9
129.07007	4.2
130.07758	11.3
131.08553	21.0
133.10126	1.7
134.04488	1.4
143.08556	7.8
144.09300	2.9
145.10110	100.0
146.10461	2.9
153.04587	0.8
156.27933	0.9
157.10141	1.0
158.07121	0.9
158.10872	5.2
159.08076	1.3
159.11665	2.4
173.13245	43.7
174.13612	1.6
175.14833	0.8
183.11737	1.6
187.11156	1.4
189.27618	0.8
196.06061	0.7
201.12720	27.1
217.69328	0.7
222.10025	0.7
270.14780	0.9
288.15802	1.6
316.15457	1.9
329.04980	0.9
334.12747	0.9
334.16348	12.9
336.92075	0.9
347.06332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22549	2.8
61.26136	3.1
69.54556	25.2
69.54867	6.8
173.04185	4.0
173.16563	3.9
203.05234	4.7
210.33769	2.6
221.16142	3.0
317.08328	4.1
335.09283	97.7
335.13083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.05504	5.2
57.21713	2.1
60.78765	2.4
67.05488	6.9
69.03403	8.4
69.07047	12.7
70.06571	1.8
70.22878	5.9
71.08563	2.0
77.00893	3.2
79.05479	9.4
81.03410	100.0
81.07064	15.0
83.04972	6.6
83.08617	2.0
91.05466	9.7
93.07018	13.4
95.04963	7.0
95.08602	15.7
97.06514	5.2
98.21507	2.9
105.07031	9.0
107.08593	23.9
109.02857	6.4
109.06525	5.7
109.10150	22.1
111.08085	10.9
117.06985	2.1
119.08557	9.7
121.06522	6.1
121.10120	23.9
123.04394	3.6
123.08047	6.9
123.11678	5.5
131.08549	9.2
133.10139	15.7
135.08040	14.7
135.11690	6.3
137.09608	12.0
143.08537	2.6
145.10124	6.8
147.11642	8.2
149.09607	28.6
149.13217	7.4
151.11188	7.0
152.22958	2.1
153.33569	1.8
155.71124	2.1
156.09180	2.4
158.10887	3.6
159.11667	5.5
161.09602	8.1
161.13245	11.2
163.11266	2.5
163.14812	8.0
171.11632	5.1
172.12465	2.5
172.43816	2.0
173.09601	2.9
173.13246	14.8
175.35825	2.2
177.09047	3.1
177.16347	5.1
179.10660	32.5
187.11188	5.0
187.14795	16.7
189.12769	16.2
191.14276	30.0
201.09668	3.5
205.12119	2.3
205.15811	10.6
207.17380	6.0
213.12709	3.8
215.14331	5.0
219.10780	3.5
233.15405	11.4
239.11278	4.5
243.89236	2.5
257.12317	14.0
269.19012	14.8
275.16507	3.5
279.17422	2.9
286.92285	2.3
287.20337	3.7
292.46249	2.2
294.32816	2.2
297.18475	8.5
315.19598	23.6
333.19577	21.4
351.20276	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	333.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01860	3.2
55.05512	20.3
56.96558	11.7
57.03411	6.1
57.07063	4.7
59.04975	2.2
60.04495	1.9
64.31535	1.8
65.03930	2.0
67.05502	59.7
67.56857	1.9
69.03432	16.9
69.07063	25.3
71.04995	6.1
71.60069	2.5
71.60433	1.8
71.60793	1.9
79.05057	2.8
79.05489	44.5
81.03413	11.2
81.07053	71.8
83.04974	7.9
83.08613	14.3
85.02902	11.9
85.06544	3.9
87.04482	2.7
91.05473	38.7
92.05851	2.7
93.07040	57.5
95.04951	15.8
95.08602	52.3
96.08923	2.0
97.02898	11.2
97.06537	8.0
97.10155	7.5
98.97575	8.8
98.98471	3.9
99.04444	3.0
103.03931	4.7
103.05444	4.6
105.07032	39.3
107.04930	11.7
107.08596	41.7
109.02857	4.7
109.06509	12.7
109.10152	61.9
109.10912	3.6
111.04452	4.6
111.08055	9.7
111.11703	4.0
112.18692	2.0
114.99813	2.1
116.98614	6.0
117.05460	2.8
117.07011	10.7
119.04910	3.0
119.08570	32.2
121.06489	15.0
121.10140	100.0
121.68665	1.8
122.07272	2.0
122.10404	3.1
123.04460	2.9
123.08030	11.2
123.11713	16.8
125.05966	4.5
125.09595	3.4
127.03868	2.6
127.07562	2.0
129.06984	2.5
131.04944	3.8
131.08559	23.3
133.06488	2.5
133.10112	28.0
134.07272	2.1
134.99626	4.8
135.08051	17.3
135.11714	20.3
136.08850	2.2
137.05978	3.2
137.09615	31.0
137.13272	3.8
139.11232	3.0
143.08568	5.7
145.06429	2.3
145.10109	18.0
147.08043	11.5
147.11697	12.5
149.09607	59.1
149.13231	7.7
151.07477	3.1
151.11176	8.1
153.01834	3.2
153.09032	2.9
155.08504	3.4
157.10109	5.0
159.11702	11.9
161.01245	3.8
161.09618	6.7
161.13252	6.6
163.07516	10.7
163.11168	3.0
163.14824	3.3
165.09076	3.7
165.12796	3.7
167.07066	2.6
167.08543	2.2
167.10693	2.4
169.10213	2.5
171.11705	5.5
173.09621	2.1
173.13257	7.3
175.11212	3.6
175.14795	7.3
177.12720	3.6
179.10655	4.9
183.11757	2.9
185.13277	6.4
187.11105	3.1
187.14835	3.6
189.12709	3.4
189.16388	3.0
191.14322	4.2
195.11670	2.7
201.12637	2.2
201.16298	2.4
203.10449	1.9
204.09076	3.7
209.13274	3.7
217.12218	2.6
217.19476	2.0
225.04353	2.4
227.17944	2.1
227.76636	2.6
241.19594	2.6
243.14247	3.8
243.21057	3.4
243.64464	1.9
251.18002	2.7
252.14830	1.8
259.08456	2.9
261.22055	13.7
267.10654	7.8
267.60809	2.6
269.18954	5.6
269.22510	3.0
276.11142	13.3
276.61264	3.9
279.17319	2.3
279.23251	16.8
287.20065	13.4
287.61972	4.9
297.18491	5.7
297.24371	3.1
301.10840	2.2
304.89383	1.9
305.13766	3.5
315.16278	2.5
315.19662	34.6
315.22946	4.1
318.03751	5.5
333.06705	9.0
333.12885	50.6
333.20486	7.9
333.24210	7.5
333.62891	11.2
334.23822	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	333.2057
Annotation	Umbellacin C
Peak:m/z	Relative Intensity
53.03930	7.7
55.05496	12.5
57.03416	2.8
65.03928	4.2
67.05492	35.5
69.03413	7.0
69.07063	15.0
69.37095	10.2
69.37521	20.0
69.96675	2.4
71.04971	3.8
75.45313	2.9
75.93337	2.8
79.05485	56.3
81.03416	3.8
81.07049	35.1
83.04971	10.7
83.08616	6.4
85.06519	3.3
91.05477	44.4
93.07036	53.6
95.04967	19.6
95.08598	24.1
97.02859	4.7
97.06531	12.3
97.10154	2.8
98.21555	6.1
98.98463	5.1
99.04449	3.1
105.03327	3.2
105.07015	40.3
107.04945	3.9
107.08580	44.7
109.06503	16.2
109.10139	66.5
111.04422	14.5
111.08044	17.4
117.06977	7.8
119.08559	46.3
121.06493	8.1
121.10128	59.1
122.07265	3.7
123.04442	11.3
123.08064	18.4
123.11705	8.8
125.05983	17.4
125.09605	10.2
129.07004	4.3
131.08548	19.8
133.10120	41.7
135.08047	17.1
135.11655	16.8
137.05966	4.8
137.09601	100.0
138.10399	4.7
139.07518	5.1
139.11139	6.8
143.08546	5.8
144.78200	3.1
145.10103	13.9
147.07993	6.4
147.11693	13.7
149.09608	65.8
151.07611	7.4
151.11159	10.9
153.09096	8.9
157.10049	6.4
159.11635	9.2
161.09596	10.0
161.13306	5.5
163.11197	6.8
165.09073	7.8
165.12737	12.1
167.10658	13.6
171.11636	8.0
173.13200	7.2
175.14835	3.4
177.09082	4.4
177.12773	3.3
179.10631	26.9
181.09993	3.1
185.13243	6.5
189.12796	4.0
193.15956	4.0
205.12148	3.9
217.12312	4.7
219.13661	3.6
241.12224	3.5
255.13812	5.3
257.15445	4.7
259.13171	3.8
269.18924	4.1
287.20010	20.9
297.18475	21.8
315.19482	57.6
333.20535	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03953	3.2
55.05503	9.9
64.83631	2.9
67.05494	27.4
69.03416	3.3
69.07065	18.5
69.41347	5.1
69.41747	21.6
75.05143	3.0
75.33141	2.7
76.83346	2.9
79.05485	60.2
81.07050	27.9
83.04978	10.6
83.08599	3.6
88.09418	2.6
89.00605	2.6
91.05467	43.5
93.07037	60.6
95.04955	10.6
95.08614	19.9
97.06520	8.1
98.97566	3.9
103.05424	4.5
105.03369	3.7
105.07021	47.1
107.04932	5.4
107.08586	44.1
109.06508	14.2
109.10145	88.2
110.73354	2.7
111.04423	13.5
111.08077	5.6
117.07008	9.3
119.08572	47.4
121.06504	10.1
121.10130	100.0
122.07261	5.3
123.04420	12.1
123.08073	9.9
125.05978	16.5
125.09587	6.9
129.06973	5.6
131.08577	19.0
133.10120	43.8
135.08028	14.2
135.11694	17.7
137.05931	7.6
137.09607	90.5
139.11171	5.1
143.08546	10.0
145.10139	9.1
147.08017	10.3
147.11665	6.4
149.09604	99.5
151.07526	3.6
151.11174	15.2
153.09093	8.7
157.10086	6.9
159.11690	7.6
161.09628	12.9
161.13284	3.8
163.11194	5.7
165.09120	6.6
167.10710	14.0
171.11676	6.0
172.87561	2.8
173.13268	4.9
175.11176	3.7
177.09106	3.8
179.10689	31.3
185.13274	5.1
205.12276	3.5
211.14758	2.8
213.12758	3.0
217.12335	3.6
221.16072	2.8
231.13869	5.1
241.12135	5.1
251.17844	2.9
255.13770	5.3
269.19009	5.3
285.18628	4.3
287.19968	21.0
297.18585	20.5
315.19550	70.4
333.20609	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	333.2056
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
55.05505	4.4
64.30776	2.3
67.05487	16.3
68.93671	2.3
69.07074	3.4
69.40834	22.6
69.41178	3.3
79.05486	18.8
81.07053	18.6
91.05460	19.5
93.07037	29.1
95.04946	6.4
95.08591	7.4
105.07021	20.4
107.04932	2.6
107.08585	21.6
109.06510	9.2
109.10140	51.7
111.04445	3.1
117.06986	3.9
119.08577	17.1
121.06446	3.2
121.10130	100.0
121.11019	5.3
123.08047	5.7
123.11672	3.5
131.08560	5.4
133.10132	14.5
135.08026	8.5
135.11667	8.1
137.09616	31.8
145.10167	4.7
147.08015	6.6
147.11610	3.2
149.09604	68.7
151.11179	4.4
157.10123	4.4
159.11620	4.6
161.09589	2.9
165.09084	2.9
171.11652	5.2
173.13239	4.1
179.10753	2.9
185.13150	3.4
199.14705	3.6
205.12106	2.5
242.88231	2.6
269.18942	6.9
279.17261	2.4
287.19983	16.6
297.18518	6.8
315.19565	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2057
Annotation	Divinatorin A
Peak:m/z	Relative Intensity
53.03944	3.3
55.01868	1.6
55.05508	5.2
57.03429	1.4
57.07083	1.5
57.44848	1.0
59.04989	1.5
67.05492	7.6
69.03411	5.6
69.06718	1.3
69.07066	15.3
70.80472	3.1
77.22073	1.0
79.05500	6.4
81.03415	100.0
81.07055	14.4
83.04980	4.6
83.08592	3.9
85.06529	1.4
91.04989	1.4
91.05470	8.0
93.07034	11.2
95.04961	5.4
95.08607	12.7
97.06535	4.2
105.07030	11.0
107.04939	1.7
107.08586	24.0
109.02873	8.0
109.06518	5.4
109.10151	15.3
111.04544	1.0
111.08081	10.3
117.07021	1.8
119.08576	12.3
121.06501	5.9
121.10137	22.9
123.04475	2.2
123.08054	6.7
123.11683	5.8
125.06056	1.2
125.09666	1.9
127.38850	1.1
129.07018	1.4
131.08578	8.6
133.06451	1.7
133.10129	12.8
133.85490	1.2
135.08044	15.5
135.11693	5.9
137.09616	10.0
143.08508	2.3
145.06548	1.4
145.10139	8.5
147.08014	1.4
147.11684	7.6
149.06003	3.2
149.09610	24.5
149.13283	6.6
151.07552	1.3
151.11165	6.7
157.10103	2.5
158.10930	2.7
158.30214	1.2
159.08049	3.4
159.11693	4.6
161.09596	5.9
161.13268	8.9
163.07521	3.3
163.11191	2.8
163.14799	4.3
165.09071	1.8
171.11694	2.4
172.12473	1.6
173.09589	3.1
173.13254	14.4
174.10419	3.4
175.11279	1.2
177.09068	3.1
177.16418	4.3
179.10670	27.3
185.13361	1.6
187.11171	2.6
187.14819	12.3
189.12726	16.1
189.16357	1.3
190.07066	1.1
191.14293	26.5
193.12311	1.3
199.11151	1.8
205.12206	1.2
205.15863	11.9
207.17409	1.7
213.12677	2.0
215.14394	5.6
229.15901	1.6
233.15382	9.5
269.18982	11.7
279.17368	2.3
297.18393	8.5
315.19519	20.2
333.20618	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
50.70007	3.3
55.05516	3.8
67.05505	16.1
69.07075	3.8
70.01642	16.0
79.05481	13.3
81.07053	13.7
86.57407	3.6
89.54771	3.8
91.05475	17.0
93.07043	30.8
95.08604	10.8
105.07030	19.2
107.08570	18.6
109.06520	7.7
109.10153	56.3
111.04464	3.5
118.21973	4.4
119.08588	15.3
121.06522	4.1
121.10133	100.0
123.08033	5.6
123.11671	5.8
132.06412	3.3
133.10123	14.2
135.08083	8.2
135.11685	6.3
137.09589	36.1
139.92989	3.9
145.10132	6.5
147.08037	7.1
147.11728	8.2
149.09615	61.6
161.09569	3.7
173.13165	5.2
199.14980	3.9
202.33237	3.6
205.12347	3.2
269.18860	5.3
276.67276	4.0
287.20078	16.4
297.18558	7.3
315.19510	26.1
354.97879	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	333.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01860	4.4
55.05506	24.9
56.96561	14.7
57.03423	6.2
57.07061	8.2
61.02910	6.7
63.60176	2.3
65.03927	4.3
67.05499	62.1
69.03425	18.4
69.07064	25.1
70.49598	8.6
71.01353	3.5
71.04972	9.8
73.02914	4.4
79.05491	50.9
81.03421	12.9
81.07048	81.6
83.05015	5.2
83.08608	16.8
85.02886	9.8
85.06504	5.5
87.04443	5.4
91.05473	46.5
93.07037	60.6
95.04955	20.8
95.08596	61.0
96.88964	2.3
97.02879	9.6
97.06522	11.3
97.10165	10.7
98.97578	9.9
98.98460	5.8
99.04446	4.3
103.03923	5.7
103.05457	7.6
104.89569	3.0
105.07021	45.3
107.04932	10.6
107.08579	45.7
109.06508	14.7
109.10152	69.8
110.60552	2.4
111.04420	8.2
111.08057	6.8
113.05984	3.2
115.03897	3.4
115.05428	4.8
116.98618	6.3
117.07008	13.0
119.08573	49.5
121.06484	14.1
121.10136	100.0
121.11028	4.7
123.08040	14.0
123.11708	18.5
125.05995	7.5
125.09599	5.6
131.04910	10.2
131.08569	25.9
133.06523	4.9
133.10133	30.6
134.99638	4.4
135.08049	20.4
135.11685	20.9
137.05962	6.6
137.09601	34.1
137.13255	6.3
138.10397	2.6
139.11130	2.6
143.08543	6.1
145.06381	3.0
145.10106	15.8
147.08046	8.8
147.11658	11.5
149.09608	61.3
149.13219	6.1
151.11159	11.0
153.01863	11.7
157.10143	8.0
158.99626	4.3
159.07988	4.0
159.11694	15.2
161.09644	11.6
161.13261	9.3
163.07561	14.6
163.11230	6.3
165.09094	4.4
165.12817	3.1
167.07079	3.4
171.11671	10.6
173.13232	10.9
175.11166	3.5
175.14833	5.1
177.00729	4.9
177.09032	3.1
177.12685	3.6
179.10678	5.6
181.12068	2.6
183.08101	3.0
185.13289	2.9
187.51010	2.6
189.09038	3.1
189.12776	4.2
191.14296	3.4
199.11168	2.8
199.14758	3.1
201.08997	2.9
201.12807	2.7
203.14334	3.6
204.08987	4.1
237.02888	3.9
237.16312	3.1
252.14879	4.9
261.22134	12.6
267.10718	7.1
269.19034	3.0
276.11255	12.1
276.61414	3.6
279.17490	2.6
279.23199	15.1
287.20084	14.4
297.18448	8.4
303.19443	4.0
305.13812	4.6
315.19580	31.3
315.22943	5.4
318.03656	7.5
333.05957	10.5
333.12991	61.7
333.17087	4.1
333.20441	12.0
333.24252	12.2
333.62866	7.7
334.13446	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	333.2056
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03931	1.1
55.05489	1.6
56.94972	0.4
56.96551	1.4
57.07063	0.5
58.92688	0.5
67.05504	3.8
69.03416	1.1
69.07053	2.6
69.83764	1.2
69.84174	1.9
71.04961	0.7
79.05488	5.2
81.03381	1.4
81.07053	6.0
83.04956	1.1
91.05470	6.8
93.07030	11.6
95.01343	0.7
95.04959	1.5
95.08596	4.3
97.02872	1.4
97.06511	1.1
98.21599	0.5
98.98476	1.3
105.07021	8.8
107.04931	2.1
107.08589	6.9
109.06487	2.0
109.10144	5.4
111.04399	1.1
111.08073	1.0
116.98579	0.8
117.07013	1.1
119.08575	6.3
120.49968	0.5
121.06491	1.5
121.10130	7.5
123.07976	2.5
123.11668	0.8
125.05959	1.5
127.03880	1.7
129.06985	0.9
130.07819	0.6
131.08542	2.6
133.06496	0.8
133.10133	3.8
135.08041	4.0
135.11668	1.9
137.09639	2.7
142.07782	0.7
143.08530	1.7
145.10115	2.0
147.08020	4.8
147.11690	1.8
149.09602	100.0
150.10028	1.5
151.07536	0.8
151.11147	1.0
151.89536	0.6
156.09334	0.8
157.10120	1.8
159.08040	1.0
159.11668	2.0
161.09552	1.8
161.13199	1.0
163.11154	2.0
165.09105	0.8
167.08488	0.7
171.11710	0.8
173.09685	0.6
173.13251	1.8
175.11180	0.7
177.09053	0.6
179.10576	1.3
185.09514	0.8
185.13292	1.0
187.11237	0.7
187.14922	0.9
189.12764	1.8
191.14337	0.8
193.18970	0.5
197.09532	0.5
199.14772	0.8
203.14308	1.2
213.12602	0.7
213.16371	0.7
227.14273	0.8
229.38324	0.6
241.12389	0.6
255.17455	0.5
269.19113	1.5
273.11176	0.6
287.16324	0.6
287.20285	0.8
293.84323	0.5
297.18408	2.8
315.19510	16.4
318.03775	0.8
333.06024	1.0
333.16983	0.7
333.20602	3.2
333.24225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2054
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
55.05493	11.0
67.05496	22.0
69.07050	15.7
71.11209	6.8
71.11524	7.0
79.05480	57.4
81.06628	5.4
81.07047	23.8
83.04984	6.9
83.62656	5.0
91.05466	40.8
93.07038	53.5
95.04974	11.2
95.08631	11.1
97.06528	5.5
97.59682	5.5
105.03411	6.8
105.07054	50.2
107.08591	42.8
109.06497	14.8
109.10145	47.3
111.04469	14.3
117.06949	5.6
119.08578	38.2
120.78268	5.2
121.06529	6.3
121.10130	64.7
123.04427	15.2
123.08040	11.2
125.05966	15.6
125.09626	6.2
131.08549	23.9
133.10110	40.8
135.08058	8.8
135.11658	17.2
137.09601	100.0
139.11186	7.0
140.11694	5.4
143.08565	9.3
147.08002	8.5
147.11586	6.3
149.09605	74.1
151.11188	15.7
153.09081	8.2
157.10057	5.5
159.11713	5.6
161.09662	8.6
165.09109	5.8
167.10654	21.0
171.11743	8.1
179.10657	45.9
205.12161	7.9
217.12466	5.8
279.88416	4.8
287.20068	17.2
297.18472	24.6
315.19553	76.8
322.01379	5.5
329.24066	5.7
334.29526	7.0
351.44693	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	333.2058
Annotation	5,6-Epoxy-18R-HEPE
Peak:m/z	Relative Intensity
53.03936	3.6
55.05501	5.5
56.96570	5.5
57.03439	3.0
65.03922	2.9
67.05499	14.1
69.03428	15.6
69.07059	19.5
70.14523	8.1
75.90203	2.1
79.05491	16.5
79.96261	1.9
81.03416	100.0
81.07056	19.3
83.04971	6.4
83.08600	3.9
85.02904	9.0
87.04478	3.2
91.05489	14.9
93.07051	20.5
95.04961	8.9
95.08596	18.6
97.02902	7.7
97.06530	8.3
98.97594	6.0
105.07032	18.1
107.04967	4.9
107.08585	32.9
109.02889	8.9
109.06519	9.7
109.10149	28.2
111.08070	7.7
117.07036	5.0
119.08573	15.3
121.06528	7.2
121.10140	36.0
123.04488	3.1
123.08064	6.3
123.11715	6.0
125.05967	2.4
131.04916	2.9
131.08589	9.6
133.06487	3.7
133.10123	21.3
135.08067	15.6
135.11697	9.8
137.05939	3.6
137.09622	23.8
145.06471	2.1
145.10101	15.5
147.08073	3.4
147.11633	11.5
149.09622	32.4
149.13280	6.8
151.07494	2.8
151.11186	12.2
157.10133	3.0
158.10939	3.3
159.08139	2.8
159.11713	6.6
161.09641	6.3
161.13229	10.3
163.07573	3.0
163.14807	5.3
165.09145	4.1
167.10634	2.3
171.11652	3.7
173.09613	3.4
173.13261	17.9
174.10442	2.6
179.10666	29.3
185.13266	3.6
186.55675	2.3
187.11188	2.4
187.14807	15.1
189.12718	14.9
191.14325	25.3
204.09190	3.6
205.15947	9.9
207.17412	3.6
209.13367	2.3
213.12918	2.7
215.14317	6.4
233.15436	9.2
267.10669	40.0
267.60831	12.0
269.18997	10.9
275.16431	3.5
279.17456	3.4
287.20053	4.0
287.62085	3.3
297.18353	11.0
315.19562	28.9
315.22961	3.4
333.12790	18.2
333.20703	6.2
333.63025	6.4
342.20587	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	333.2055
Annotation	Divinatorin A
Peak:m/z	Relative Intensity
53.03934	5.4
55.01839	1.2
55.05500	4.6
56.96555	2.4
57.07056	1.1
67.05498	7.7
69.03424	6.7
69.07058	12.4
69.38447	3.5
69.38859	8.0
74.25669	1.2
79.05492	7.9
81.03408	100.0
81.07052	14.7
83.04969	4.3
83.08604	3.7
85.06528	1.6
91.05456	6.8
93.07037	12.3
95.04950	5.1
95.08569	11.3
97.06511	4.7
98.21564	2.0
105.07014	11.1
107.04960	2.7
107.08578	26.7
109.02860	5.1
109.06536	6.4
109.10139	19.2
111.08065	9.8
114.30350	1.6
117.07018	2.5
118.55933	1.1
119.08562	12.2
121.06480	5.9
121.10130	23.2
123.04443	1.9
123.08063	6.3
123.11720	5.9
125.09618	2.7
131.08560	7.8
133.10118	15.5
135.08040	13.8
135.11656	5.5
137.09616	11.4
143.08585	2.1
145.06464	2.1
145.10080	10.4
147.08003	1.5
147.11649	7.2
149.05905	1.7
149.09602	22.8
149.13254	4.7
151.07549	3.4
151.11169	5.9
151.36725	1.2
153.09128	1.1
157.10132	1.4
158.10815	4.0
159.08041	2.6
159.11662	5.1
161.09630	6.0
161.13235	8.2
163.11166	2.2
163.14801	6.0
165.09058	2.7
169.10130	1.3
171.11670	2.1
172.12469	1.6
173.09546	1.9
173.13266	17.7
174.10402	4.8
175.11176	1.6
177.09064	1.9
177.16359	2.9
179.10643	23.9
187.11214	2.4
187.14787	15.4
189.12759	14.6
189.16371	1.7
191.14296	24.9
199.11223	2.5
203.14169	2.3
205.15868	12.8
207.17413	1.8
211.14816	1.3
213.12801	2.5
215.14279	5.1
225.16190	1.2
233.15279	8.9
239.14301	1.5
251.17934	2.0
269.18964	13.4
279.17337	2.2
287.19989	2.7
297.12354	1.4
297.18484	7.9
315.19534	21.1
333.20541	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
57.04759	1.1
67.05487	2.4
69.35821	4.7
69.36253	5.7
79.05463	3.0
81.03420	1.7
81.07032	2.6
83.28188	1.0
91.05447	2.4
93.07028	2.2
95.08594	2.0
98.98470	1.4
104.05588	1.0
105.07031	5.6
109.10149	5.1
121.10134	8.5
133.10112	3.1
137.09618	2.2
141.16153	1.2
149.09599	5.1
195.11989	1.2
278.71942	1.4
287.19965	2.1
315.19568	2.8
329.90015	1.1
333.20325	100.0
334.20682	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55178	0.6
56.96551	1.8
65.93250	0.6
67.05485	2.4
69.07067	0.8
69.38604	0.5
69.85152	1.2
69.85562	2.4
79.05482	1.6
81.03356	0.9
81.07027	1.6
91.05457	1.8
93.07028	2.0
95.08608	1.1
98.98476	0.9
105.07011	1.8
107.08570	2.3
109.10130	2.1
116.98599	1.1
119.08577	1.8
120.34798	0.6
121.10142	4.7
123.08102	0.7
131.08528	1.1
133.10132	2.2
135.08014	0.6
135.11655	0.8
137.09595	1.5
143.08586	0.7
144.09303	0.6
145.10088	0.9
149.09601	3.3
159.11665	1.0
165.09164	0.7
203.07709	0.6
243.14531	1.5
304.89386	0.8
315.19449	1.2
317.98178	0.6
333.20325	100.0
334.20801	1.7
351.18741	2.3
359.90924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
55.05500	15.9
57.07052	7.5
59.05004	6.9
64.01467	5.7
67.05494	37.6
69.03413	7.9
69.07082	31.0
69.96793	35.7
71.04999	6.6
77.23105	5.8
79.05502	59.4
81.07057	39.5
83.04960	12.0
83.08601	9.2
91.05475	59.4
93.07039	68.8
95.04941	17.4
95.08607	35.3
97.02882	8.0
97.06524	11.4
98.97587	8.7
98.98450	10.1
105.07014	63.7
107.08578	73.7
109.06497	18.3
109.10140	89.2
111.04406	14.7
111.08094	7.6
116.98578	9.5
117.07000	11.0
119.08569	59.2
121.06480	15.3
121.10142	88.9
123.04440	15.5
123.08059	21.6
123.11658	8.9
125.05966	25.5
131.08530	19.1
133.06494	7.1
133.10126	43.7
135.08008	20.8
135.11656	26.1
137.05959	12.9
137.09605	100.0
139.11160	8.5
142.32602	6.9
143.08572	10.5
145.10117	22.5
147.08015	17.2
147.11618	7.3
149.09605	88.6
149.13341	7.3
151.07515	7.4
151.11108	11.5
153.09096	8.8
157.10110	15.4
159.11609	11.2
161.09628	12.5
163.11160	12.2
167.10605	14.7
171.11667	12.6
177.12761	7.1
177.91829	6.6
179.10693	39.5
179.11980	6.7
183.11781	10.2
189.12691	10.6
199.14787	6.6
206.92595	7.8
212.22803	6.5
216.94365	6.4
227.17877	7.1
257.15399	7.3
287.20010	20.4
297.18494	32.7
304.89322	7.4
315.19495	74.8
319.33044	7.1
333.06110	9.0
333.20386	26.3
333.24130	15.5
341.28265	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.0
71.11510	3.0
72.46776	1.0
79.05486	1.6
81.07050	3.8
85.40642	1.0
91.05455	1.8
93.07024	1.7
107.08534	1.1
109.10138	1.8
111.08067	2.0
119.08582	1.5
120.76654	1.2
121.10156	1.7
133.10114	1.2
137.09612	1.5
146.69783	1.1
149.09651	2.4
177.09076	1.2
184.50555	1.0
195.09950	6.1
206.78282	1.0
213.09686	1.4
219.10872	1.3
227.18517	1.1
231.10806	2.2
235.13034	1.6
241.09198	3.3
242.09930	2.5
281.12329	1.1
283.06778	1.1
295.07059	1.2
315.19299	1.5
333.20334	100.0
334.20554	3.0
351.20154	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	333.1903
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.57073	2.0
53.03934	4.9
55.01863	6.0
55.05500	6.0
57.03420	8.5
57.07072	20.8
59.04996	13.0
60.06755	2.0
61.02921	13.7
67.05502	13.2
69.03421	39.1
69.07065	12.8
71.04988	6.2
71.12666	5.1
73.02912	6.1
74.04739	2.1
79.05481	2.8
81.03408	14.5
81.07043	6.2
83.01328	2.5
83.08614	6.4
85.02899	93.1
85.06544	16.7
87.04456	6.0
91.05457	4.1
93.07030	7.6
95.08597	74.5
97.02875	30.8
97.06544	5.6
99.04446	7.5
99.08080	18.1
99.76285	2.1
107.08580	11.9
109.02880	8.8
109.06513	9.5
109.10151	21.6
111.08064	14.7
113.09634	80.8
118.67101	2.5
119.08627	2.0
127.03882	16.5
127.10276	4.0
127.11182	52.5
135.11682	19.9
137.13246	7.3
145.04961	24.2
153.12727	100.0
155.14331	15.0
163.06047	3.4
171.13782	51.3
177.12733	4.9
213.14914	3.3
317.03094	2.5
318.03568	6.2
330.07330	2.7
333.06039	9.3
333.18924	5.8
334.12891	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	333.2032
Annotation	PGB3
Peak:m/z	Relative Intensity
55.05489	0.6
65.61165	0.6
70.33752	2.5
77.00882	0.9
79.05510	0.6
81.07051	0.7
91.05474	1.0
93.07039	0.9
95.01942	0.7
102.72476	0.6
105.07018	0.8
107.08562	0.6
109.10146	1.0
119.08526	0.7
121.10144	1.9
122.42184	0.8
133.10115	0.7
140.51575	0.6
149.09653	1.7
160.16411	0.7
247.12944	2.9
257.12338	0.8
273.99918	0.6
312.43768	0.6
315.19263	7.8
333.20325	100.0
333.53741	0.6
334.20615	1.8
334.24048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.96558	36.4
58.50761	0.4
64.62369	0.6
67.05485	1.1
69.07047	0.6
69.34521	5.2
71.95251	6.2
72.96023	1.4
74.97596	2.4
79.05481	1.8
81.07040	2.1
84.96004	2.1
91.05466	1.6
92.98605	0.5
93.07027	2.0
95.08566	1.2
97.96809	2.2
97.99140	0.8
98.97544	0.7
98.98434	0.9
105.06997	1.8
106.59032	0.5
107.08588	1.2
109.06480	0.5
109.10126	1.5
110.97540	4.8
115.97834	1.7
116.98584	2.6
117.06969	0.8
119.08552	1.8
121.10146	2.4
123.01157	2.4
128.98584	16.2
131.00035	2.3
131.08569	0.9
133.10094	1.8
133.22620	0.6
133.98866	1.9
134.99641	1.4
137.02733	1.3
137.09572	1.2
140.98479	3.0
140.99367	0.6
141.02213	1.0
143.00058	1.8
146.99634	26.2
147.03256	0.8
148.00447	0.6
149.01137	0.7
149.09598	1.1
151.00551	0.6
152.00119	0.5
153.99187	0.7
154.99980	2.0
155.03751	2.7
157.01587	0.7
161.01215	4.0
161.04791	0.7
165.00671	6.8
166.99976	1.3
169.01648	1.4
169.05295	1.2
170.01248	2.6
171.03310	1.3
173.04892	0.8
174.01933	1.0
174.99001	2.1
175.02731	1.2
175.06381	0.6
177.04224	0.6
179.02231	1.5
183.03224	1.0
185.01001	0.9
185.04811	0.9
187.02625	0.6
189.00533	1.9
189.04362	3.4
191.03751	0.6
193.03746	0.9
194.04642	0.6
199.02573	0.9
199.06442	0.6
203.02129	0.9
203.05849	3.0
207.05347	0.6
207.07004	0.6
208.05963	0.5
209.00993	0.8
209.04756	0.6
209.06795	0.6
209.08557	0.7
211.68115	0.6
212.02052	0.7
213.07791	0.7
217.07500	0.8
219.06815	0.6
223.02611	1.0
223.08313	0.9
225.07948	0.9
227.09528	1.9
229.07428	0.6
231.06812	0.7
241.11108	1.5
243.08899	0.9
245.08379	0.9
245.10612	1.3
259.12030	1.2
261.08023	0.7
263.05780	0.8
263.09515	4.0
264.10217	0.9
265.11063	2.0
270.11401	0.6
277.10992	1.4
281.10629	1.3
286.10901	0.5
289.10999	0.6
303.12601	2.4
313.14621	0.6
315.16260	52.8
316.16556	1.9
317.14322	0.6
321.10025	0.6
321.13754	1.5
331.15775	3.1
332.65564	0.5
333.17313	100.0
334.17648	3.6
349.16821	0.8
351.18384	22.8
354.17615	0.7
356.18924	18.6
357.19250	1.2
358.19861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.2
51.02388	0.6
53.03942	0.5
55.05508	0.3
67.05492	0.3
69.03428	0.2
69.07098	0.4
69.55862	1.4
77.03940	0.3
79.01852	3.5
79.05488	0.4
81.03368	0.3
81.07032	0.5
91.05478	0.5
93.07038	0.9
95.04961	0.9
95.08618	0.4
97.02896	0.9
98.20770	0.4
98.98439	0.2
102.04672	0.3
103.05462	59.6
104.05804	1.1
105.07018	0.9
107.01315	0.8
107.04949	0.3
107.08588	0.8
109.06441	0.3
109.10142	0.5
119.08575	0.7
121.06504	0.2
121.10137	1.9
125.02347	3.1
131.04919	100.0
132.05226	1.9
133.10107	0.7
137.05968	0.4
143.03392	6.7
145.10117	0.3
149.09647	1.2
151.11157	0.2
153.01820	68.3
153.02780	2.8
154.02168	0.9
163.07532	33.3
164.07899	0.7
171.02922	0.3
171.11823	0.2
175.14830	0.3
179.10661	0.3
185.02446	0.2
190.03236	1.2
255.11179	0.3
318.03632	0.3
333.06064	0.6
333.09644	8.2
333.13205	0.4
333.20526	0.5
333.24234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1153
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
53.14697	0.4
70.98000	0.6
70.98321	0.9
82.86481	0.5
85.02880	0.8
108.08102	2.9
109.08442	2.0
122.52693	0.5
124.07576	0.8
125.07936	0.8
131.15942	0.5
135.06293	0.7
137.07945	0.6
152.07034	2.4
153.07347	1.7
171.06274	4.1
185.04187	0.9
238.15614	0.5
315.10223	1.7
333.11487	100.0
334.11880	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	333.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47596	0.4
53.00295	1.8
56.96527	0.5
66.79166	0.4
66.86353	0.4
71.46125	0.6
77.03940	0.6
80.80519	0.4
98.98429	0.5
105.03378	1.7
106.04156	0.4
109.02866	0.4
131.04829	0.4
133.02826	2.9
145.02805	0.7
147.04366	0.5
161.02324	6.0
162.03123	0.7
163.03882	0.8
171.09889	2.6
178.02469	0.4
179.03374	0.9
186.05481	0.6
189.01817	9.9
190.02609	1.2
191.03381	3.0
205.01460	0.5
207.02892	1.0
215.03400	0.5
217.01309	11.6
218.02011	2.3
219.02831	0.7
221.04469	1.8
234.01575	2.0
235.02348	3.1
245.00829	7.9
246.01364	0.9
249.03931	12.9
250.04251	0.7
257.01022	0.5
261.03937	1.0
263.01834	1.5
273.00278	10.7
274.00894	1.7
277.03369	3.0
289.03415	0.8
291.01254	2.4
300.99750	12.9
301.03159	0.8
302.00327	0.9
305.02753	2.2
312.92633	0.4
319.00803	0.7
323.03839	0.4
333.02399	8.3
333.15158	100.0
334.02771	0.8
334.15524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0603
Annotation	Nidifocene
Peak:m/z	Relative Intensity
55.01875	0.3
57.64767	0.2
68.99800	0.4
70.38091	1.1
78.01060	0.4
81.03407	0.3
98.03672	0.2
98.20817	0.3
105.47834	0.2
108.02110	0.4
109.02889	0.9
110.03613	0.3
115.05352	0.2
119.08459	0.3
121.10201	0.3
126.03130	2.4
128.77946	0.2
136.01561	0.4
137.02328	1.3
138.03133	0.6
149.09668	0.3
152.01071	0.3
153.01819	10.3
160.05174	0.5
165.01894	0.4
166.02628	2.0
170.02190	0.5
177.05400	0.3
178.02644	0.4
179.03363	0.4
183.02925	0.3
187.03889	0.4
188.04657	0.7
191.03459	0.6
192.04295	0.3
193.01408	0.5
200.13962	0.2
202.02599	0.5
203.03394	0.5
205.04948	1.1
206.05782	0.6
208.03696	0.9
210.01646	0.3
215.03397	0.3
216.04153	2.9
217.04932	0.6
219.02866	4.1
219.04851	0.4
220.03622	1.5
220.05449	0.2
227.03381	0.5
230.02113	0.8
231.02972	0.3
233.04428	1.5
234.05161	0.5
243.02908	1.1
244.03653	7.2
244.06197	0.4
245.04454	3.8
247.02441	0.6
255.02679	0.4
261.03915	3.0
262.04596	0.3
272.03156	1.9
273.03934	3.0
274.04117	0.2
276.86508	0.3
289.03357	2.0
290.04181	6.0
300.02695	0.3
301.03406	9.2
302.03824	0.3
316.99142	0.6
317.02905	14.3
318.03683	68.1
319.04001	1.9
333.06021	100.0
334.06445	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	333.0592
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
53.21381	0.1
55.01868	0.2
64.30877	0.1
66.01062	0.3
67.01870	0.1
68.02637	0.1
68.99773	0.5
69.03422	0.1
69.55456	0.2
69.55871	0.3
71.01351	0.1
78.01070	0.3
79.01839	0.2
79.05495	0.1
80.02634	0.2
81.03403	0.3
82.04204	0.2
83.01311	0.1
84.02075	0.1
92.02606	0.1
95.01310	0.1
95.08582	0.1
97.02879	0.1
98.03659	0.1
107.04930	0.1
107.08554	0.1
108.02085	0.9
109.02871	1.0
110.03630	0.2
111.00779	0.2
111.04432	0.1
120.02064	0.1
121.02840	0.2
123.04420	0.1
124.01542	0.3
125.02333	0.2
126.03126	2.6
127.03934	0.1
128.52446	0.1
131.04900	0.1
132.05695	0.2
133.06441	0.1
136.01529	0.5
137.02328	1.3
138.03122	0.7
139.03929	0.1
143.03381	0.2
146.03635	0.1
147.04407	0.2
150.03081	0.1
151.03870	0.1
152.01068	0.4
153.01813	10.8
154.02393	0.1
160.05157	0.3
161.05980	0.1
163.03923	0.3
164.01044	0.1
164.04681	0.1
165.01839	0.4
166.02609	1.9
167.03310	0.1
170.02101	0.6
170.03522	0.1
171.02950	0.1
171.04413	0.2
174.03099	0.2
175.03879	0.2
177.05463	0.3
178.02588	0.2
179.03389	0.6
180.04208	0.1
183.02861	0.2
187.03876	0.3
188.04689	1.2
189.05403	0.3
191.03375	0.6
192.04135	0.4
193.01283	0.7
193.05013	0.2
194.02063	0.1
195.02803	0.1
199.03912	0.1
202.02594	0.5
203.03378	0.5
204.04108	0.1
205.04944	1.3
206.02092	0.1
206.05699	0.7
207.02797	0.1
208.03632	1.3
210.01573	0.4
215.03354	0.5
216.04160	3.4
217.04918	1.0
219.02869	5.0
220.03648	1.0
221.04344	0.2
227.03510	0.3
228.04152	0.1
229.04881	0.1
230.02106	0.9
231.02954	0.6
231.06505	0.2
232.03680	0.1
233.04422	1.6
234.01578	0.3
234.05183	0.8
237.15852	0.1
237.18382	0.1
241.04939	0.1
243.02866	1.4
243.06525	0.1
244.03647	7.1
245.04424	4.9
246.04761	0.2
247.02397	0.5
249.03853	0.1
255.02800	0.5
257.04477	0.1
259.02313	0.2
259.06049	0.5
261.03922	3.1
262.04648	0.4
271.02350	0.2
272.03143	1.9
273.03909	2.8
274.04630	0.1
283.02216	0.2
287.05502	0.9
289.03403	2.9
290.04181	6.0
291.04498	0.1
300.02484	0.4
301.03403	9.8
302.03787	0.2
305.06552	0.3
315.04926	0.1
317.02902	14.8
318.03665	67.6
319.04007	1.3
333.06003	100.0
334.06351	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.6
57.03417	4.2
57.07070	59.5
67.05212	1.2
67.05499	12.4
69.07064	9.0
70.06584	11.4
70.72694	3.5
71.06915	2.0
71.08625	37.1
75.04470	2.2
81.07047	19.1
83.08613	13.5
85.10172	22.4
88.07623	10.9
89.05976	1.7
89.07941	3.4
95.08600	31.1
95.98682	1.1
97.10166	6.9
98.20899	1.3
98.98430	7.6
99.11749	1.3
102.09158	2.3
106.08664	8.6
107.08997	1.5
109.09585	1.1
109.10163	12.7
111.11726	1.9
115.51241	1.2
123.11688	7.0
125.13256	1.9
137.13242	3.8
151.14761	1.5
199.57169	1.2
224.62193	1.2
232.68655	1.3
239.23676	9.9
248.22638	1.2
257.24808	3.7
265.12048	1.3
313.27362	32.0
313.32770	7.6
331.33969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.85171	0.3
53.03930	0.9
55.01851	0.4
57.03428	1.5
61.02906	2.2
65.03927	1.0
67.05494	2.7
69.03416	5.5
69.80226	0.3
71.04964	0.3
71.58216	0.5
73.02917	2.0
79.05471	1.3
81.03397	1.7
81.07019	0.7
84.33298	0.4
85.02891	6.4
87.04472	1.6
91.03905	0.5
92.04986	0.6
93.05775	1.0
96.08118	0.8
97.02877	3.0
99.04437	1.0
101.02370	0.3
106.06541	4.7
107.07362	0.4
108.08102	100.0
109.02870	0.8
109.08443	0.8
123.06795	4.4
124.07578	16.6
126.29633	0.3
127.03909	0.9
133.34984	0.3
134.05998	11.7
136.07559	15.4
137.08292	0.6
145.05006	0.4
150.05464	0.5
152.07043	71.5
153.07384	0.8
154.08566	2.1
160.13264	0.4
170.08095	12.0
173.13960	0.6
314.12286	48.7
315.12628	0.5
322.48196	0.3
332.13348	66.8
333.11215	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0591
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
53.24004	0.1
57.62434	0.2
59.01035	0.1
66.01064	0.3
68.99777	0.6
69.78440	0.2
69.78851	0.8
78.01069	0.2
79.01847	0.2
81.03394	0.2
81.86446	0.2
82.04224	0.2
84.08105	0.1
91.05427	0.1
93.07034	0.2
98.98465	0.2
100.18171	0.1
105.06992	0.1
108.02084	0.7
109.02863	1.3
110.03613	0.3
111.00699	0.2
124.01530	0.3
125.02383	0.2
126.03120	2.7
127.03929	0.2
136.01529	0.5
137.02335	1.2
137.05986	0.5
138.03102	0.5
139.03830	0.2
143.03357	0.2
147.04410	0.2
152.01031	0.3
153.01804	10.8
160.05200	0.4
163.03796	0.3
165.01846	0.5
166.02563	2.0
167.07030	0.3
170.02101	0.6
175.03786	0.1
177.05508	0.3
178.02568	0.4
179.03372	0.6
187.03909	0.3
188.04672	1.0
189.05356	0.2
191.03377	0.4
192.04173	0.4
193.01273	0.8
195.02805	0.2
199.03882	0.2
200.04771	0.2
202.02580	0.5
203.03293	0.4
205.04953	1.3
206.05707	0.6
207.02834	0.2
208.03661	1.3
210.01474	0.2
215.03389	0.5
216.04144	3.4
217.04942	1.1
219.02855	4.9
220.03522	0.8
221.04364	0.3
227.03415	0.2
229.04861	0.3
230.02061	0.6
231.02866	0.6
231.06522	0.2
233.04425	1.8
234.01515	0.2
234.05090	0.8
241.04980	0.2
243.02802	1.3
244.03641	6.9
245.04408	4.6
247.02441	0.7
255.02846	0.6
259.02386	0.1
259.05960	0.4
261.03897	3.3
262.04617	0.5
271.02277	0.3
272.03131	2.3
273.03879	2.7
283.02289	0.2
287.05371	0.9
289.03394	2.6
290.04153	6.4
291.04443	0.2
300.02643	0.4
301.03391	9.7
305.06598	0.4
315.04895	0.3
317.02869	14.7
318.03647	69.5
319.03949	1.3
333.05984	100.0
334.06351	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70290	1.6
55.05503	8.9
55.39027	1.4
56.96566	1.8
57.03415	6.8
57.07072	76.6
60.22278	1.8
67.05496	18.3
69.07059	12.8
70.06601	7.5
71.06916	3.7
71.08627	56.9
75.04473	2.6
81.07050	25.6
83.08615	18.0
85.10184	27.6
88.07612	13.3
89.07932	3.6
91.05463	2.6
93.06995	2.3
95.08599	37.3
97.10152	8.5
98.20612	2.7
98.98456	22.4
99.11726	1.7
102.09164	2.6
105.07012	2.5
106.08652	8.8
109.10153	17.9
110.94659	1.6
111.11736	1.8
123.11684	9.1
137.13264	4.2
165.09113	2.4
215.90797	1.6
239.23636	14.3
257.24677	3.9
313.27338	41.5
313.32956	7.4
320.78482	1.7
331.15738	2.7
331.33972	100.0
349.16821	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	331.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01853	2.0
55.05490	4.3
56.96564	14.9
58.40682	1.3
65.03948	1.6
67.05499	13.0
69.03403	3.4
69.07050	4.1
70.72743	2.4
70.73115	2.3
71.04970	2.1
77.08940	1.0
79.05132	1.3
79.05492	16.3
81.03400	3.3
81.07047	21.4
83.04956	3.6
91.04954	2.0
91.05476	25.4
92.50812	1.2
93.07042	23.1
95.04961	6.7
95.08603	7.0
97.02872	1.8
97.06527	1.5
98.97533	2.4
98.98462	25.8
103.05447	1.6
105.04565	1.4
105.06369	2.1
105.07024	24.6
107.04939	3.3
107.08585	21.8
108.08125	1.1
108.08917	1.7
109.02851	1.2
109.06495	4.7
109.10122	8.2
110.60224	1.1
111.04413	1.7
111.07977	1.2
116.98581	2.5
117.07008	3.3
119.04905	2.3
119.08560	11.2
121.06467	4.5
121.10114	5.8
122.07302	2.2
123.04468	1.2
123.08035	3.7
123.11671	3.5
125.05920	1.5
127.03841	1.4
128.06216	1.7
129.07001	1.1
131.08556	4.9
133.06493	14.6
133.10115	23.6
134.99649	1.6
135.08046	7.4
135.11670	3.9
137.05940	4.7
137.09613	23.0
143.08604	3.0
145.10109	2.4
147.08035	2.3
147.11691	2.7
149.09581	4.8
151.07492	3.6
151.11192	3.0
153.09091	6.7
157.06505	1.2
157.10104	1.8
158.86801	1.1
158.99602	1.3
159.08003	1.4
159.11687	1.7
161.09631	6.1
163.07509	2.7
165.09103	100.0
171.11674	1.9
174.99133	1.3
176.98978	2.0
179.10675	4.1
189.09033	1.2
189.12665	1.8
191.14209	1.3
209.05582	2.4
215.05782	1.4
219.12065	2.9
227.07201	1.5
227.09340	1.9
227.12125	1.7
228.12640	10.9
228.62929	1.4
236.12469	1.5
237.07875	1.3
237.13223	13.4
237.63290	2.8
239.63451	2.4
247.10048	1.8
248.64029	2.8
257.11508	1.7
263.09378	1.5
265.10913	6.6
270.08490	1.4
271.09534	2.2
281.10782	1.8
282.57782	1.4
283.12170	9.4
285.18454	2.0
285.21991	1.6
313.17810	3.8
313.21460	1.8
316.08920	4.5
322.18701	6.5
331.08118	1.8
331.11560	7.3
331.19083	21.9
331.22702	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2628
Annotation	(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid
Peak:m/z	Relative Intensity
53.03929	0.9
55.01865	1.1
55.05506	1.7
56.35464	0.5
56.96563	1.0
57.07072	0.8
60.87711	0.5
65.03931	2.0
65.43813	0.5
67.05504	4.6
69.03412	0.7
69.07046	3.2
71.08649	0.5
71.20910	1.1
79.05488	8.8
81.07045	13.5
83.04971	7.2
88.93353	0.5
90.71668	0.4
91.05469	100.0
92.05799	2.8
93.07021	6.3
95.04939	1.5
95.08599	10.0
97.06519	89.6
97.10139	1.1
98.06860	1.0
98.98453	10.8
105.07015	5.6
106.06532	4.4
107.04975	0.7
107.08585	5.7
108.71321	0.6
109.06503	94.2
109.10152	5.5
110.06834	1.1
111.08059	1.3
116.98551	0.6
116.99493	0.7
117.07053	1.1
119.08540	4.8
120.08095	2.4
121.06539	1.4
121.10125	3.8
123.08045	9.3
123.11691	2.4
127.60508	0.5
129.06995	0.8
131.08554	2.6
133.10126	3.1
134.99640	0.7
135.11690	3.6
137.09627	0.9
137.13271	1.1
137.44342	0.5
139.11191	0.8
143.08539	1.5
145.10124	3.6
147.11665	3.4
149.09616	1.1
149.13246	2.1
151.11214	0.7
157.10077	1.3
159.11700	3.7
161.13246	2.0
163.11137	1.4
163.14789	1.6
166.07771	1.4
169.10164	0.8
171.11786	1.3
173.13260	2.4
175.14722	1.0
176.98978	0.8
177.12756	1.7
179.03432	0.5
181.10052	3.6
185.13264	1.7
187.14835	1.7
189.12743	0.6
189.16492	0.7
191.14296	0.6
197.13229	1.0
198.12730	9.0
199.13112	0.6
199.14792	1.7
201.16315	1.5
203.18060	1.1
210.85690	0.5
211.89919	0.6
213.16362	1.6
217.15752	0.9
217.19398	0.9
222.19701	0.5
225.16367	0.9
227.18102	0.6
228.02609	0.5
229.15805	0.7
233.38892	0.5
239.17897	0.9
251.12706	0.6
251.15358	0.5
253.19504	0.7
255.21092	3.1
271.17889	0.6
271.20633	1.6
273.22266	0.8
283.24014	1.1
295.24167	4.7
301.25211	1.5
313.25211	6.3
331.18112	14.5
331.26270	54.7
332.15176	0.7
332.18695	0.8
332.26651	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01853	2.0
55.05490	4.3
56.96564	14.9
58.40682	1.3
65.03948	1.6
67.05499	13.0
69.03403	3.4
69.07050	4.1
70.72743	2.4
70.73115	2.3
71.04970	2.1
77.08940	1.0
79.05132	1.3
79.05492	16.3
81.03400	3.3
81.07047	21.4
83.04956	3.6
91.04954	2.0
91.05476	25.4
92.50812	1.2
93.07042	23.1
95.04961	6.7
95.08603	7.0
97.02872	1.8
97.06527	1.5
98.97533	2.4
98.98462	25.8
103.05447	1.6
105.04565	1.4
105.06369	2.1
105.07024	24.6
107.04939	3.3
107.08585	21.8
108.08125	1.1
108.08917	1.7
109.02851	1.2
109.06495	4.7
109.10122	8.2
110.60224	1.1
111.04413	1.7
111.07977	1.2
116.98581	2.5
117.07008	3.3
119.04905	2.3
119.08560	11.2
121.06467	4.5
121.10114	5.8
122.07302	2.2
123.04468	1.2
123.08035	3.7
123.11671	3.5
125.05920	1.5
127.03841	1.4
128.06216	1.7
129.07001	1.1
131.08556	4.9
133.06493	14.6
133.10115	23.6
134.99649	1.6
135.08046	7.4
135.11670	3.9
137.05940	4.7
137.09613	23.0
143.08604	3.0
145.10109	2.4
147.08035	2.3
147.11691	2.7
149.09581	4.8
151.07492	3.6
151.11192	3.0
153.09091	6.7
157.06505	1.2
157.10104	1.8
158.86801	1.1
158.99602	1.3
159.08003	1.4
159.11687	1.7
161.09631	6.1
163.07509	2.7
165.09103	100.0
171.11674	1.9
174.99133	1.3
176.98978	2.0
179.10675	4.1
189.09033	1.2
189.12665	1.8
191.14209	1.3
209.05582	2.4
215.05782	1.4
219.12065	2.9
227.07201	1.5
227.09340	1.9
227.12125	1.7
228.12640	10.9
228.62929	1.4
236.12469	1.5
237.07875	1.3
237.13223	13.4
237.63290	2.8
239.63451	2.4
247.10048	1.8
248.64029	2.8
257.11508	1.7
263.09378	1.5
265.10913	6.6
270.08490	1.4
271.09534	2.2
281.10782	1.8
282.57782	1.4
283.12170	9.4
285.18454	2.0
285.21991	1.6
313.17810	3.8
313.21460	1.8
316.08920	4.5
322.18701	6.5
331.08118	1.8
331.11560	7.3
331.19083	21.9
331.22702	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01868	1.0
55.05502	3.5
57.03436	0.5
57.07063	0.7
65.03926	1.0
67.05495	6.5
68.99780	0.8
69.03420	1.7
69.07063	5.2
69.37562	0.7
69.37896	4.9
77.03878	0.6
79.05483	13.5
81.03401	0.9
81.07048	10.9
83.04943	0.9
83.08607	2.6
85.02883	0.7
91.05470	24.4
93.03386	0.8
93.07031	30.6
95.01319	1.0
95.04950	4.7
95.08588	5.6
97.02872	3.4
97.06512	1.1
98.97543	0.5
98.98460	5.7
103.05441	3.3
105.04465	0.6
105.07020	25.1
107.04942	2.7
107.08579	15.2
108.09376	0.6
109.06508	4.2
109.10147	17.0
111.04429	2.0
111.08054	0.7
115.05452	1.8
116.06219	1.9
116.51125	0.4
117.07003	5.5
119.04932	3.8
119.08572	13.8
121.06513	4.0
121.10130	100.0
122.03632	1.5
122.07269	1.0
122.10479	2.0
123.04395	1.1
123.08063	4.2
123.11683	3.7
125.05945	1.2
125.09563	0.6
127.03920	1.3
128.06200	1.7
129.06985	5.3
131.04942	1.9
131.08553	13.5
133.06480	2.2
133.07434	0.6
133.10114	10.9
135.04384	0.9
135.08032	11.3
135.11685	2.9
136.05051	0.5
136.08820	2.2
137.05965	15.8
137.09592	9.9
141.06972	1.1
142.07747	1.0
143.08511	2.1
145.06474	2.5
145.10077	4.6
147.04402	0.7
147.08020	4.2
147.11646	3.6
149.05975	3.2
149.09602	52.0
150.10373	3.0
151.07527	17.7
151.11160	1.7
152.06197	1.1
153.01842	1.1
153.06914	0.7
153.09032	0.7
155.08540	1.6
156.09395	0.9
157.06512	2.6
157.10066	2.9
159.08023	3.6
159.11665	2.9
161.05939	4.0
161.09570	2.4
161.13205	2.9
163.03920	1.3
163.07526	7.3
163.11147	1.1
165.06947	2.4
165.09077	2.8
166.07645	0.6
167.07033	3.4
167.08548	3.1
168.09285	0.6
169.06447	0.7
169.10121	1.5
170.10922	1.2
171.08051	0.5
171.11697	2.4
172.12379	0.7
173.09607	0.7
173.13216	2.5
174.06793	1.2
175.07578	1.8
175.11218	1.7
175.14815	6.4
176.99043	0.6
177.05446	0.6
177.09073	5.3
177.16377	6.2
178.07668	1.1
179.06998	1.5
179.08498	1.1
179.10657	1.0
181.06538	1.0
181.08586	0.6
181.10080	1.0
183.11670	2.1
185.13307	2.4
187.07585	0.6
187.11165	0.7
187.14813	2.3
189.09081	6.8
189.12712	2.6
190.13487	0.6
191.03397	1.6
193.06519	1.2
193.08516	0.5
193.10065	1.1
195.02846	0.5
195.08028	4.1
195.11667	0.7
196.05193	0.5
197.05946	1.0
197.09537	0.8
197.13255	0.6
199.11189	0.9
199.14691	0.8
203.08601	0.7
203.10603	0.6
203.14323	1.0
207.10080	1.2
209.05870	0.7
209.09573	0.6
209.13194	0.9
210.06750	1.7
210.14075	0.6
211.07426	0.8
211.11133	1.2
212.08292	0.9
213.09167	0.5
215.10728	1.0
219.02823	4.8
221.05968	1.7
221.09595	2.1
223.07541	2.0
224.08284	1.0
225.09058	2.1
225.12683	0.6
225.16360	1.4
227.10614	5.3
229.12288	1.3
235.14845	0.5
235.93518	0.5
238.06267	1.1
239.06964	0.7
239.17941	1.7
241.08545	0.6
249.09090	1.1
249.16328	0.9
253.08452	2.3
253.12209	3.4
253.15843	1.4
255.10109	5.1
267.10074	0.9
267.17426	2.5
269.11914	0.5
272.10556	0.9
281.11679	1.3
285.11136	4.0
285.18451	4.0
287.12738	6.8
295.16885	2.3
303.19547	5.3
313.14273	2.1
313.17966	5.3
331.01013	0.9
331.04468	7.1
331.11768	1.4
331.15314	1.4
331.19034	9.5
331.22647	0.6
332.04724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56170	1.2
55.01857	2.5
55.05500	3.0
56.96547	4.0
57.07062	4.9
57.14984	1.5
67.05496	8.4
68.12011	1.3
69.03418	3.0
69.07055	7.2
70.01660	5.1
70.02079	2.3
73.95724	1.3
79.05471	3.8
81.03399	15.2
81.07051	7.3
83.04967	4.8
85.02911	1.8
85.06519	2.1
91.05470	7.4
92.87895	1.4
93.07034	7.2
95.01334	1.6
95.04922	5.3
95.08611	7.3
97.06509	26.5
97.70589	1.3
98.20811	1.7
98.97565	1.8
98.97695	1.9
98.98454	33.1
105.07007	11.1
107.08568	7.9
109.02853	9.0
109.06506	3.5
109.10116	4.3
115.42663	1.3
116.98603	2.7
116.99410	2.6
117.06992	5.1
119.04902	1.5
119.08582	10.4
121.06503	3.7
121.10100	7.5
123.08084	3.0
125.06006	3.1
129.06999	2.5
131.07623	1.6
131.08551	10.1
133.06467	10.3
133.10104	5.1
134.99649	1.5
135.08051	9.9
135.11711	2.5
137.05934	2.5
137.09607	4.1
141.33755	1.6
142.07710	1.8
143.08510	4.5
144.12741	1.6
145.06464	2.0
145.10078	18.2
147.08022	4.6
147.11664	4.4
149.09657	7.0
151.07507	3.0
153.01790	2.2
153.09100	1.8
156.09303	2.2
157.10066	4.6
159.08029	2.5
159.11688	7.1
161.09573	4.2
161.13228	3.2
165.09062	3.1
169.04942	1.3
169.09941	1.3
171.11650	2.3
173.13109	2.0
175.07526	100.0
175.14911	2.4
176.07829	3.4
176.98898	2.1
177.09056	3.3
183.11690	2.1
185.13264	4.0
187.11209	2.4
187.14812	18.9
189.12785	5.5
197.13293	1.9
203.14200	13.7
205.15860	4.2
207.13776	1.4
213.12712	3.7
226.44408	1.4
231.13802	10.4
239.17946	2.0
313.17935	4.5
313.21255	3.4
331.11737	1.5
331.15527	3.2
331.18973	2.4
331.22672	14.7
331.26245	2.0
338.83832	1.5
349.16925	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	331.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05502	2.0
56.96557	6.1
57.07056	4.8
58.15938	1.5
67.05496	4.4
69.07045	5.3
70.85077	3.7
74.88042	1.7
79.05492	5.2
81.03403	15.2
81.07015	2.6
91.05478	8.9
93.07021	4.6
95.04951	5.7
95.08602	4.1
97.06519	2.3
98.98450	27.0
105.07031	6.6
107.08591	7.1
109.02869	7.0
109.06503	2.4
109.10136	2.2
117.06969	2.9
119.08546	8.8
121.10140	3.7
127.03896	3.4
129.07011	2.9
131.08566	6.3
133.06473	8.5
133.10107	3.1
135.08052	6.5
137.06001	8.6
137.06984	2.6
137.09595	4.0
142.65009	1.6
143.08546	2.0
145.10097	9.8
147.08061	3.7
147.11690	1.9
149.09587	6.7
151.07607	1.7
161.09624	3.7
165.09117	4.5
171.11774	2.2
175.07536	100.0
175.14598	2.3
176.07806	4.0
179.47470	1.8
187.14784	12.6
189.12764	7.3
203.14304	11.2
205.15923	3.1
213.12679	3.5
231.13708	9.8
244.03365	2.0
249.14842	3.3
295.16940	2.4
331.15839	7.0
349.16858	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	331.1877
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.32718	0.5
51.99628	0.6
55.05505	1.0
56.96550	1.3
57.07087	0.7
60.38669	0.6
67.05502	0.7
69.03413	0.9
69.07061	0.9
69.86691	3.6
79.05485	1.4
81.03417	1.4
81.07049	1.7
83.04967	0.8
91.05478	1.6
93.07040	1.9
94.95885	0.6
95.01295	1.1
95.04925	0.9
95.08617	1.4
97.02882	0.9
98.98450	11.9
105.07024	2.5
107.08577	1.5
109.10161	1.5
116.98628	1.0
116.99480	0.9
119.08561	2.0
121.06479	0.6
121.10151	1.4
125.02300	0.7
127.03848	1.0
131.08588	1.1
133.10100	1.4
134.99701	0.9
135.08090	0.6
137.09579	0.9
145.10149	1.4
149.09628	1.1
159.11656	0.8
163.07532	0.9
173.13173	1.1
176.98904	1.0
189.12790	0.7
193.08521	0.6
195.10069	1.4
213.09680	1.0
231.10738	1.9
284.91370	1.0
313.17670	2.2
331.18774	100.0
332.19272	3.1
349.17062	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	331.19
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
53.03942	6.2
55.01859	9.4
55.05492	5.0
58.02794	2.4
63.21799	2.5
67.05500	28.6
69.03416	8.7
69.07055	9.3
70.78110	7.9
79.05489	24.1
81.03409	66.6
81.07045	19.2
83.04968	27.6
83.08611	2.5
84.60325	2.2
85.06496	2.6
91.05478	28.0
93.07030	42.6
95.04960	43.0
95.08602	23.1
97.06525	9.6
98.98464	17.9
105.07016	40.8
107.04957	4.4
107.08595	45.3
109.02882	15.0
109.06513	22.5
109.10127	20.2
111.08047	6.8
115.05444	4.8
116.98667	2.9
117.06993	25.1
119.08577	33.5
121.06483	15.0
121.10139	66.1
123.04385	2.7
123.08039	15.7
123.11620	3.6
125.09599	3.7
129.07028	4.4
131.08557	10.6
133.06474	5.7
133.10118	21.0
135.08032	51.2
135.11676	10.1
137.09610	29.4
139.11171	22.1
141.09048	3.2
142.07753	3.0
143.08528	7.0
145.06487	10.8
145.10077	18.6
147.08051	16.9
147.11656	11.5
149.01260	2.3
149.05975	5.3
149.09599	49.7
149.13223	3.6
153.09116	3.4
157.10107	4.2
159.08041	6.2
159.11682	8.5
161.09610	8.2
161.13245	9.9
163.07544	41.0
163.11159	5.7
165.09090	30.4
167.10654	100.0
170.10966	4.0
171.11697	6.0
173.09689	4.0
175.07539	29.7
175.11195	7.6
175.14772	17.6
177.09090	9.0
177.12720	4.0
177.16396	5.5
185.13240	7.8
187.14842	8.8
189.12724	21.6
193.08636	3.9
203.10519	2.6
203.14261	19.3
204.14662	2.4
205.15878	22.1
211.11301	2.8
213.12718	14.9
221.15381	3.3
231.13766	28.7
249.14841	7.7
267.15796	26.7
313.17996	3.7
331.19049	5.3
333.24326	2.5
349.16882	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30127	0.3
56.96557	17.0
69.07050	0.3
69.64209	0.2
70.41248	1.2
71.95250	1.9
74.97606	0.8
74.98661	0.3
79.05449	0.3
80.24887	0.3
81.07032	0.4
84.95995	0.5
87.04443	0.3
91.05476	0.3
93.07049	0.3
95.08603	0.5
97.96813	0.4
98.97590	1.0
98.98456	6.4
105.06997	0.4
110.97551	1.4
116.98602	1.2
116.99407	0.5
123.01176	0.6
128.98587	3.8
131.00146	0.8
134.99673	1.0
137.02722	0.6
139.00598	0.3
141.02179	0.5
143.00085	0.5
146.99637	6.3
149.01173	1.4
153.02232	0.8
155.03758	1.5
157.01723	1.0
159.03317	0.3
161.01282	1.5
163.02841	0.5
165.00761	2.0
167.02304	0.4
167.03694	0.7
169.01732	1.1
169.05312	0.4
170.01227	0.3
171.03271	2.8
173.04892	0.4
174.99283	0.4
175.02762	0.7
176.98854	1.0
177.04347	0.4
179.02287	0.7
181.05318	0.4
183.03304	1.0
185.04843	4.2
187.02788	0.6
189.04367	2.5
191.05917	0.5
193.03836	0.5
195.03104	0.4
195.06914	0.6
197.04887	0.8
198.02003	0.3
199.06375	4.6
201.04283	0.6
203.03955	0.5
203.05875	7.2
205.07492	0.9
207.06992	0.3
208.06378	0.4
209.05048	0.4
209.06918	0.5
211.06467	1.2
212.03584	0.5
213.07939	0.6
215.05867	0.4
217.07455	10.7
219.03206	0.7
221.06956	0.9
222.07924	0.8
223.02747	2.0
223.06378	0.7
223.08536	1.4
224.03589	0.7
225.04268	0.4
225.07936	0.7
226.05070	2.2
226.07446	0.8
227.09544	0.4
229.07478	0.5
231.06863	1.0
231.08896	0.6
235.08318	0.4
237.04355	4.7
237.08000	0.5
238.05095	0.4
239.09521	1.1
240.09088	0.8
241.03755	0.5
241.07481	0.6
243.08980	0.6
244.06160	0.8
245.10568	0.6
249.08080	0.7
251.05849	0.9
251.09445	0.5
252.06589	0.6
253.11105	1.2
255.05331	1.8
255.08899	0.7
257.10526	0.6
259.12143	0.4
260.05951	0.5
262.08713	1.1
265.07358	0.5
265.10995	0.5
267.09021	3.0
267.11743	0.4
271.12125	0.9
277.11029	0.6
279.08908	0.8
280.09808	3.8
281.10544	0.8
285.10028	1.5
289.14658	0.8
290.10547	0.4
293.10849	0.5
297.10065	1.1
298.10858	1.7
299.11548	0.7
303.11337	0.5
305.14053	0.5
307.15741	3.1
308.32428	0.3
313.14734	0.7
325.16821	0.9
331.15668	18.5
343.93307	0.3
347.15244	0.4
349.16815	100.0
350.17221	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	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.01624	1.0
53.03940	1.5
55.01863	1.4
63.11792	1.0
63.98726	1.2
65.03930	1.7
69.50574	1.2
70.62359	2.2
79.05482	4.2
81.07050	3.0
91.05473	35.5
93.07058	1.4
94.04165	2.3
95.04945	7.4
96.15134	1.0
98.98489	1.9
103.05458	6.4
105.07051	6.6
107.04958	10.3
109.06509	5.2
111.04420	1.7
115.05465	2.3
117.03414	1.1
117.07012	1.8
119.04932	21.3
121.06464	7.9
122.03659	9.1
123.04469	1.2
123.08030	1.7
128.06213	5.0
129.07004	17.6
131.04916	5.6
131.08577	2.0
133.06477	3.6
135.08031	7.4
136.05200	4.4
137.05965	91.7
141.07002	2.0
143.04968	1.8
145.06456	5.9
146.03633	2.9
146.07352	1.3
147.04390	2.5
147.08002	1.6
149.05971	14.1
151.03874	3.7
151.07530	100.0
152.06197	5.0
153.06976	2.4
157.06482	13.0
161.05974	13.5
161.09595	3.9
163.03915	1.3
163.07529	23.9
165.06973	15.5
165.09055	6.8
166.07764	3.7
167.08545	18.9
169.06441	3.9
174.06773	7.2
175.07527	6.5
177.07005	2.1
177.09100	1.6
178.07713	9.5
179.08498	3.2
181.06456	5.1
181.10168	1.7
182.07343	5.6
183.07924	1.6
184.08881	1.9
189.09096	32.1
191.08566	1.6
192.09344	3.0
193.06488	7.2
193.10106	8.2
194.07227	3.8
195.08026	28.2
196.08720	3.5
197.05962	6.7
197.09619	3.0
202.07771	2.5
203.08517	2.7
205.06395	2.5
206.07237	1.6
207.08133	2.2
207.10165	6.2
209.05930	3.2
209.09540	3.7
210.06734	12.8
211.07553	4.8
212.08243	5.5
213.09171	1.5
220.08842	2.2
221.06015	11.9
221.09558	13.7
222.06786	1.2
223.07510	13.8
224.08313	4.2
225.05518	2.1
225.09094	13.2
227.07091	2.7
227.10652	33.9
234.06624	1.2
235.11163	1.6
237.05542	1.2
237.09132	3.0
238.06168	5.9
238.09920	2.7
239.07030	3.0
239.10818	2.2
240.07761	4.5
241.08611	1.8
241.12132	1.7
249.09091	7.2
252.07745	2.5
253.08582	16.9
253.12236	17.5
255.06480	2.0
255.10150	31.3
266.09338	2.0
267.10172	5.9
269.05615	1.4
269.08105	6.0
269.11740	2.0
270.08838	1.6
272.10413	5.0
281.11612	7.2
284.10519	2.2
285.11172	23.7
287.12750	42.8
298.12003	2.2
299.12833	1.4
301.14334	2.7
313.14249	12.0
331.15375	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	331.1535
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.18329	1.2
63.55772	1.2
65.03899	1.5
69.88145	3.7
69.88552	3.8
70.60477	1.3
79.05486	3.2
81.07038	2.1
91.05466	29.1
91.06002	1.9
94.04173	4.1
95.04960	5.9
98.98445	5.0
103.05449	5.2
103.68557	1.4
105.07011	4.6
107.04952	7.5
109.06460	4.5
111.04403	1.5
117.06993	2.2
119.04925	19.2
121.06451	7.8
122.03640	6.9
123.08040	2.6
128.06212	5.0
129.06985	15.8
131.04897	7.0
133.06465	2.4
135.04361	1.6
135.07993	6.3
136.05185	2.9
137.05959	80.4
145.06483	5.3
146.03564	1.9
149.05969	14.7
151.03917	3.0
151.07520	100.0
152.06172	5.2
156.31400	1.7
157.06438	12.9
161.05969	13.6
161.09642	4.4
163.07523	21.2
165.06970	14.5
165.09114	3.4
166.07765	3.0
167.08537	19.6
169.06531	2.6
173.89455	1.2
174.06734	5.3
175.07513	4.6
177.07004	2.6
177.09087	3.5
178.07764	8.6
179.08565	2.6
181.06444	4.0
182.07181	3.5
183.08037	2.4
189.09079	36.1
191.08659	1.6
192.09253	3.0
193.06465	7.3
193.10106	9.1
194.07274	2.8
195.08026	27.6
196.08807	1.6
197.05969	6.1
197.09502	1.7
199.07571	1.4
202.07916	2.4
203.08583	2.3
205.06351	1.6
206.07246	2.1
207.08331	1.3
207.10153	5.8
209.05969	2.6
209.09590	3.8
209.77260	1.4
210.06731	12.4
211.07526	6.1
212.08324	3.7
219.08012	1.7
220.08833	1.4
221.05948	10.4
221.09500	12.9
222.06734	1.8
222.10124	1.7
223.07506	13.1
224.08264	5.6
225.05521	2.1
225.09065	10.7
227.07121	2.7
227.10631	30.9
237.09128	4.1
238.06154	6.8
238.09895	2.2
239.07240	2.2
239.10681	1.8
240.07751	4.0
241.08490	3.8
241.12122	2.1
249.09030	6.2
252.07724	1.7
253.08601	13.1
253.12193	16.7
254.09253	1.5
255.06221	1.5
255.10146	33.6
266.09311	1.5
267.09970	6.7
269.08060	4.3
269.11707	2.4
272.10345	3.8
281.11722	4.3
284.10461	1.6
285.11166	18.7
287.12741	44.0
299.12692	1.6
301.14417	2.2
313.14273	12.6
331.14856	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.7
57.26247	2.1
65.03929	3.2
68.87756	2.0
69.70692	14.7
79.05468	5.3
80.05821	2.1
82.06565	4.4
83.08594	6.1
91.05469	43.6
94.04175	3.5
95.04937	6.1
100.11236	22.4
103.05443	7.2
105.07040	5.8
107.04930	7.8
109.06503	5.3
109.36584	2.2
110.06042	3.5
110.11565	2.1
111.04466	5.9
115.05458	3.2
119.04934	21.8
121.06484	7.5
122.03625	9.2
128.06175	7.3
129.06993	18.5
131.04901	8.6
131.08481	3.6
135.08009	7.5
137.05957	89.1
141.11415	3.0
145.06526	4.1
146.03636	2.1
149.03716	2.1
149.05928	16.9
151.03931	2.6
151.07520	100.0
152.06213	4.1
152.52502	2.3
157.06483	17.0
161.05946	22.1
163.07541	20.7
165.07005	16.8
165.09068	2.9
166.07658	2.9
167.08559	18.9
174.06763	6.4
175.07506	5.3
178.07751	8.4
181.06432	6.5
182.07248	4.7
182.15425	9.2
183.08017	3.3
189.09088	37.8
190.09416	2.8
191.08607	2.2
192.09285	3.4
193.06490	9.4
193.10107	11.7
194.07071	2.4
195.08037	26.2
195.30312	2.3
196.08798	2.8
197.05907	5.1
202.07785	2.8
203.08618	4.0
206.07243	4.6
207.08096	4.6
207.10201	5.5
209.05923	5.1
209.09615	5.9
209.16428	3.3
210.06741	10.5
210.14876	7.5
211.07477	2.3
212.08351	4.0
220.08801	3.3
221.05908	10.7
221.09596	16.4
222.06778	2.3
223.07549	14.2
224.08224	7.1
225.09094	16.2
226.19254	3.4
227.10619	33.2
235.07753	2.0
237.09048	3.3
238.06235	5.3
238.09828	2.5
239.10736	2.1
240.07886	3.8
241.12144	3.9
249.09085	5.1
252.07893	4.1
253.08519	17.2
253.12228	20.7
255.10156	29.4
256.10553	2.3
267.10077	6.2
269.08188	4.2
269.11707	2.2
272.10355	3.5
281.11667	7.2
285.11197	19.7
287.12708	43.3
313.14230	13.0
315.04993	3.5
322.76123	2.1
326.28058	2.4
326.91364	2.2
331.08148	5.1
331.15399	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	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
65.03943	1.6
69.03400	2.3
70.64434	3.0
70.64782	3.9
79.05478	4.1
81.07028	2.4
91.05473	27.5
94.04162	2.2
95.04942	6.5
98.98436	6.3
103.05441	5.7
105.06998	7.3
105.26929	1.9
107.04962	16.2
109.06483	5.1
115.05443	3.2
118.92721	1.7
119.04935	16.7
121.06495	9.2
121.07998	1.6
122.03644	7.3
128.06169	5.9
129.06984	14.9
131.04906	5.0
133.02849	2.0
135.08037	5.9
136.05196	3.2
137.05959	57.4
145.06465	3.3
146.03619	1.9
146.07155	2.2
148.05141	1.9
149.05994	16.1
150.06789	3.0
151.03874	3.2
151.06271	3.2
151.07520	67.4
152.06172	3.0
157.06436	10.8
161.05960	36.3
161.09595	11.7
162.06709	2.3
162.41641	1.7
163.03824	2.4
163.07545	25.1
165.06935	8.8
165.09091	4.5
166.07774	2.6
167.08473	11.5
169.01241	2.8
169.06401	1.6
169.08362	14.6
169.12189	3.7
174.06749	8.0
175.07555	2.6
177.08998	2.7
178.07790	5.2
181.06439	2.7
181.08559	2.8
182.07204	5.2
185.04196	12.6
189.09096	38.7
193.06433	5.4
193.10078	5.6
194.07278	2.1
195.08063	19.1
197.05991	3.9
203.05278	7.2
207.08293	2.9
207.10124	13.7
209.05919	2.1
209.09636	2.5
210.06721	6.5
211.07457	4.1
212.08307	4.6
221.05949	7.8
221.09561	9.4
223.07513	8.7
224.08270	4.4
225.05614	2.0
225.08992	8.5
227.07051	2.4
227.10678	24.3
237.09071	2.9
238.06270	2.3
239.07166	1.8
239.10579	1.8
240.07643	2.2
249.09151	4.4
253.08549	10.7
253.12202	12.1
255.10135	19.4
267.10141	6.4
269.08084	3.7
269.11499	1.8
272.10223	2.3
281.11667	5.3
285.11188	15.4
287.12750	31.1
313.14178	9.1
331.13583	100.0
332.13937	3.2
335.09067	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	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33200	1.3
69.28029	15.9
78.31789	1.3
79.05028	1.2
79.05473	3.5
80.08762	1.3
81.07032	3.7
81.33685	1.3
91.05466	31.9
91.84581	1.5
94.04174	4.0
95.04935	7.1
98.21479	3.1
98.98449	8.1
102.94360	1.3
103.05473	5.1
105.07023	4.8
107.04933	7.0
109.06497	4.5
115.05454	4.6
117.07015	2.3
118.42230	1.3
119.04928	17.4
119.88252	1.3
121.06521	7.3
122.03645	7.4
128.06227	4.5
129.06989	15.8
129.20209	1.4
131.04956	4.7
135.08034	5.5
136.05194	3.5
137.05962	81.1
145.06537	4.1
146.03658	2.0
146.07257	1.7
148.05168	1.9
149.05963	15.8
150.06905	1.7
151.03941	3.3
151.07524	100.0
152.06213	3.9
153.06950	1.3
157.06458	13.4
161.05956	14.8
161.09659	2.1
163.07529	22.0
165.06987	11.2
165.09137	5.9
166.07794	2.5
167.08540	16.5
169.06412	1.4
174.06766	6.2
175.07460	3.8
176.08302	1.4
177.05389	1.9
177.06880	2.3
177.09102	3.5
178.07726	6.6
179.08507	2.3
181.06508	5.3
182.07275	4.9
183.08145	1.5
187.07552	1.9
189.09094	35.6
192.09375	2.5
193.06453	7.3
193.10146	6.9
194.07355	2.1
195.08031	28.3
196.08717	1.9
197.05975	5.7
197.09589	2.8
203.08649	2.6
205.06508	2.1
206.07251	2.1
207.08278	2.9
207.10207	5.9
209.05959	3.4
209.09660	3.1
210.06711	8.4
211.07446	3.2
212.08316	3.1
221.05991	9.9
221.09576	11.3
222.06854	1.5
223.07495	11.8
224.08279	4.5
225.05478	3.4
225.09111	9.6
227.07111	2.4
227.10612	26.1
237.09155	4.2
238.06334	4.1
238.09904	2.3
239.06990	2.3
240.07803	3.6
241.08405	1.7
241.12294	2.2
249.09145	6.2
251.06837	2.0
252.07616	1.6
253.08585	14.0
253.12163	13.8
255.10141	31.5
255.12750	2.3
267.10172	5.6
268.59683	1.5
269.08051	4.3
269.11566	2.3
271.02344	2.7
272.10406	2.5
281.11761	7.2
284.10385	1.9
285.11224	19.0
287.12744	40.3
298.11951	1.9
299.01840	7.9
300.99765	1.7
313.14337	12.4
316.02145	3.6
331.04391	11.0
331.17291	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	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03937	2.4
55.01862	1.7
55.05500	3.0
56.96553	1.2
59.80317	1.0
65.03921	2.8
67.05482	6.2
69.03414	2.4
69.07052	5.0
69.38762	8.7
76.51917	1.3
79.05479	11.7
81.03401	1.9
81.07034	7.2
83.04971	2.7
83.08604	1.2
91.05466	48.1
93.07030	19.3
94.04173	4.5
95.01315	1.9
95.04953	9.0
95.08598	5.0
98.98444	13.3
103.05474	7.2
105.06361	2.2
105.07015	21.2
107.04942	10.6
107.08562	7.9
109.06496	7.8
109.10143	12.1
111.04405	1.9
115.05441	3.4
116.06184	1.4
117.07021	6.1
119.04938	19.7
119.08562	9.1
121.06498	13.6
121.10127	56.5
122.03635	10.4
123.04437	1.1
123.08076	3.2
123.11696	3.5
125.05954	1.9
127.03899	1.8
128.06244	8.6
129.06981	19.7
131.04890	7.3
131.08549	9.5
133.06474	3.1
133.10104	8.2
135.04468	1.7
135.08014	12.2
135.11662	2.8
136.05135	3.0
137.05957	93.2
137.09552	6.2
141.06978	2.1
143.04845	1.5
143.08543	2.3
145.06483	3.4
145.10089	3.3
146.03622	2.5
147.04395	2.5
147.08015	3.5
147.11714	2.2
149.05962	16.1
149.09599	29.8
150.06725	1.4
151.03886	4.9
151.07523	100.0
152.06212	4.9
153.06938	1.6
156.05757	1.6
157.06480	14.3
157.10101	2.4
159.08058	3.5
161.05943	18.0
161.09645	6.3
161.13254	1.6
163.07518	27.6
165.06984	15.5
165.09125	5.0
166.07759	4.6
167.07106	2.1
167.08522	19.9
169.06451	2.2
169.10043	1.4
171.11710	1.3
173.13237	2.2
174.06712	7.2
175.07512	5.6
175.11147	1.5
175.14810	4.2
176.98869	1.3
177.06927	1.4
177.09111	8.9
177.16362	3.0
178.07799	7.5
179.07025	1.5
179.08551	3.3
181.06444	6.7
181.10086	1.7
182.07281	5.8
183.08017	2.7
185.13298	2.1
187.07539	1.8
189.09076	41.5
189.12677	3.1
191.08559	1.5
192.09360	3.6
193.06445	9.1
193.08450	1.5
193.10109	9.6
194.07257	3.1
195.08032	25.4
196.08655	1.9
197.05952	5.6
197.09662	2.5
199.07483	2.6
199.11232	1.3
202.07846	1.4
203.08565	2.7
205.06564	1.3
206.07201	3.5
207.08188	2.3
207.10130	7.0
209.05986	3.9
209.09627	4.4
210.06721	11.9
210.96126	1.2
211.07574	4.5
212.08249	5.7
213.09148	1.8
220.08771	2.8
221.05945	11.2
221.09525	14.3
222.06647	1.5
223.07510	12.6
224.08278	6.4
225.05527	2.4
225.09050	13.6
227.07004	3.4
227.10611	33.8
231.08064	1.5
237.05408	2.2
237.09073	4.4
238.06277	6.2
238.09872	2.7
239.06935	4.1
239.10692	2.3
240.07796	3.9
241.08531	1.8
241.12212	1.6
249.09052	8.3
251.07051	1.4
252.07869	2.3
253.08563	16.2
253.12221	18.2
254.09276	1.3
255.06409	2.1
255.10130	32.7
266.09512	2.1
267.10193	6.0
269.08157	4.7
269.11688	3.0
270.08719	2.0
272.10419	4.7
281.11749	7.0
284.10413	2.1
285.11194	23.6
285.18442	3.9
287.12747	50.4
295.16800	2.3
298.11938	1.7
299.12701	1.9
301.14267	1.5
303.19547	4.6
313.14285	15.1
313.17944	4.9
320.97797	1.2
331.04453	1.6
331.11804	1.9
331.15298	10.3
331.19104	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	331.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99265	1.2
58.80976	1.1
67.05467	1.4
71.23671	1.4
71.23998	2.0
79.05473	1.6
80.95780	1.1
81.83947	1.1
85.02896	3.0
87.02288	1.2
91.05475	12.0
95.04954	3.0
97.02863	2.2
98.98453	9.5
103.05458	3.9
105.07019	3.0
107.04935	8.6
119.04913	6.9
121.06474	4.8
122.03632	2.8
123.08042	1.5
123.11772	1.3
127.03899	1.8
128.06207	1.6
129.07050	6.7
131.04915	3.2
133.02859	1.8
135.04338	1.8
135.07988	3.3
137.04994	2.5
137.05974	33.3
145.06473	2.2
146.07210	1.4
149.06003	6.8
150.06755	2.1
151.07533	33.8
152.06273	1.6
153.01930	1.1
154.59891	1.3
157.06444	4.4
161.05992	17.2
161.09573	4.0
163.07533	11.1
165.06987	4.8
167.08591	6.3
169.01328	3.0
169.08356	16.3
169.12253	5.6
173.66949	1.3
174.06734	2.6
175.07544	1.2
177.09084	1.3
178.07822	2.0
181.06476	2.3
181.08585	1.3
182.07216	1.6
185.04216	14.9
189.09109	18.4
193.06450	3.8
193.10190	3.3
195.08055	8.8
197.06041	1.6
203.05202	7.5
207.08430	1.4
207.10168	7.8
209.09592	1.4
210.06766	3.2
211.07556	1.6
212.08347	1.7
221.06027	2.7
221.09601	6.2
223.07497	2.2
224.08337	2.0
225.09053	5.8
227.07172	1.2
227.10629	8.9
238.06320	1.5
239.10513	1.3
249.09209	2.9
253.08524	5.1
253.12177	5.2
255.10182	12.7
272.10391	1.8
285.11273	6.1
287.12766	15.4
299.12708	1.4
313.14328	4.0
331.07068	3.8
331.13593	100.0
332.14108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03953	1.1
55.01878	1.2
56.06942	1.0
60.04211	1.2
65.03923	1.1
66.52425	1.0
69.97504	5.3
75.73025	1.3
76.17974	1.0
79.05479	3.7
79.61528	1.1
81.07055	2.4
83.04984	1.2
91.05476	33.0
94.04205	3.5
95.04973	7.1
98.21404	2.1
98.98453	7.0
103.05447	3.8
105.07040	5.2
107.04955	7.2
109.06514	6.6
111.04476	1.4
115.05448	3.1
117.06984	1.9
119.04930	19.5
119.08581	1.4
120.58868	1.1
121.06491	6.4
122.03652	7.7
123.08066	1.7
128.06186	5.8
129.06996	15.2
131.04886	6.7
131.08530	1.5
132.05504	1.1
133.02780	1.0
133.06526	1.9
135.08067	6.3
135.76129	1.0
136.05205	3.5
137.05968	72.6
141.06926	1.1
143.04916	1.3
145.06462	2.7
145.10118	1.2
146.03596	1.4
147.04414	1.3
147.08037	1.2
148.05164	1.5
149.05962	11.1
150.06734	1.3
150.09161	4.2
151.03865	3.2
151.07533	100.0
151.09296	7.9
152.06233	3.0
152.07883	1.5
153.06992	1.5
155.06003	1.2
157.06453	11.0
158.07173	2.0
161.05975	12.3
161.09625	4.2
162.06754	1.0
163.07538	24.0
165.06982	11.2
165.09099	3.9
166.07764	2.2
167.07149	1.1
167.08533	18.3
168.05673	1.5
169.06487	1.5
174.06743	5.7
175.07501	5.4
177.05548	1.4
177.07013	1.9
177.09109	3.9
178.07761	6.2
179.08534	1.8
181.06473	5.2
181.10095	1.9
182.07234	4.1
189.09087	35.5
191.08530	2.5
192.09398	3.1
193.06482	7.5
193.08650	1.2
193.10066	7.5
194.07344	2.5
195.08038	25.5
196.08856	3.2
196.68407	1.1
197.05968	5.8
199.07504	1.5
202.07790	2.2
203.08592	1.8
205.06458	1.6
206.07306	2.0
207.08195	2.2
207.10165	6.2
209.05911	3.4
209.09688	2.8
210.06709	11.4
211.07529	4.7
212.08269	5.7
219.08090	1.6
220.08954	1.7
221.06021	8.4
221.09567	9.7
223.07542	9.2
224.08305	3.6
225.05450	2.2
225.09024	8.8
227.07042	3.3
227.10649	28.4
237.09171	2.1
238.06189	6.4
238.09862	1.9
239.06992	1.6
239.10628	1.4
240.07834	2.8
241.08653	2.4
241.12195	2.0
249.09055	5.3
252.07867	2.6
253.08626	13.7
253.12239	15.7
254.05606	1.3
255.10141	33.8
267.10092	4.6
269.08112	4.5
269.11703	2.8
270.09006	1.9
272.10483	2.5
281.11685	5.7
284.10376	2.4
285.11218	19.7
287.12762	43.5
288.13190	2.0
298.12015	1.2
299.12680	1.6
313.14273	12.0
331.11926	1.4
331.15436	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	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
54.36635	1.0
55.01854	1.4
55.05505	1.3
57.63556	1.2
65.03917	2.5
67.05494	2.9
69.03400	1.2
69.68089	8.8
72.08150	1.1
79.05470	8.7
81.07028	5.8
83.04955	1.4
84.17467	1.1
91.05466	41.1
91.82970	1.0
93.07018	6.5
94.04167	4.5
94.34772	1.0
95.04955	8.0
95.08587	1.5
97.02868	5.5
97.06493	1.4
98.20752	2.4
98.98434	8.7
101.55406	1.2
103.05437	4.9
105.03358	1.3
105.06998	12.5
107.04946	10.7
107.08546	3.0
109.06482	7.2
109.10136	2.7
115.05418	4.1
117.07016	5.4
119.04916	19.0
119.08566	2.9
121.06484	10.6
121.10154	3.6
122.03635	9.6
123.04347	1.5
123.08034	1.4
128.06186	6.6
129.06989	19.2
131.04893	7.4
131.08551	8.5
132.05707	1.6
133.06482	2.6
133.10109	2.8
135.04350	1.3
135.08049	8.7
136.05170	4.0
137.05951	82.5
141.07007	1.4
143.04880	2.5
143.08572	1.3
145.06445	6.3
146.07231	1.5
147.08041	1.4
148.05153	2.4
149.05960	15.3
149.09590	5.5
150.06749	2.3
151.03905	2.4
151.07513	100.0
152.06178	4.9
152.07854	2.1
153.07011	2.4
157.06453	10.6
159.08026	5.9
161.05940	15.5
161.09589	4.5
163.07524	24.9
163.11162	1.2
165.06961	15.2
165.09073	4.7
166.07758	3.3
167.08522	19.5
169.06435	3.8
170.84932	1.3
174.06764	8.9
175.07460	5.6
176.06137	1.5
176.07652	1.2
177.06964	2.8
177.09058	8.0
178.07741	9.2
179.08459	2.1
181.06480	4.0
181.08600	1.2
181.10062	1.3
182.07257	5.0
184.08774	1.2
187.07529	2.7
187.47333	1.2
189.09068	33.5
192.09319	2.6
193.06442	10.0
193.10127	8.4
194.07169	2.9
195.08000	27.9
195.09796	2.1
196.08733	1.7
197.05977	7.7
197.09608	2.1
202.07718	2.1
203.08458	3.3
205.06497	2.0
205.08530	2.9
206.07307	1.9
207.04399	1.4
207.08160	1.9
207.10159	4.5
209.05963	2.5
209.09586	4.1
210.06682	13.1
211.07550	3.2
212.08347	6.6
213.09157	1.7
220.08839	2.3
221.05952	9.2
221.09543	10.9
222.06596	1.5
223.07483	11.9
224.08290	4.4
225.05403	1.5
225.09013	10.2
226.09520	1.3
227.07130	2.6
227.10628	32.1
227.12888	1.6
237.09032	3.6
238.06271	6.5
239.07002	2.7
239.10553	1.6
240.07732	3.9
241.08536	2.0
241.12138	1.7
249.08987	6.7
252.07816	2.9
253.08572	16.4
253.12216	18.1
254.09375	2.5
255.06429	1.9
255.06873	1.9
255.10085	35.5
256.10873	1.5
266.09290	1.3
267.10046	7.3
269.07944	3.9
269.11618	3.5
270.08679	2.5
272.10403	4.2
281.11673	7.5
285.11172	21.1
287.12720	42.4
287.15802	2.8
288.12918	1.5
313.14340	13.3
313.17676	2.2
331.11865	2.0
331.15326	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	329.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65193	0.3
55.05503	1.4
56.05031	2.0
57.07074	3.6
63.57245	0.4
67.05500	2.5
69.07058	2.4
69.96841	1.9
71.04996	0.6
71.08635	1.8
75.24341	0.3
77.04037	0.4
79.05482	0.5
81.07056	4.4
82.06573	0.3
83.08607	1.0
84.08138	100.0
85.06519	0.8
85.08467	0.8
85.10162	0.5
91.05494	0.8
93.07043	1.5
95.04957	0.4
95.08601	3.4
97.10172	0.7
98.98461	23.4
99.08070	0.4
104.99310	0.4
105.07027	0.6
107.08567	0.8
109.10155	1.4
111.08048	0.5
116.98724	0.4
116.99519	1.3
119.08595	0.5
121.10150	1.0
123.11738	0.9
129.10233	2.0
130.08635	8.8
135.11627	0.5
137.13239	0.5
140.01074	0.4
146.97450	0.3
147.11266	4.4
149.13293	0.7
155.14345	0.4
157.10095	0.4
159.11656	0.4
174.99237	1.7
176.98903	0.9
195.49661	0.3
213.87106	0.4
222.89877	0.3
232.96346	0.4
240.90976	0.8
247.05811	0.4
250.97624	0.4
266.24768	11.3
283.27463	0.5
293.28384	0.6
306.91962	0.6
311.29599	0.4
329.27975	14.4
330.28345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28082	1.1
55.05494	3.0
57.98795	1.2
58.99579	42.3
59.04971	1.4
61.83331	0.9
65.03926	1.3
69.03419	86.2
69.07082	1.2
73.01130	4.1
79.61571	0.8
81.07037	2.0
83.04974	4.3
85.01112	2.6
86.09696	1.8
86.99040	58.9
87.04457	20.1
89.04242	2.2
91.05459	2.2
93.07030	2.3
95.08588	1.6
98.98454	48.9
99.02666	8.8
103.02142	1.3
105.00077	100.0
105.07018	2.0
107.04945	2.3
109.02808	1.0
109.10139	2.2
116.99487	2.6
117.03706	18.4
117.06962	1.2
119.01622	1.3
119.04925	1.3
119.08549	1.5
121.02856	1.1
121.06436	1.3
121.10119	5.1
123.01129	2.2
123.08101	1.2
125.05949	1.0
137.05981	4.4
137.09636	1.1
139.03889	3.3
139.11156	52.5
140.11545	1.6
145.03151	10.7
147.04344	1.3
149.02670	13.1
149.05956	1.3
149.09636	2.1
151.03889	1.5
153.01831	4.3
163.04224	45.5
165.09106	4.2
167.03380	1.9
167.10619	1.4
174.99239	4.0
175.82465	1.0
176.98911	1.6
183.04779	1.2
183.10146	1.7
191.03705	14.2
207.13809	6.1
227.07071	1.5
239.10960	2.6
268.07281	1.5
283.09857	3.0
283.13376	3.9
297.10855	1.1
311.12646	1.3
329.02832	3.8
329.06509	8.2
329.13959	10.0
329.17426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0645
Annotation	Dalspinin
Peak:m/z	Relative Intensity
53.03931	0.3
55.01859	0.3
57.03426	0.3
65.03933	0.9
65.56027	0.1
67.01847	0.3
67.05516	0.2
68.79585	0.1
68.99770	0.9
69.03416	0.2
69.93114	0.2
69.93507	0.3
70.26803	0.1
79.05484	0.2
80.07384	0.1
81.03414	1.4
83.01343	0.2
83.04971	0.2
85.02897	1.0
86.09692	0.1
89.03912	0.2
91.05453	0.2
93.03393	0.7
95.04949	0.4
97.02870	0.5
98.21396	0.1
98.98449	9.7
99.75235	0.1
105.03393	0.3
107.01295	0.2
109.02865	1.2
110.03641	0.2
111.04438	0.3
116.99469	0.5
117.03320	0.3
121.02840	2.6
121.18013	0.1
123.04408	0.2
124.01581	0.2
125.02305	0.5
125.38034	0.1
127.03893	0.3
133.02818	0.3
134.03624	0.3
135.04399	1.8
136.05362	0.1
137.02313	3.8
137.03264	0.2
137.05971	0.3
138.03081	0.5
141.01811	0.3
145.02806	0.2
147.04327	0.3
149.02312	2.8
149.05925	0.2
152.06212	0.2
153.01804	1.6
153.06975	0.3
158.06367	0.2
161.02332	1.9
163.03937	0.2
165.01784	1.2
166.02650	0.2
167.03378	9.0
171.04366	0.2
174.99249	0.7
175.03862	0.3
175.07487	0.1
176.98959	0.2
177.01810	2.0
179.03407	0.6
181.06430	0.5
183.02853	0.8
184.03642	0.5
184.05191	0.1
189.05412	0.1
195.02864	4.1
199.07539	0.2
203.03406	0.3
209.05959	0.3
226.06195	0.3
227.07016	0.5
229.04889	0.3
231.06517	0.2
237.05435	0.4
237.09056	0.2
243.06384	0.6
244.07225	0.4
245.04414	2.3
255.03767	0.2
255.06461	1.9
257.04434	0.1
258.05203	1.1
259.06012	0.1
263.05490	0.2
265.05023	0.1
269.04282	0.3
271.05945	1.6
272.06766	1.7
273.07275	0.2
283.05978	11.7
284.06381	0.4
285.03891	0.6
285.07556	0.2
286.01440	0.2
286.04663	4.0
287.05197	0.3
293.04352	0.1
299.05450	10.1
300.06232	14.6
301.06894	1.8
311.05457	7.9
311.08206	0.2
312.05765	0.4
329.06491	100.0
330.03113	0.3
330.06833	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	329.0645
Annotation	Dalspinin
Peak:m/z	Relative Intensity
53.03947	0.3
53.84874	0.1
65.03932	1.0
67.01868	0.3
68.99785	0.7
69.61179	1.1
75.23287	0.1
81.03414	1.6
83.01299	0.2
84.08138	0.1
85.02895	0.9
86.82449	0.1
89.03881	0.2
91.05460	0.2
93.03387	1.0
95.04935	0.4
97.02883	0.2
98.98454	4.5
105.03368	0.4
107.01316	0.2
107.04964	0.2
109.02859	1.3
110.03668	0.2
111.00771	0.1
111.04414	0.4
117.03339	0.2
121.02858	2.6
123.04379	0.2
125.02365	0.3
133.02831	0.5
134.03674	0.3
135.04411	1.5
137.02325	3.9
137.03394	0.3
138.03123	0.5
145.02826	0.3
147.04417	0.3
149.02307	3.0
151.03856	0.2
153.01791	1.1
153.06999	0.2
160.07582	0.2
161.02325	2.3
163.03839	0.3
165.01808	1.0
166.02611	0.3
167.03394	7.5
174.99178	0.4
175.03912	0.3
176.98898	0.1
177.01816	1.8
177.05440	0.2
179.03394	0.7
181.04924	0.2
181.06444	0.4
183.02919	0.7
184.03667	0.4
186.37856	0.1
189.05486	0.2
195.02875	3.8
199.07481	0.2
203.03459	0.3
213.03740	0.2
213.05519	0.3
218.05786	0.2
221.71690	0.1
225.05536	0.2
227.07112	0.6
229.04906	0.3
231.06531	0.3
237.05373	0.3
243.06558	0.5
244.07191	0.3
245.04410	2.0
255.06497	1.9
258.05255	1.1
265.04926	0.3
269.04349	0.1
271.05984	1.8
272.06717	1.7
282.05087	0.1
283.05988	11.4
284.06519	0.4
285.03976	0.4
285.07483	0.1
286.04694	3.4
287.05145	0.2
299.05472	10.2
300.06250	14.2
301.06924	1.6
311.05466	7.2
329.06512	100.0
330.06851	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.2
55.17468	1.8
56.96567	2.9
57.03098	1.7
58.06591	1.4
59.90826	1.6
67.05498	14.9
69.07063	7.8
69.68423	11.6
79.05481	6.5
81.07054	12.7
83.04952	1.5
83.08613	3.6
91.05469	7.3
93.07014	7.5
95.04974	2.2
95.08601	6.5
95.76376	1.5
97.06551	2.5
98.09675	4.0
98.20738	2.7
98.98462	100.0
105.07019	5.5
107.08595	4.9
109.10141	7.0
116.98655	1.9
116.99480	3.6
117.07018	2.7
119.08549	6.1
121.06521	1.7
121.10151	2.8
123.11687	1.4
130.93295	2.6
131.08563	1.6
133.10132	5.5
135.11670	4.4
137.05978	14.6
140.01125	1.8
147.11659	4.3
149.09682	2.5
160.95555	2.1
163.11108	1.8
172.94371	2.5
173.11746	2.5
174.99219	7.7
176.98955	3.4
190.95372	13.0
195.13863	1.6
208.96411	9.3
231.03433	3.0
232.96417	11.9
250.97517	9.8
275.20013	3.8
280.94815	2.7
328.18793	32.3
328.28412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0646
Annotation	Dalspinin
Peak:m/z	Relative Intensity
51.81746	0.0
51.97189	0.1
53.03938	0.3
55.01868	0.1
57.03423	0.2
65.03933	1.1
67.01862	0.4
67.05492	0.1
68.99776	0.9
69.03408	0.1
71.12093	0.1
73.29902	0.1
79.01865	0.1
79.05486	0.1
81.03412	1.6
83.01330	0.2
85.02390	0.1
85.02892	1.0
89.03931	0.2
92.10701	0.1
93.02882	0.1
93.03408	0.9
94.04196	0.1
95.01364	0.1
95.04952	0.2
97.02863	0.1
98.98462	0.8
105.03382	0.4
107.01300	0.2
107.04964	0.1
109.02870	1.1
110.03635	0.2
111.00771	0.1
111.04436	0.3
115.05450	0.1
117.03356	0.2
121.02853	2.5
123.04416	0.1
124.01567	0.1
125.02338	0.3
127.03912	0.3
133.02832	0.4
134.03607	0.4
135.00769	0.1
135.04395	1.7
136.05190	0.1
137.02328	3.7
137.03317	0.1
138.03093	0.6
139.03867	0.2
141.01848	0.2
145.02751	0.1
147.04424	0.2
149.02325	3.0
150.04268	0.1
151.03932	0.2
152.01071	0.1
152.06236	0.1
153.01816	1.2
153.06978	0.2
161.02325	2.0
161.05946	0.1
163.03906	0.2
165.01819	1.2
165.06958	0.1
166.02591	0.4
167.03391	8.0
168.03697	0.2
169.06447	0.1
170.02155	0.1
171.02905	0.1
173.05989	0.1
174.99133	0.1
175.03908	0.2
177.01817	2.2
177.05449	0.1
179.03371	0.6
181.06430	0.4
183.02876	0.7
184.03676	0.4
189.05418	0.2
195.02879	4.1
196.03232	0.1
197.06049	0.1
199.03847	0.1
199.07556	0.2
200.71323	0.1
201.05569	0.1
202.06345	0.1
203.03316	0.3
209.05966	0.2
212.04546	0.1
213.03737	0.1
213.05447	0.3
215.07077	0.2
217.05009	0.1
218.05766	0.2
221.04265	0.1
226.06158	0.1
227.06999	0.5
229.04936	0.4
230.05522	0.1
231.06375	0.3
231.19594	0.1
237.05354	0.3
241.04863	0.1
243.06480	0.6
244.07246	0.3
245.04443	1.9
253.04958	0.1
254.05844	0.2
255.06473	2.0
256.06918	0.1
257.04535	0.1
257.08066	0.2
258.05225	1.0
263.05511	0.2
265.04922	0.2
267.06427	0.1
269.04306	0.1
271.05978	1.9
272.06757	2.1
273.07416	0.2
275.32300	0.1
282.05219	0.2
283.05984	11.8
284.06406	0.5
285.03909	0.6
285.07407	0.2
286.04688	4.1
287.05258	0.2
293.04398	0.1
299.05472	10.3
300.06244	14.4
301.06952	1.7
311.05460	8.0
312.06018	0.4
329.06509	100.0
330.06851	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.1
55.05261	5.0
55.05503	66.5
62.28839	3.0
67.05491	15.4
69.03422	7.2
69.07053	14.6
70.12536	12.5
79.05486	32.3
80.26673	3.0
81.07066	20.9
83.04971	5.1
83.08613	39.4
91.05460	12.5
93.07031	11.3
95.08568	5.8
97.10165	68.4
98.98463	47.1
105.07022	39.6
107.08583	93.7
108.08869	3.1
109.06445	4.0
109.10112	4.0
109.25348	2.9
116.45277	3.0
117.07008	4.4
119.08545	6.8
121.10110	3.5
123.11683	4.3
125.08749	4.5
125.09619	67.8
131.08569	4.1
133.10112	11.5
135.08070	6.6
143.10716	3.4
145.10094	6.9
147.11713	5.6
153.09090	5.8
171.10136	7.3
172.94400	6.0
174.99150	3.0
189.11192	100.0
190.95404	12.8
208.96368	6.5
231.03352	3.8
232.96400	12.9
250.97510	8.9
257.18906	7.8
275.20047	59.8
328.19095	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.8
55.05509	28.8
56.05852	2.5
56.96563	5.6
57.07063	4.0
66.75850	2.8
67.05501	20.2
69.03439	3.6
69.07063	23.8
70.72897	5.1
70.73292	6.1
79.05499	17.6
81.07048	19.8
82.07403	6.0
83.04981	3.1
83.08623	21.2
85.06520	3.1
91.05479	15.4
92.05797	2.7
93.07024	12.8
95.04977	4.3
95.08609	10.9
97.10166	37.7
98.98463	100.0
105.07019	14.7
106.07389	3.3
107.08593	39.7
109.10166	4.2
115.05804	7.4
115.07554	2.9
116.06136	7.0
116.98692	3.5
116.99530	6.1
119.08591	7.2
121.10152	7.6
125.09637	34.6
130.93314	7.2
131.08646	3.4
133.10114	7.0
134.99609	3.6
135.08054	4.3
145.10114	4.5
147.11708	5.4
148.07584	4.2
148.94342	2.6
149.09631	3.7
152.30069	3.2
159.11621	4.6
160.95570	4.0
171.10226	3.8
172.94341	5.6
174.99196	6.2
176.98969	4.7
189.11195	38.8
190.95387	23.9
199.75375	2.6
208.96448	19.9
231.03368	6.8
232.96388	16.5
250.97507	15.6
255.98068	3.7
275.20062	32.4
276.20450	4.9
280.95023	5.1
283.14325	6.1
293.21078	4.6
310.19223	6.1
328.06171	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	328.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05502	2.2
56.92086	1.5
56.96562	8.2
57.03416	5.3
59.05000	44.1
59.06122	2.8
61.02911	6.0
61.34259	1.4
69.03427	15.4
69.07047	7.6
69.96192	2.0
69.99563	1.6
70.06593	15.3
70.27445	5.7
71.94105	1.8
72.08138	5.6
73.02904	3.3
73.06551	100.0
81.03417	9.1
81.07054	1.6
84.04500	2.9
84.08121	2.5
85.02423	2.9
85.02901	45.9
85.07652	5.1
86.08465	3.3
86.09679	5.1
87.04470	3.7
87.05565	2.6
88.10619	2.2
89.06039	1.7
91.03916	3.0
91.05459	4.9
93.07030	2.8
94.06573	1.7
97.02905	14.7
98.21357	2.2
98.97584	13.9
98.98462	77.5
99.04442	1.7
103.05463	3.9
109.02879	6.5
115.07552	1.9
116.07063	2.0
116.98615	12.1
116.99458	3.7
117.09101	10.6
119.04938	6.5
120.08099	52.9
123.04425	1.6
127.03900	9.5
128.98650	3.1
129.17610	1.9
131.10675	11.1
131.96109	1.9
132.96060	1.8
133.04005	1.6
134.99649	8.8
136.07547	5.1
138.09190	1.6
145.02921	2.0
145.04961	5.6
146.99600	1.6
147.04379	7.4
148.07553	24.9
149.11726	48.8
150.09117	3.8
153.01854	4.1
158.99631	4.2
160.07558	3.7
160.95535	3.4
161.01234	1.7
163.06049	1.5
164.07065	2.0
166.05061	1.9
166.08647	11.7
167.06749	1.8
174.99197	6.2
176.98950	3.8
177.00674	5.3
182.08125	2.5
184.09601	1.9
185.14107	1.7
191.05742	3.0
194.04765	1.7
214.78389	1.7
215.99968	1.8
218.01596	4.5
231.03348	8.6
231.05342	2.1
237.02797	8.6
239.91454	2.0
243.05453	2.1
247.02194	2.1
261.06552	2.9
279.07443	1.9
307.04364	3.0
310.02643	5.3
310.14178	2.4
311.07632	3.4
322.93686	2.8
328.04715	3.0
328.11115	2.1
328.14801	4.8
329.12079	2.3
330.85101	1.6
335.10028	4.4
351.09961	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	328.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38824	0.4
53.03934	0.9
55.01863	0.9
55.10532	0.4
56.96564	0.4
57.03431	2.2
59.05005	0.5
59.62836	0.4
61.02922	3.9
67.05488	0.5
68.76439	0.4
69.03427	8.0
69.07059	1.3
70.06573	1.0
71.04995	0.9
71.60014	0.8
72.08163	0.7
73.02911	1.5
77.23613	0.4
78.46639	0.4
79.05493	0.7
79.08576	0.4
81.03413	4.8
84.08143	0.6
85.02899	25.7
86.03231	0.5
86.09730	0.8
87.04465	1.3
91.03951	1.6
91.05471	0.5
93.07018	0.5
97.02888	8.7
98.98457	16.1
99.04456	1.5
104.04995	1.1
105.06956	0.4
109.02892	2.7
116.99480	0.8
117.38191	0.4
120.08080	0.5
127.03925	5.2
137.05965	0.5
145.04968	3.8
148.02144	82.5
149.02502	1.7
149.05925	0.6
153.01825	0.6
160.95593	0.7
166.03210	100.0
167.03487	2.2
174.97000	0.6
174.99202	1.1
176.98941	0.8
177.05414	0.5
179.07054	0.6
189.04794	1.1
231.03319	1.5
296.59079	0.4
310.16614	0.6
311.05261	0.5
328.08762	0.9
328.17471	1.2
328.99319	0.5
329.06470	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	328.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.4
53.03949	0.5
55.05508	0.9
58.77711	0.3
58.99582	2.6
67.05488	0.8
69.03425	100.0
69.07071	0.9
70.03753	0.7
71.04977	0.3
71.55730	0.6
74.00700	0.4
76.02225	12.8
79.05499	0.6
81.07053	0.7
83.04974	2.1
85.01128	0.7
85.06519	0.5
86.09715	0.4
86.99054	0.7
91.05454	0.8
93.07072	0.7
95.04972	0.6
95.08639	1.0
97.06509	0.4
98.98463	16.5
100.70883	0.4
103.05493	0.5
105.00078	0.6
105.07050	1.0
107.08579	0.4
109.02888	2.5
109.10155	5.4
111.04426	0.4
113.00584	5.1
116.99519	0.5
121.10179	0.5
121.50566	0.3
122.02722	4.6
123.08044	1.8
125.87771	0.4
133.06541	0.5
137.05930	2.3
137.09621	1.1
138.06323	0.8
139.11171	22.1
144.04807	2.0
147.11749	0.9
149.05971	0.9
151.07535	9.9
160.95566	0.6
163.07602	0.7
167.03400	0.4
174.99274	1.3
176.98920	0.5
177.05429	0.5
180.06570	0.7
183.04739	9.1
189.12750	0.6
190.05344	2.2
191.01329	0.4
205.30627	0.4
207.13794	42.9
208.13971	0.5
219.88107	0.4
231.03439	1.2
239.10991	8.8
240.07892	0.4
240.11290	0.5
254.04546	0.5
255.02701	0.4
268.07321	0.6
269.76337	0.5
272.06128	0.5
282.15311	0.6
283.02402	1.4
283.06305	0.4
283.09732	0.8
284.05832	0.6
287.01965	0.4
288.70340	0.4
299.05399	0.6
300.06180	0.5
310.03418	3.4
311.01767	0.7
311.12906	1.0
328.04544	4.8
328.12451	0.7
328.15945	2.4
329.06561	3.7
329.13562	0.7
354.81964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05504	19.7
56.96552	2.1
57.03408	2.0
57.07064	11.1
59.04995	2.7
67.05498	22.2
69.03410	4.7
69.07063	45.7
69.92493	8.9
70.95851	2.0
71.04987	5.5
71.08620	4.1
72.93787	2.7
73.06557	2.6
77.85060	1.4
79.05492	12.3
81.07053	60.0
81.07518	3.6
83.04989	2.2
83.08613	22.2
85.06534	10.7
91.05489	7.1
93.07035	25.7
94.29906	1.6
95.04960	4.1
95.08603	63.7
96.08955	2.2
97.06535	4.4
97.10186	8.2
98.20768	1.8
98.98460	100.0
99.08092	2.8
105.07012	10.8
107.08591	20.8
109.06490	2.0
109.10154	29.1
111.04487	1.6
111.08072	23.0
111.11725	11.2
115.07552	1.9
116.98650	2.1
116.99500	5.4
119.07799	1.8
119.08562	7.8
121.10130	14.4
123.08080	1.8
123.11717	33.3
125.09624	4.0
125.13258	3.6
133.10123	5.9
135.10820	1.6
135.11682	11.4
137.09618	3.1
137.13260	11.5
139.11192	2.8
145.10126	2.3
147.11681	6.1
149.13239	20.2
153.12737	6.5
160.95580	2.1
161.13326	2.0
163.14810	5.6
167.14304	5.2
173.11746	2.4
174.99181	13.7
176.42015	1.8
177.16374	2.1
184.99020	2.0
190.95398	6.1
191.18073	2.1
208.96478	3.1
232.96439	4.1
235.20261	2.0
242.96461	1.8
250.97585	4.0
252.57806	1.6
261.12741	1.9
267.06964	2.9
273.12958	2.3
273.25763	3.7
275.20099	2.2
279.26715	2.7
281.60489	2.0
285.07822	2.5
291.26840	11.1
295.06244	1.8
297.28073	1.8
309.27945	9.3
327.12405	2.6
327.28860	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	327.2889
Annotation	11,15-Epoxy-3(20)-phytene-1,2-diol
Peak:m/z	Relative Intensity
53.03947	1.9
55.01851	4.3
55.05261	1.7
55.05503	21.6
56.96555	2.4
57.03415	2.1
57.07068	12.1
59.04980	3.9
62.03371	1.1
67.05171	2.1
67.05500	30.4
69.03404	4.2
69.07059	86.0
70.07379	1.3
70.90788	2.9
71.04999	5.7
71.05311	1.1
71.08599	2.6
73.06544	2.4
79.05477	11.1
81.07044	100.0
82.27218	1.1
83.04961	2.8
83.08607	27.4
85.06529	29.2
89.03225	1.0
89.06032	1.2
91.05470	6.4
93.07035	32.0
94.07374	1.5
95.04948	4.4
95.08595	75.1
96.08919	1.4
97.06503	7.8
97.10174	8.2
98.98454	54.2
99.08082	15.5
105.07014	10.9
107.04955	1.3
107.08585	32.4
109.06522	2.2
109.10143	31.4
111.08067	38.1
111.11703	13.8
113.09616	3.5
115.07549	2.0
116.99457	2.6
119.08585	5.4
121.10130	16.5
123.08038	1.7
123.11690	39.1
125.09628	4.2
125.13251	4.2
127.11160	2.2
131.08511	1.6
133.10124	4.1
135.11652	14.4
137.05954	2.5
137.13245	15.8
139.11177	6.0
145.10097	1.3
147.11664	6.4
149.13234	28.6
151.14833	2.2
153.01790	1.2
153.12738	11.7
155.14275	2.4
161.13242	3.2
163.14786	7.0
165.12764	2.1
167.14311	7.4
171.13750	1.2
174.99147	5.9
175.14865	1.5
177.16339	4.3
189.16344	1.5
190.95387	2.0
191.17900	2.9
195.17397	1.8
203.14343	1.4
207.07982	1.4
208.96455	1.5
209.18953	1.8
217.19482	1.9
232.96538	1.4
250.22780	1.3
250.73103	1.1
250.97466	1.6
250.99881	1.3
253.08524	1.2
265.25021	1.4
267.09140	2.5
273.18555	1.3
273.25827	3.8
279.26733	2.6
280.94925	1.4
285.10092	4.8
291.26727	9.5
297.27859	6.0
309.27856	20.1
327.12061	3.2
327.28952	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	327.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01854	4.1
55.05256	2.1
55.05504	23.1
55.52724	0.9
56.96555	2.2
57.03437	2.1
57.07064	11.3
59.04984	3.3
61.76935	1.0
63.86884	1.0
65.03938	1.8
65.71718	1.0
67.05496	28.1
69.03412	3.6
69.07059	78.1
70.39696	1.1
71.04975	3.8
71.08607	2.6
71.59585	1.4
73.06543	2.7
75.31090	1.1
79.05481	16.5
80.63665	1.2
81.03368	1.5
81.07047	100.0
83.04968	3.2
83.08611	20.9
85.02892	1.4
85.06535	40.4
85.10174	1.6
86.06892	1.2
91.05466	7.2
93.07032	31.8
95.04930	2.4
95.08595	69.9
97.06512	7.9
97.10149	9.1
98.98451	73.1
99.08078	20.9
100.11268	1.6
101.54950	1.3
103.05466	1.2
105.07013	13.7
107.08579	34.7
109.02795	1.2
109.06526	2.7
109.10140	37.6
111.04422	2.6
111.07349	1.9
111.08067	22.9
111.11699	13.0
113.09649	2.7
116.99487	4.3
119.08598	7.3
121.02879	2.8
121.10130	21.0
123.11691	35.0
125.09621	3.7
125.13248	3.2
127.11192	2.3
129.12788	1.6
131.08441	1.2
133.10110	6.1
134.99673	1.8
135.11670	15.2
137.05959	1.7
137.09607	3.1
137.13229	16.5
139.11183	6.0
141.12694	2.0
143.08569	1.2
145.10127	3.1
147.04524	1.2
147.11684	5.6
149.09538	1.7
149.13239	30.0
151.03857	1.7
151.14793	3.9
153.12711	7.0
155.08643	1.0
161.13235	3.8
163.14793	12.1
165.12791	1.3
167.14325	4.6
171.11627	1.5
173.09514	1.7
174.99147	8.1
175.07529	1.4
177.16350	5.4
179.08461	1.6
181.06465	1.3
181.15804	1.0
189.16362	2.5
190.95404	3.0
191.17953	2.8
193.19489	1.0
195.07991	1.2
195.17438	2.1
203.18008	1.7
205.19481	1.5
206.07303	1.3
207.08069	2.3
208.96399	1.7
209.19043	1.5
211.07489	1.2
213.18373	2.0
217.19432	2.2
221.09676	1.2
221.19009	1.4
222.06624	1.2
223.07599	1.4
225.09189	1.4
227.20000	1.4
232.96480	1.5
237.09000	1.3
238.06493	1.1
238.09944	1.6
239.06918	1.7
240.07890	1.2
247.24141	1.3
249.09154	1.3
250.97543	2.6
253.08549	5.4
253.12051	1.2
257.88861	1.2
261.25748	1.4
267.09540	1.9
269.08017	1.8
273.25726	3.7
279.26733	3.0
281.08264	1.2
281.11639	2.2
284.10516	1.3
285.10068	2.5
291.26776	11.5
295.09653	3.2
297.27875	9.5
309.27811	19.8
310.11145	1.7
327.04895	5.9
327.12158	14.5
327.23297	2.4
327.28769	12.5
328.12640	1.9
328.24487	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	9.0
67.05483	21.6
69.07041	9.1
70.41175	5.1
79.05481	14.0
81.07052	50.8
83.08608	6.8
89.06007	6.0
91.05469	19.6
91.42445	6.0
93.07023	26.2
95.06043	6.8
95.08595	32.2
98.98451	100.0
105.07056	34.2
107.08597	33.0
109.10132	25.8
110.12796	5.3
116.99493	8.3
117.06980	14.1
119.08560	19.7
119.64642	6.9
121.10120	17.0
123.11714	7.4
129.06987	5.9
130.07690	6.6
131.08540	19.3
133.10075	23.2
135.11661	11.5
136.86731	5.3
137.86475	5.9
139.07365	6.2
143.08577	5.9
145.10109	17.9
147.11653	18.6
149.13228	9.9
157.10144	19.4
159.11665	40.3
161.08234	6.7
161.13234	9.4
171.11591	7.5
173.13242	14.8
174.99146	17.9
185.13229	9.9
189.16296	7.0
199.14757	12.1
201.16370	9.6
211.14769	10.5
213.16431	11.2
227.17929	12.4
239.18002	7.7
253.19510	18.9
267.21133	7.9
271.20511	8.8
309.25711	96.9
327.16641	6.6
327.26813	89.5
328.27170	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	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
55.05260	1.7
55.05504	19.6
56.96559	3.4
57.02858	1.5
57.07074	8.3
59.04993	3.1
67.05499	25.8
69.03403	3.4
69.07063	33.2
70.93430	2.8
70.93784	3.9
71.04965	5.3
71.08624	2.9
71.81927	1.4
73.06551	2.4
74.09089	1.7
79.05471	9.5
81.07049	49.8
83.04992	2.1
83.08615	21.7
85.06532	6.5
89.05978	2.4
91.05468	4.7
93.07034	22.9
94.07369	1.4
95.04958	2.7
95.08601	62.3
97.06525	5.6
97.10138	8.1
98.98457	100.0
99.08141	2.4
101.05946	2.0
105.07021	9.2
107.08588	20.1
109.10150	21.6
111.08073	33.3
111.11707	4.7
112.08394	1.9
113.09617	2.0
115.05357	1.6
115.07530	2.9
116.98676	1.9
116.99487	4.3
119.08600	7.6
121.10122	12.8
123.11703	18.9
125.09616	5.1
125.13280	3.2
131.08511	1.7
133.10123	6.2
134.99623	2.0
135.11684	6.1
137.05997	1.7
137.09586	2.4
137.13239	8.5
139.11194	2.3
145.10104	2.8
147.11696	4.7
148.94411	1.6
149.13235	19.8
151.03888	1.9
153.01822	6.9
155.08516	1.6
155.48613	1.4
158.31305	1.6
161.13228	2.8
163.14786	4.5
165.16327	2.2
167.14320	8.5
171.11646	1.8
173.13217	1.4
174.99228	12.0
189.16299	3.2
190.95404	8.5
191.17769	1.8
203.17896	2.2
208.96480	6.3
217.19531	1.9
231.03302	2.7
232.96385	7.2
250.97545	4.2
255.98149	2.2
273.19177	1.4
273.25668	3.3
279.26712	4.3
280.94974	1.6
291.26773	5.6
309.27939	13.8
327.23331	1.5
327.29175	6.9
327.61896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.05503	13.4
56.71494	2.7
57.03444	3.8
57.07067	8.1
65.03928	4.1
67.05497	36.0
69.03410	5.3
69.07059	22.9
71.04971	5.4
72.08141	7.1
72.33511	2.7
79.05478	33.9
81.03413	6.5
81.07037	38.5
83.08600	8.3
85.06522	3.8
91.05466	53.6
93.06459	5.8
93.07027	85.4
95.04955	100.0
95.08587	61.8
97.06514	18.6
98.98448	94.9
103.05455	4.1
105.06376	5.2
105.07021	73.2
106.39024	2.5
107.04945	3.6
107.08584	47.5
109.06494	14.3
109.10136	26.7
111.08115	3.1
115.05487	5.7
116.06213	2.8
117.07007	21.7
119.08566	82.7
120.08860	3.0
121.06483	21.5
121.10120	37.8
121.10922	4.0
123.08057	12.9
123.11681	4.3
129.06995	12.5
130.07767	10.5
131.08539	32.6
133.06496	3.7
133.10110	56.2
135.08073	14.3
135.11670	14.0
137.09601	5.2
141.06956	3.5
142.07747	17.2
143.08511	25.7
144.09314	8.2
145.10104	51.8
147.11656	18.9
149.09636	7.3
149.13213	3.8
151.11198	4.5
152.06213	3.5
153.07005	5.2
154.07825	3.2
155.08545	10.3
156.09315	10.9
157.10103	42.8
158.10904	7.7
159.08049	3.9
159.11668	45.1
161.09662	18.4
161.13274	9.3
168.09344	4.8
169.10097	17.1
170.10884	4.8
171.11639	23.6
172.12428	3.5
173.09641	4.4
173.13243	15.5
174.99210	11.9
175.14825	18.4
179.08539	4.8
179.98187	2.8
181.10075	11.4
182.10883	3.7
183.11652	14.0
185.13260	11.4
187.11198	7.9
187.14810	16.2
189.16389	5.0
193.10123	3.6
194.10890	3.3
195.11606	6.3
196.12471	3.2
197.13240	13.4
199.14798	13.7
201.16350	4.4
205.15894	4.0
207.11682	6.9
209.13254	10.4
211.14816	11.6
215.14250	4.0
217.15904	6.4
220.12361	3.1
221.13237	7.4
223.14803	6.5
225.16335	5.3
227.14227	5.6
229.36086	3.3
232.96384	3.6
233.03508	4.9
233.13216	3.8
235.14751	7.3
241.15974	3.8
243.17380	4.3
250.97517	4.3
253.15819	4.2
267.20627	3.0
291.20950	6.5
309.22101	7.4
310.31165	6.0
327.07611	15.5
327.22934	19.8
327.33627	7.6
328.07928	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.05497	3.3
57.07059	5.3
62.05321	1.7
65.03930	1.4
67.05481	6.3
69.07065	7.4
69.07365	1.5
69.94167	5.6
69.94586	2.0
71.08598	5.9
72.08147	20.5
79.05470	4.0
81.07046	9.2
83.08581	5.1
85.10142	2.5
91.05486	3.3
93.07017	7.1
95.04944	8.9
95.08603	10.7
95.75830	1.3
97.10159	2.1
98.98456	100.0
99.08067	3.6
105.06993	4.3
107.08574	6.5
109.10115	4.2
116.99464	4.3
119.08542	4.4
121.10070	2.6
123.08046	1.7
131.08476	2.1
135.11719	2.6
145.10118	1.8
147.11656	2.0
151.11267	1.5
152.06212	10.9
153.06981	7.6
159.11650	1.9
160.95538	1.9
161.13243	1.8
165.12708	2.8
168.05672	2.8
171.11659	1.5
174.99203	11.2
190.95377	5.3
199.14723	1.8
208.96478	3.5
215.02512	1.7
228.09236	2.4
232.96440	3.6
233.03619	8.6
250.97517	3.6
250.99899	1.9
251.04625	4.6
280.94940	2.3
291.23053	5.3
309.24185	33.7
310.31024	16.6
327.07809	33.1
327.19345	2.1
327.22989	2.9
327.27014	1.9
327.33667	16.8
328.08124	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	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22073	2.7
52.93395	2.6
53.03941	4.9
55.01863	3.2
55.05505	19.2
57.03419	4.4
57.07066	21.2
59.05005	3.3
62.82544	2.4
65.03917	3.0
67.05500	42.2
69.03419	4.0
69.07063	21.3
69.72474	17.9
71.04994	6.0
71.08620	14.3
72.08148	100.0
77.03969	2.9
77.72682	2.7
79.05487	25.5
80.06709	2.3
81.03408	3.0
81.07046	39.8
83.08618	10.8
85.06544	5.5
85.10162	5.1
89.10785	3.9
91.05473	51.4
93.07035	86.6
95.04962	88.3
95.08601	77.2
96.05276	2.4
97.06524	20.7
98.98459	85.7
98.99117	4.9
103.05441	5.3
105.04528	2.5
105.07023	68.1
107.04963	3.6
107.08583	45.3
109.06510	14.9
109.10141	33.3
115.05423	4.9
116.06289	2.8
116.99503	4.9
117.07000	22.4
119.08569	67.5
121.06487	21.1
121.10125	37.6
123.08054	11.9
123.11720	11.3
128.06221	7.3
129.06985	11.6
130.07831	6.7
131.08565	30.9
133.06534	5.5
133.10121	54.2
135.08037	17.7
135.11690	15.3
137.09615	7.2
141.06992	3.5
142.07751	13.7
143.08557	23.3
144.09326	10.3
145.06419	5.4
145.10115	50.6
145.11244	2.7
146.07164	2.9
147.08040	6.2
147.11676	18.1
149.09558	7.1
150.30257	2.4
151.04391	2.7
153.06963	4.0
155.08562	9.9
156.09349	7.4
157.10115	36.1
158.10910	5.0
159.08090	6.3
159.11691	50.8
161.09621	20.9
161.13252	7.5
164.53339	2.4
167.08510	3.9
168.09348	4.7
169.10114	20.3
170.10890	4.7
171.11655	17.1
172.12552	3.7
173.13252	21.5
174.99196	12.0
175.14821	22.2
179.08600	5.0
181.10152	5.5
182.10907	4.8
183.11688	12.2
184.12453	3.4
185.13271	10.4
187.11168	8.7
187.14824	16.9
193.10115	4.3
194.10896	6.0
195.11685	4.5
197.13318	13.2
199.14827	13.3
201.12773	3.0
201.16362	4.2
207.11665	3.3
209.13326	8.2
210.13881	2.6
211.11166	3.5
211.14795	7.2
213.16403	4.3
215.14316	5.2
217.15880	8.0
220.12515	3.0
223.14778	3.6
224.15569	3.4
225.16368	9.4
229.15901	3.0
235.14816	6.9
239.17876	4.3
239.23582	3.3
248.26563	3.3
253.15913	3.4
253.19482	3.5
256.26364	7.4
263.18155	3.4
291.21097	4.8
309.22067	8.5
310.31021	60.6
327.07947	6.9
327.23199	23.5
327.33691	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2162
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03933	2.0
55.01854	3.3
55.05506	17.4
57.03423	4.2
57.07050	1.9
59.04969	1.6
67.05493	13.2
69.03429	2.7
69.07066	9.0
69.97383	5.7
71.04969	3.0
79.05471	10.7
81.03436	3.2
81.07050	22.6
83.04961	5.3
83.08604	13.3
85.06506	6.2
85.78221	1.2
91.05486	6.7
93.07041	10.7
95.04950	3.9
95.08583	11.7
97.06523	3.9
97.10159	25.1
98.98454	100.0
99.08096	2.2
105.07012	7.6
107.04890	1.9
107.08585	13.1
109.06473	2.6
109.10124	7.7
111.04412	1.8
111.08035	2.9
116.98624	2.4
116.99474	4.4
117.06991	1.8
119.08586	7.7
121.06517	1.8
121.10129	7.4
123.08064	11.6
123.11635	1.7
123.19489	1.5
125.09618	18.3
129.07022	1.6
131.08527	4.8
133.10136	6.1
134.99657	2.2
135.08023	4.0
135.11661	4.2
137.05989	1.5
139.11168	2.1
140.01060	1.8
141.07025	1.3
143.08493	1.8
145.10075	6.2
145.63306	1.6
147.11659	4.4
149.13225	3.7
151.14845	1.2
157.10112	4.2
159.11699	2.5
161.13248	2.6
163.11203	2.4
163.14777	1.9
171.10165	2.2
171.11633	2.6
172.94391	1.8
173.13263	2.3
174.99207	9.5
175.14796	4.8
177.00630	1.2
177.12642	1.3
177.16199	1.8
185.13179	1.7
187.14648	2.1
189.11208	25.9
189.12775	1.7
189.16309	2.0
190.95407	8.7
203.14281	1.8
203.17944	1.6
208.96442	4.0
213.16344	3.5
231.03227	2.3
232.96478	6.6
237.14908	1.7
250.97504	6.2
250.99841	1.5
273.18533	3.8
280.94830	1.7
291.19498	17.7
301.36591	1.4
309.20547	7.8
309.25803	1.9
327.23227	3.0
327.26828	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	327.2158
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03934	1.8
55.01853	7.0
55.05304	1.6
55.05505	16.9
56.96547	4.4
57.03417	5.7
65.03918	1.7
67.05492	26.3
69.03407	4.5
69.07063	18.1
69.58160	1.3
71.04978	5.3
71.48383	2.3
71.48711	1.6
74.29767	1.7
79.05488	19.0
81.03393	4.2
81.07047	39.1
83.04968	7.6
83.08614	11.8
85.02907	2.5
90.42575	1.6
91.05472	21.8
91.56723	1.4
93.07032	22.7
95.04956	12.2
95.08588	22.3
96.93240	1.8
97.06510	8.3
97.10143	2.1
98.98453	100.0
99.08099	12.0
105.07030	22.4
107.04932	5.4
107.08583	17.8
109.06493	5.1
109.10128	6.8
111.04475	2.1
111.08062	9.7
113.05957	1.6
113.09633	2.0
116.99511	4.0
117.06971	6.5
118.73840	1.5
118.87466	1.4
119.08569	14.1
121.06484	3.1
121.10127	21.4
123.04305	1.4
123.08041	7.9
123.11706	1.9
125.09573	4.1
129.09091	3.1
131.08545	9.7
133.06450	1.5
133.10092	14.5
135.08038	3.5
135.11673	7.1
137.09592	5.1
139.07513	2.2
139.11159	6.5
143.08533	3.0
145.10092	5.3
147.08086	2.0
147.11649	4.3
149.09613	8.6
151.11140	4.9
153.09093	2.8
157.10071	3.0
159.11589	2.3
160.95439	2.0
161.09633	7.7
163.11082	3.7
167.10690	7.8
171.10249	2.5
171.11687	2.8
172.94325	2.9
174.99190	9.3
175.11241	3.7
179.10660	6.1
181.12204	4.8
185.11665	2.0
185.13179	1.7
187.11168	1.7
190.95409	7.2
193.12204	3.2
197.11658	3.0
208.96454	5.0
232.96378	5.7
235.13063	2.5
242.15280	2.5
250.97527	5.4
254.02780	1.7
263.20181	1.8
273.18457	7.8
280.94904	2.5
291.19531	15.2
309.20627	3.7
327.16055	2.5
328.19049	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	327.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.3
55.01855	2.4
55.05505	13.5
56.96580	1.6
57.07057	2.5
58.99573	2.3
67.05493	17.5
69.07052	15.6
69.50225	12.3
71.04989	2.1
73.01122	6.9
79.05483	18.1
81.06579	2.1
81.07045	35.9
83.04981	2.5
83.08598	7.8
85.01105	2.8
85.06519	1.9
87.02689	1.8
91.05475	13.7
91.10897	1.5
93.07027	15.1
95.04951	5.2
95.08592	12.6
97.01088	4.9
97.06509	3.2
97.10135	5.5
98.98456	100.0
99.02642	2.3
101.00565	2.2
103.05352	1.4
104.91476	1.4
105.07013	17.6
107.04925	2.7
107.08573	8.6
109.06495	4.2
109.10152	7.6
111.02643	4.2
111.08058	3.2
113.00565	4.1
113.04219	1.8
115.05781	50.1
116.98631	1.4
116.99474	5.7
117.07012	4.3
119.08568	8.4
121.10130	8.4
123.08039	6.2
123.11674	3.0
125.04190	4.6
125.09534	1.8
127.02151	2.0
127.05797	2.2
131.08542	4.4
133.10141	7.4
135.11684	2.1
137.04240	1.6
137.09602	2.7
139.05769	7.5
144.08623	1.5
145.10063	3.3
147.11658	6.7
149.09605	3.6
149.13219	3.4
153.07271	3.1
157.10223	1.4
159.11655	2.8
163.11147	4.7
165.12732	1.5
171.08430	2.4
171.11691	1.6
172.94345	2.4
173.13225	2.4
174.99226	14.0
175.11157	2.7
175.39873	1.5
179.08833	1.5
183.11781	1.8
184.82866	1.7
189.11201	2.1
189.12753	1.8
190.95363	9.8
208.96442	6.4
231.03357	2.2
232.96376	5.8
239.10992	3.3
239.17824	1.9
250.97485	5.7
250.99922	2.0
257.18915	3.1
275.20078	8.2
291.17725	6.4
293.20993	2.3
309.18823	14.9
327.19757	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	327.1223
Annotation	Egonol
Peak:m/z	Relative Intensity
50.31447	0.9
50.66924	1.0
54.02778	0.9
65.03943	1.6
71.58261	1.2
71.58647	1.6
79.05492	1.6
79.91344	1.1
81.07028	1.3
89.93753	1.2
91.05464	2.0
93.19511	1.0
94.04158	2.5
98.97847	2.1
98.98455	31.5
102.62622	0.9
105.07032	1.4
107.04907	1.0
107.51563	1.0
109.06463	1.3
111.04419	1.2
115.05449	4.7
116.99493	1.5
121.06399	1.0
122.03651	9.4
123.04459	1.4
124.56610	0.9
125.05957	1.0
131.04912	3.1
133.02774	1.7
133.06465	1.3
137.05965	100.0
143.04927	7.9
146.03636	2.4
151.03867	4.1
153.05464	1.8
160.05138	2.6
161.05968	3.9
163.07530	3.1
165.05447	4.1
165.06831	2.4
171.04515	2.1
174.99231	5.1
175.07516	9.8
177.05428	3.9
177.06909	1.4
178.07808	3.0
179.08525	3.4
189.06996	8.6
191.05473	1.9
191.07034	1.7
191.08606	1.0
194.07407	1.5
195.07982	1.2
197.05943	1.5
203.07011	3.2
205.06509	4.4
206.07248	9.7
207.08075	6.7
217.06438	5.3
218.07278	2.2
219.08055	1.5
221.05928	1.8
222.06734	1.6
223.07504	2.5
224.08231	2.5
225.05278	1.6
225.09096	2.9
233.05988	1.6
234.06729	25.9
235.07474	6.3
237.09068	4.5
239.10626	3.0
240.07813	10.5
247.17847	1.3
248.08374	1.6
249.09105	28.6
251.07043	3.5
252.07791	2.9
253.08621	4.3
262.06195	10.8
263.06998	3.5
265.08572	6.0
266.09262	3.9
267.10120	10.9
268.07291	8.4
268.10156	1.3
269.08142	3.1
270.08896	1.8
271.09631	1.9
277.08569	80.7
278.09109	2.9
281.08041	4.4
282.08817	2.2
283.09634	27.9
284.10208	2.6
285.11099	3.1
294.08871	3.6
295.09595	14.2
296.10294	3.0
297.11111	6.3
299.12677	9.0
309.11127	18.0
315.00156	1.1
327.12305	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2732
Annotation	14,15-Dihydro-14,15-dihydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.01868	5.2
55.05505	37.6
57.03427	8.1
57.07073	18.0
59.04996	3.8
61.26895	3.1
67.05500	36.1
69.03427	6.3
69.07063	98.2
70.84575	7.4
70.84909	3.1
71.04985	9.7
71.08609	5.9
71.16009	3.0
79.05468	17.1
79.35510	2.9
81.07053	100.0
83.08611	46.4
85.06544	11.3
87.04496	4.0
87.74800	2.8
91.05479	21.8
93.07039	93.4
95.04962	43.5
95.08601	93.0
97.06533	12.9
97.10152	17.2
99.08092	5.3
101.06022	4.0
105.07032	24.2
107.08601	43.6
109.06516	12.9
109.10149	56.2
111.08067	65.7
111.11731	7.4
119.08558	14.4
121.10139	57.2
123.08071	9.8
123.11701	31.0
125.09632	14.3
131.08607	4.6
133.10136	9.6
135.11708	15.1
137.13257	6.1
139.11209	20.8
145.10130	10.2
147.11665	15.7
149.09615	7.2
149.13255	33.2
151.11172	5.1
159.11710	12.1
161.13223	7.8
163.11130	4.4
163.14783	6.5
165.12733	6.0
167.10683	6.6
167.14323	9.6
175.14854	4.4
177.12767	6.9
179.17877	3.9
181.02339	3.0
191.17921	3.3
197.18962	3.8
209.18939	16.0
217.19388	4.7
235.20534	7.1
271.24258	6.4
289.25235	15.8
295.26312	5.8
298.45847	3.4
307.26154	22.0
325.27405	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03941	3.1
55.01860	3.2
55.05260	2.4
55.05511	35.6
56.98338	1.2
57.03451	6.2
57.07078	16.7
59.04995	4.6
65.03918	2.4
67.05505	30.0
69.03429	5.8
69.07067	97.3
69.39269	2.7
69.39666	10.8
71.05000	7.6
71.08644	3.5
73.06519	1.8
79.05487	16.6
81.07056	82.6
82.07402	1.7
83.04987	4.5
83.08617	36.2
85.06538	9.1
85.10192	1.5
87.04478	2.5
88.48571	1.3
91.05476	17.7
93.07041	100.0
95.04974	16.0
95.08603	72.1
97.06525	13.7
97.10163	15.4
99.08088	3.6
105.04503	1.6
105.07029	17.5
107.08593	25.2
109.06506	12.2
109.10153	43.0
111.08076	60.9
111.11727	7.9
113.09612	1.2
117.07034	2.0
119.08562	11.3
121.06516	3.2
121.10137	46.4
123.08080	8.7
123.11706	26.2
125.09632	13.7
125.13293	1.6
127.07498	1.4
127.11178	1.9
131.08562	4.5
133.10123	6.9
135.11671	11.8
137.09642	1.9
137.13266	5.5
139.11183	16.3
145.10085	6.9
147.11693	6.0
149.09622	6.0
149.13254	19.3
151.11192	2.8
151.14815	3.8
155.10674	2.4
159.11664	7.9
161.13208	6.0
163.11188	3.0
163.14799	3.5
165.12732	1.5
165.16402	2.3
167.10681	6.1
167.14342	6.5
173.13298	1.5
175.14844	5.6
177.12738	4.6
177.16451	3.0
179.17941	2.7
187.14819	2.4
189.16289	1.9
191.17958	1.6
195.13866	4.0
195.17439	2.0
197.19067	3.3
201.16354	3.9
203.17953	1.5
209.18980	13.2
215.18042	1.5
217.19464	2.6
235.20543	4.9
236.91367	1.2
249.21851	1.4
271.24191	6.1
277.25201	1.5
289.25305	6.3
295.26212	6.1
298.30322	1.3
302.24240	1.4
307.26300	16.4
318.40112	1.3
325.21643	1.7
325.27365	36.5
325.31036	2.8
337.01898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2732
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.44210	1.8
52.52195	1.9
53.03929	3.6
55.01852	4.8
55.05505	27.6
56.05018	1.8
56.93061	1.7
56.96551	3.6
57.03405	3.0
57.07063	12.8
59.04979	2.2
65.03906	1.9
67.05504	27.3
69.03416	5.1
69.07059	100.0
71.04974	8.0
71.08621	5.4
71.58771	3.1
72.54720	1.8
73.02892	1.6
73.06556	2.7
79.05495	14.1
81.03420	3.2
81.07046	99.5
82.07348	2.6
83.04971	9.2
83.08614	19.4
85.06533	15.3
91.05453	9.4
93.07032	39.2
95.04945	6.8
95.08595	60.7
97.06524	11.3
97.10151	4.0
98.97604	3.3
99.08080	6.9
101.05999	5.0
103.05444	2.4
105.07012	12.6
107.08589	29.7
109.06503	6.5
109.09436	3.5
109.10135	33.6
110.10479	2.8
111.08068	30.9
111.11705	20.2
114.58327	1.8
115.98573	1.9
119.08591	6.3
121.02753	1.9
121.10140	16.5
123.08034	2.6
123.11699	20.4
125.09612	3.3
129.06912	2.2
129.12773	2.3
131.08505	3.4
133.10117	9.7
135.11665	21.2
137.05974	2.3
137.09593	4.0
137.13251	14.3
139.11153	10.5
145.10117	4.1
147.11655	5.8
149.13205	8.4
151.11176	8.5
153.01782	6.2
153.12703	22.9
154.12248	7.8
155.14333	2.1
159.11667	4.6
161.13214	3.4
163.14841	4.0
165.12755	6.0
169.12268	3.4
171.14992	3.5
175.14806	3.7
177.16454	2.2
180.07631	1.6
181.12248	3.2
189.16377	2.5
195.01823	2.1
265.08301	2.2
271.24274	2.6
289.25220	8.7
295.26132	2.3
302.04089	2.2
307.26346	23.6
317.06534	7.9
324.74832	1.8
325.10724	4.5
325.21594	2.7
325.27444	9.3
344.03094	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2733
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03940	4.0
55.01865	4.6
55.05246	3.3
55.05503	31.0
57.03436	6.8
57.07065	15.3
59.04989	4.9
67.05494	27.1
67.92228	2.2
67.97321	2.2
69.03420	6.0
69.07061	86.2
71.04979	8.8
71.08617	7.1
71.11916	4.4
79.05478	21.3
81.07047	82.8
83.04959	4.9
83.08619	35.3
85.06541	7.6
85.10152	2.6
91.05452	15.1
93.07034	100.0
95.04950	19.0
95.08595	80.2
97.06519	12.8
97.10168	14.9
99.08066	5.9
105.06358	3.2
105.07016	20.3
107.08585	29.0
109.06496	11.8
109.10143	45.8
111.08065	72.6
111.11707	6.0
119.08580	12.1
121.09297	4.3
121.10130	53.0
123.08056	9.7
123.11687	32.0
125.09581	11.9
131.08543	5.3
133.10135	7.0
135.11671	10.4
137.13237	5.7
139.11166	21.4
145.10127	6.3
147.11678	5.9
149.09575	7.1
149.13223	23.0
151.11136	3.0
151.14783	4.1
155.10699	2.3
159.11691	9.4
161.13264	7.3
163.11172	4.9
163.14816	5.1
167.10658	6.7
167.14342	9.6
173.13249	3.3
175.14786	2.9
177.12737	3.2
177.16335	3.1
179.14345	2.8
179.17838	5.9
187.14746	2.3
189.16418	2.6
191.17958	5.7
195.13812	3.5
197.18954	4.5
205.19524	3.0
209.19000	17.5
215.17906	4.4
217.19568	3.1
235.20558	6.2
271.24271	8.5
289.25363	11.0
295.26270	8.2
307.26309	18.0
325.27322	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.01862	8.9
55.05299	3.5
55.05510	41.5
56.96570	3.9
57.03413	9.9
57.07061	16.3
65.03941	5.9
65.59042	4.1
67.05499	46.2
69.03411	7.5
69.06715	7.4
69.07060	91.0
69.88744	25.9
71.04990	9.9
71.08627	8.3
73.06545	4.8
79.05483	30.1
81.03397	12.2
81.06573	6.4
81.07045	95.3
82.84172	4.1
83.04948	5.9
83.08607	51.7
85.02898	6.7
85.06532	10.4
85.29090	4.7
87.04435	6.1
91.05483	35.6
93.07029	93.2
95.04961	73.8
95.08597	100.0
97.06510	14.2
97.10181	20.1
98.21443	4.7
98.97584	4.9
105.07021	31.9
107.08591	61.3
109.06503	15.9
109.10142	50.5
111.08071	56.8
111.11699	9.4
116.98597	6.5
119.08554	27.6
121.10131	48.5
123.08076	10.5
123.11695	37.9
125.09624	12.3
125.13335	4.6
127.45667	3.8
129.06972	4.3
131.06845	3.9
131.08511	10.9
133.10095	16.3
134.99658	12.5
135.11679	13.3
135.79590	4.3
137.09583	7.7
137.13275	8.3
139.11162	6.6
145.10077	14.8
146.97392	4.1
147.11670	15.7
149.09604	11.7
149.13243	38.7
151.14781	5.8
154.35178	4.4
159.11668	18.3
161.13258	14.3
163.11215	9.4
165.08937	4.3
167.10646	6.8
167.14264	13.9
173.13206	7.3
177.12738	6.2
177.16444	7.1
187.11263	7.4
201.16451	5.6
209.18970	10.6
235.20650	7.0
271.24203	12.4
289.25131	21.1
307.26349	29.0
320.44302	6.6
325.13144	21.3
325.27692	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59134	12.4
55.05502	53.1
56.96564	20.2
57.07057	18.8
58.81654	11.4
67.05502	92.0
69.07061	67.2
71.04987	32.1
71.08616	12.1
71.59794	16.7
79.05483	51.6
81.07046	100.0
83.04976	21.0
83.08604	32.7
85.02933	12.4
85.06528	14.9
91.05480	66.9
93.07024	82.3
95.04959	32.7
95.08589	80.7
97.06525	16.0
97.10137	20.6
101.81852	13.7
105.07030	75.6
107.08575	65.5
109.06512	38.0
109.10144	43.9
111.08093	23.2
116.98575	16.8
117.06992	22.1
119.08578	50.4
121.10125	48.6
123.11652	18.7
125.09609	27.2
131.08569	28.8
133.10129	56.1
135.08022	16.9
135.11613	21.8
137.09627	17.3
145.06467	15.0
145.10124	52.4
147.11716	37.3
151.11154	13.0
157.10135	30.6
159.11687	29.6
161.13283	19.4
173.13239	15.9
195.55673	12.0
197.13277	15.2
225.23761	14.9
251.16403	21.1
275.20071	71.1
289.18106	17.7
289.21576	28.1
302.16208	16.6
307.22812	36.6
311.44150	24.1
326.16504	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	325.2731
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03937	7.2
55.01862	8.9
55.05299	3.5
55.05510	41.5
56.96570	3.9
57.03413	9.9
57.07061	16.3
65.03941	5.9
65.59042	4.1
67.05499	46.2
69.03411	7.5
69.06715	7.4
69.07060	91.0
69.88744	25.9
71.04990	9.9
71.08627	8.3
73.06545	4.8
79.05483	30.1
81.03397	12.2
81.06573	6.4
81.07045	95.3
82.84172	4.1
83.04948	5.9
83.08607	51.7
85.02898	6.7
85.06532	10.4
85.29090	4.7
87.04435	6.1
91.05483	35.6
93.07029	93.2
95.04961	73.8
95.08597	100.0
97.06510	14.2
97.10181	20.1
98.21443	4.7
98.97584	4.9
105.07021	31.9
107.08591	61.3
109.06503	15.9
109.10142	50.5
111.08071	56.8
111.11699	9.4
116.98597	6.5
119.08554	27.6
121.10131	48.5
123.08076	10.5
123.11695	37.9
125.09624	12.3
125.13335	4.6
127.45667	3.8
129.06972	4.3
131.06845	3.9
131.08511	10.9
133.10095	16.3
134.99658	12.5
135.11679	13.3
135.79590	4.3
137.09583	7.7
137.13275	8.3
139.11162	6.6
145.10077	14.8
146.97392	4.1
147.11670	15.7
149.09604	11.7
149.13243	38.7
151.14781	5.8
154.35178	4.4
159.11668	18.3
161.13258	14.3
163.11215	9.4
165.08937	4.3
167.10646	6.8
167.14264	13.9
173.13206	7.3
177.12738	6.2
177.16444	7.1
187.11263	7.4
201.16451	5.6
209.18970	10.6
235.20650	7.0
271.24203	12.4
289.25131	21.1
307.26349	29.0
320.44302	6.6
325.13144	21.3
325.27692	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.05510	39.3
57.03427	8.3
67.05502	87.6
69.03421	8.8
69.07044	34.8
70.16762	7.4
71.04984	68.0
71.59731	10.8
73.06530	11.7
73.51387	9.6
79.05492	47.3
81.07043	100.0
83.08602	25.1
85.06503	8.9
86.00125	7.2
91.05476	42.5
93.07030	62.9
95.04948	28.4
95.08588	62.5
97.06503	17.6
105.07011	51.6
107.08559	42.5
109.06490	14.6
109.10180	40.0
111.08038	12.8
117.07003	8.8
117.98972	7.7
119.08570	36.5
121.10107	36.3
131.08531	25.9
133.10098	23.5
134.49332	8.7
135.08046	18.3
135.11652	14.0
145.10110	26.7
147.11696	20.7
149.09583	16.6
157.10126	11.8
159.11624	15.9
163.11157	20.1
173.13264	14.6
183.11559	8.8
225.16277	8.8
257.18994	20.5
275.20016	84.3
289.21643	10.2
293.21078	23.4
307.22635	53.9
325.24863	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	325.2003
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03928	5.3
55.01860	4.1
55.05505	16.9
57.03421	6.9
57.07056	4.6
65.03905	3.0
65.34097	1.5
67.05495	23.4
69.03411	3.1
69.06717	2.5
69.07063	33.1
69.70644	11.8
71.04981	5.0
71.08602	1.7
79.05487	33.8
81.03398	3.4
81.07047	100.0
83.04965	6.1
83.08611	13.4
85.06531	4.2
91.05472	18.2
93.07034	45.5
95.01303	2.9
95.04950	11.9
95.08595	42.4
97.06499	9.8
97.10152	7.1
99.08098	2.4
105.07004	13.9
107.04916	2.3
107.08563	19.0
109.06509	50.4
109.10134	22.8
111.08056	21.8
111.11687	3.3
111.70690	1.7
117.07032	2.7
119.08593	9.3
121.06512	3.1
121.10126	28.5
123.08040	7.2
123.11707	10.3
125.09615	4.8
131.08565	7.5
133.10135	8.5
134.99631	2.2
135.08015	4.3
135.11681	3.9
137.09622	2.3
139.11151	10.5
141.09053	2.0
143.08511	2.1
145.10115	6.2
146.97423	2.4
147.11649	3.9
149.09598	6.6
149.13237	6.6
151.07559	2.0
151.11122	2.6
151.14871	2.0
157.10057	2.7
159.08037	2.0
159.11659	3.9
161.09619	3.3
163.11153	2.0
165.12776	1.7
167.10689	7.0
167.14279	4.0
173.09644	2.5
177.12558	1.7
177.16272	2.0
179.18008	2.3
187.11134	3.9
195.13812	2.2
209.19098	3.9
209.63394	1.6
232.35710	1.6
235.20442	3.3
259.24207	1.6
261.18420	3.0
289.17947	6.4
289.25146	2.5
295.26443	2.2
307.18784	2.9
307.26367	6.5
325.20197	6.0
325.27548	14.2
329.18494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2157
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
52.20005	4.6
55.01862	6.8
55.05499	12.1
57.07054	5.4
59.42122	3.9
67.05512	21.5
69.03417	10.5
69.07049	12.6
71.04978	5.6
71.59317	6.4
77.75369	3.9
79.05486	31.9
81.07055	26.6
83.04967	11.8
83.08597	8.2
91.05463	30.6
93.07031	33.5
95.04957	83.9
95.08601	26.6
97.06525	14.4
105.07018	45.6
107.04930	5.2
107.08578	27.2
109.06474	15.7
109.10145	18.9
115.05375	4.9
116.61536	3.7
116.98611	4.4
117.07025	16.4
119.08572	46.6
119.54221	4.0
121.06526	11.1
121.10131	17.5
121.19747	4.0
128.06239	8.5
129.06947	9.3
130.07726	5.3
131.08565	19.6
133.06482	7.8
133.10124	19.7
134.99591	4.7
135.08044	65.7
135.11667	8.9
136.08376	41.2
137.05867	4.7
137.09636	8.5
142.07774	20.8
143.08543	27.6
144.09331	7.7
145.06429	4.9
145.10106	46.9
147.08034	5.1
147.11665	7.0
149.09596	10.7
155.08521	14.2
156.09302	10.4
157.10123	43.3
159.07982	9.5
159.11646	23.3
161.09592	13.6
165.07030	6.2
167.08556	8.6
168.09215	4.3
169.10126	24.0
170.10725	4.8
171.11659	28.9
172.08878	4.2
173.09561	15.8
173.13248	7.1
179.08548	12.9
181.10130	16.0
182.10919	6.8
183.11673	17.4
184.12053	4.2
185.09566	8.0
185.13220	6.8
187.11125	16.4
187.14781	12.6
189.12822	4.8
193.10049	12.6
194.10866	7.9
195.11655	17.6
196.12431	5.4
197.13229	17.3
198.13875	5.1
199.11121	8.8
199.14909	5.6
201.12720	5.9
206.10921	4.4
207.11713	15.3
208.12340	10.5
209.13171	18.7
211.14833	8.3
221.13229	7.9
223.14775	25.4
225.12708	5.3
225.16347	12.1
232.12537	4.3
233.13126	6.9
237.16254	4.9
239.18069	5.0
241.15793	11.6
249.16408	9.4
251.14273	11.5
267.17429	9.7
269.15332	8.6
281.18890	5.2
297.22183	6.3
307.20505	21.4
325.15546	5.5
325.21463	100.0
325.28894	5.6
326.22186	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	325.2368
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05504	16.5
57.07084	4.0
67.05506	16.6
69.03423	4.5
69.07064	16.6
71.02303	5.4
71.04977	5.2
71.08627	18.9
79.05486	10.2
81.07050	23.7
83.08615	6.4
85.06573	2.8
91.05465	5.3
93.07020	14.9
95.04949	11.6
95.08598	20.5
96.32784	2.2
97.06463	4.2
99.08081	23.2
105.07020	7.8
107.08583	9.3
109.06507	22.9
109.10152	6.1
111.04444	2.3
111.08100	2.3
117.34297	2.1
119.08586	7.2
121.06522	10.3
121.10140	6.5
121.62870	2.1
123.08073	4.5
123.11694	2.6
131.08545	4.2
133.10106	3.7
135.08037	7.4
135.11630	2.5
137.09636	2.8
139.11174	5.7
141.09090	2.3
145.10132	3.8
147.08038	2.8
147.11693	5.1
149.09604	3.6
157.10030	2.2
161.13240	3.4
163.11107	3.5
165.12752	48.7
173.13257	4.4
177.12740	4.3
181.15878	16.2
191.14261	3.0
201.21172	2.3
251.16435	4.5
261.22092	26.2
271.20627	2.9
275.19846	2.3
279.23279	7.2
289.21600	52.1
307.22629	100.0
308.22977	4.2
325.76340	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03949	2.5
55.01855	10.4
55.05497	11.2
57.03417	5.2
67.05497	33.6
69.03420	5.5
69.07059	24.1
71.04980	6.6
71.59595	4.1
79.05482	19.5
81.03409	2.9
81.07047	42.4
83.04977	6.5
83.08589	3.7
85.02900	2.6
85.06525	7.2
91.05469	23.8
93.07030	18.3
95.04953	15.1
95.08591	13.9
97.06521	100.0
97.10150	3.2
98.09454	2.2
99.04402	3.2
105.07020	20.0
106.92413	2.1
107.08576	21.1
109.06514	7.8
109.10138	37.7
111.04466	2.5
111.08064	4.4
113.05989	7.8
116.43368	2.1
116.98549	3.7
117.07037	5.4
119.08566	7.5
120.06476	2.1
121.06477	5.0
121.10130	6.0
123.08057	3.5
123.11675	3.8
127.07568	2.4
129.06967	2.5
131.08557	6.2
133.10106	35.8
135.08026	4.5
135.11658	4.7
145.10103	4.5
145.21017	2.9
145.22272	2.4
147.08014	2.4
147.11632	4.4
149.09612	3.2
149.13281	4.1
151.11172	16.5
159.11700	2.2
161.09679	2.7
163.14809	3.0
169.12241	4.9
169.99026	2.5
211.13289	2.5
221.11691	5.1
243.17520	3.2
261.18478	5.0
271.17035	2.5
289.17941	17.0
293.19186	2.3
307.18997	8.3
325.20447	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11496	1.6
57.03415	7.4
59.04978	2.6
59.06107	2.6
59.28018	2.0
64.22943	1.6
69.03399	2.9
70.06590	3.3
71.01331	1.7
71.04977	5.4
71.08611	6.0
72.08148	3.6
79.05477	9.2
81.04551	1.7
81.07047	26.3
83.04846	1.9
83.06106	1.8
84.04476	3.2
85.02894	9.0
85.06539	4.6
87.09191	1.9
89.03918	1.9
91.05479	2.2
97.02876	2.4
99.08071	26.6
101.59324	1.6
106.15336	1.5
109.02869	2.7
109.06500	23.0
109.07647	2.3
117.03377	2.2
117.09116	100.0
119.04953	2.4
121.02808	2.2
127.03967	1.9
127.07542	45.5
129.09088	2.5
133.02834	5.2
135.04387	6.0
137.05956	3.1
139.06911	1.8
145.02818	5.4
145.06410	2.1
146.03223	1.8
147.04410	2.6
148.03891	2.0
150.76830	1.7
151.03967	2.1
163.03902	24.6
163.09657	7.0
164.04329	2.0
177.05440	4.7
178.05919	2.0
193.04962	2.7
262.04904	2.0
307.09583	2.1
325.12570	2.3
325.18579	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	325.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
55.05497	3.6
57.03452	3.9
67.05524	3.8
69.03417	24.5
70.74757	8.4
71.04984	3.8
73.02890	3.3
79.05484	7.9
79.87184	2.6
83.04981	6.9
85.02895	14.7
90.66285	3.0
91.05477	13.1
95.04957	9.4
99.49567	3.0
103.05453	22.7
105.07014	9.5
107.04957	19.7
111.04449	4.0
113.05976	14.2
113.45783	3.6
115.05447	7.6
117.07052	3.3
119.04945	6.9
119.08560	3.8
121.06508	2.9
122.03651	7.1
129.06975	2.9
131.04929	31.8
135.04373	3.7
137.05959	78.7
141.07021	4.4
142.75252	3.2
143.04840	3.5
145.06448	3.5
146.03564	4.4
147.04375	19.1
147.08109	4.9
149.05971	10.2
151.07549	15.7
160.05220	4.5
161.05954	18.7
162.06775	6.2
163.03987	3.3
163.07538	27.2
167.07028	13.2
169.06544	5.2
175.07542	11.2
177.05499	10.4
178.05878	3.0
179.07030	8.6
181.08575	4.3
187.07568	8.0
189.09151	4.7
190.07797	4.7
191.07034	9.3
199.07529	4.0
201.09087	13.4
205.10173	7.9
217.08459	5.5
218.07300	4.9
219.08150	4.5
229.08589	4.4
233.09671	12.2
235.07487	5.9
249.09224	5.7
250.09744	6.0
261.09088	9.7
265.08826	3.6
265.12274	12.0
277.08594	3.5
281.07953	3.2
281.11768	6.3
293.11752	25.2
295.09561	4.5
297.07626	4.9
297.11096	4.8
310.11960	6.2
325.10648	6.8
325.14310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80655	1.8
53.53890	1.6
55.05505	8.6
56.96546	1.9
60.05626	3.0
62.15847	1.4
69.03410	2.4
70.06565	4.6
71.16390	3.0
71.16730	2.0
72.08141	16.2
84.04516	1.9
85.02896	2.7
96.08146	1.8
97.07629	5.3
98.06046	37.3
113.10702	2.9
114.09138	4.0
114.10262	15.9
115.08673	16.0
117.03364	8.0
119.04898	2.3
131.12892	3.1
135.04359	1.7
145.02829	41.5
149.05942	3.6
151.07504	3.6
156.11305	2.4
157.10823	79.8
163.03871	6.0
164.07045	3.4
166.32750	1.7
173.13927	4.6
177.05444	100.0
178.05634	1.8
188.70351	1.8
216.20796	1.5
220.71001	1.6
236.10292	2.1
247.14407	5.8
248.12776	6.7
264.42886	1.5
265.15659	1.7
290.15057	9.3
290.17947	2.3
307.17560	35.0
325.08630	2.3
325.18643	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.139
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.28356	0.5
52.81829	0.4
56.96548	0.5
60.53209	0.4
65.31274	0.4
65.31706	0.5
69.03410	1.0
69.77615	0.4
70.83695	0.8
70.84053	0.9
73.02900	0.6
81.03419	0.5
82.19147	0.4
85.02894	1.0
91.05428	0.8
96.48121	0.4
97.02914	0.8
109.02943	0.5
117.05713	0.5
118.06531	4.0
119.25642	0.4
126.22939	0.4
127.03926	0.4
133.07602	3.9
145.07587	100.0
146.08365	2.0
147.09151	0.6
152.05614	0.5
153.01778	0.9
153.06375	0.5
163.08644	63.3
164.08897	0.6
193.08286	1.5
219.03471	0.5
229.83977	0.4
243.03937	0.4
325.13892	70.6
326.14236	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	1.8
55.78826	0.3
57.03435	2.5
59.05019	0.3
61.02917	0.7
69.03427	14.3
69.03807	0.7
69.52628	1.0
69.53056	1.3
71.01338	0.9
71.04991	5.3
73.02904	0.9
75.04428	0.3
81.03413	16.8
81.07031	0.3
83.04983	0.3
84.08115	0.8
85.02898	0.6
87.04447	0.4
88.97009	0.3
91.05463	1.0
95.04964	0.3
98.21468	0.6
99.04449	6.1
103.03933	0.8
107.08597	0.4
112.11239	0.6
116.04995	0.9
117.05466	1.7
118.06536	5.5
119.04921	0.6
135.04358	0.3
145.07602	7.4
147.04449	0.4
147.09164	8.4
162.07884	1.2
163.08675	1.2
164.06979	0.4
172.06328	0.3
173.07106	11.8
173.08612	0.6
175.03845	0.7
175.08681	5.7
177.05423	0.4
178.05809	0.5
185.07193	0.4
187.08679	0.3
191.08144	100.0
192.08548	1.4
205.09723	0.7
207.06477	1.1
208.06769	0.3
209.01318	0.3
213.10309	0.3
215.11777	0.5
231.11159	0.5
233.09102	1.4
240.58971	0.3
266.03983	0.4
271.10931	0.6
289.11795	2.2
307.12860	29.8
308.13098	0.7
325.07086	1.3
325.13910	19.1
326.14224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80812	2.6
56.96569	22.0
62.61147	2.9
65.26477	2.6
69.07075	2.7
69.62191	13.8
69.62600	5.7
71.05000	3.0
73.05378	2.3
79.05483	3.1
81.07057	6.1
91.05453	2.5
93.07009	3.8
96.08971	3.4
98.87591	2.9
98.97595	4.8
105.07000	5.0
116.98611	7.2
123.62732	2.9
128.98611	6.9
134.99596	3.9
141.13315	3.3
146.99657	8.8
165.00745	3.4
165.97974	2.8
177.00826	3.2
185.01254	6.2
192.72711	2.5
198.05716	3.1
199.02789	9.2
203.02289	3.9
203.05820	4.9
213.04259	6.3
213.07999	11.1
213.10843	2.9
214.15726	3.4
216.06557	3.4
217.03908	3.8
231.09126	13.1
239.09512	5.1
242.08168	4.8
243.09058	4.3
251.09550	6.5
257.10593	64.2
260.09256	4.2
269.10574	76.7
275.11594	45.5
280.12192	5.7
283.11984	21.4
287.11655	58.2
292.12137	9.2
293.53470	3.0
301.13205	100.0
310.13379	3.1
311.49048	2.9
319.14142	5.8
324.14880	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	325.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.3
58.81988	1.1
69.03404	1.3
70.18978	2.5
70.19371	3.3
72.08143	1.4
85.02878	3.9
97.02876	2.3
109.87221	1.0
116.98606	1.7
117.03377	1.8
127.03892	2.0
131.06927	1.4
133.68341	1.1
135.04378	2.4
137.02344	1.5
145.02818	2.6
147.04396	1.5
153.01833	2.8
157.10828	1.5
163.03836	8.3
177.00702	1.1
177.05515	1.2
179.03438	1.6
185.04158	2.2
189.64459	1.1
193.04727	1.1
193.08400	1.4
197.27342	1.1
325.08887	100.0
326.09225	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.3
57.03421	11.0
61.02913	12.0
64.74592	3.4
69.03417	37.4
71.06359	8.0
71.64368	3.7
73.02900	6.5
81.03382	5.6
85.02895	100.0
89.17496	3.2
97.02882	42.2
99.04447	7.3
101.02374	7.0
109.02864	6.1
115.03953	5.1
127.03902	72.9
132.95766	4.4
145.04958	37.8
163.06039	5.1
174.55356	3.1
174.96886	4.0
186.96815	3.9
218.66585	3.9
253.00093	5.4
263.45789	3.6
266.75314	3.8
332.05243	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	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39511	0.5
59.29497	0.4
63.02371	0.5
71.04958	0.8
79.05460	0.4
80.13451	0.4
82.12501	0.4
84.08126	1.2
89.03903	7.5
91.05453	2.3
107.05013	0.5
112.11213	1.7
117.03371	25.7
119.04938	2.0
130.04976	1.0
134.03619	1.6
135.04395	1.7
141.07805	0.4
145.02837	56.4
146.03200	1.0
147.04375	1.5
149.05972	8.5
153.00116	0.5
163.03912	1.0
175.03889	1.8
176.04411	0.5
177.05458	100.0
178.05811	2.7
186.05510	0.9
207.06561	2.1
338.53149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
72.53075	0.6
79.05518	0.7
81.07031	0.6
89.03911	10.4
91.05477	1.8
103.05486	0.8
105.06982	0.8
112.11275	0.7
117.03370	28.0
122.58691	0.8
134.03615	2.0
135.04382	3.3
145.02835	59.9
147.04457	1.1
149.05980	8.9
163.03899	1.2
175.03931	0.6
177.05455	100.0
178.05757	2.1
186.05457	1.5
196.34993	0.7
207.06479	2.0
211.55585	0.6
285.41306	0.7
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	Pacificanone A
Peak:m/z	Relative Intensity
50.60664	2.6
53.03942	4.9
55.01866	4.0
55.05505	23.4
57.03423	7.1
57.07070	8.8
59.05002	3.7
65.03948	2.2
67.05505	34.1
69.03430	6.4
69.07065	75.1
70.72313	7.4
70.73373	2.1
71.04982	12.4
79.05489	33.3
81.03418	2.3
81.07053	84.2
82.07375	2.2
83.04967	4.2
83.08613	12.8
85.06558	5.1
87.04448	2.4
91.05475	21.4
92.75953	2.1
93.07046	83.9
95.04963	24.9
95.08603	100.0
97.06515	13.7
97.10161	8.1
105.07024	28.3
107.08585	29.6
109.06525	10.4
109.10155	37.6
111.08092	7.9
111.11709	11.3
119.08567	17.5
121.10136	73.2
123.08051	12.1
123.11681	25.1
125.09563	10.6
129.64803	2.2
131.08554	11.1
133.10098	14.7
135.11702	10.5
137.09637	9.4
137.13235	11.3
139.11174	17.1
140.60715	2.1
143.08629	2.3
145.10127	7.2
147.11691	11.8
149.09612	12.7
149.13228	7.1
151.11226	7.5
155.10695	3.2
157.10159	3.6
159.11691	4.5
161.13216	6.2
163.14853	3.8
164.87096	2.3
165.12740	4.6
167.10661	21.0
173.13312	3.1
177.16347	2.5
179.89481	2.3
181.12268	2.6
186.51024	2.9
197.11731	2.8
200.36784	2.3
201.16429	2.6
213.88548	2.0
235.20612	4.7
259.24191	2.8
269.22641	5.3
287.23749	9.9
305.24869	14.6
323.25806	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	323.2581
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03935	4.1
55.05507	29.7
57.03428	9.2
57.07061	10.0
59.04998	4.2
67.05502	35.5
69.03413	8.1
69.07065	93.8
69.87274	12.8
71.04980	9.4
79.05489	31.5
79.77700	2.7
81.06575	4.5
81.07053	80.1
83.04958	9.1
83.08625	17.0
85.06540	3.6
91.05477	22.6
93.07038	100.0
95.04974	19.2
95.08604	93.5
95.09082	1.8
95.09222	3.3
97.06528	17.1
97.10173	9.2
98.20773	2.3
99.08065	5.0
105.07027	24.3
107.08585	42.6
109.06510	12.4
109.10159	33.2
111.08076	12.2
111.11699	10.2
117.06952	2.4
119.08571	15.2
121.06420	2.4
121.10132	92.5
123.08094	13.8
123.11706	19.7
125.09611	14.9
131.08554	14.2
133.10121	12.2
135.11685	10.1
137.09607	10.0
137.13260	7.9
139.11194	25.1
145.10088	2.9
147.11661	7.2
149.09636	18.1
149.13228	8.8
151.11174	6.6
153.12718	3.6
155.10716	4.3
157.10095	2.8
159.11674	7.1
163.14796	3.0
165.12689	4.8
167.10666	29.8
175.11263	2.6
175.14789	5.4
177.16298	3.2
185.11723	3.8
192.32509	2.1
193.12407	2.4
235.20509	5.0
245.41438	2.2
269.22598	3.9
287.23599	7.1
305.24728	15.3
323.25873	43.5
324.26212	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	324.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35932	1.6
55.01861	2.4
55.05485	2.4
56.96536	2.4
58.06587	7.0
61.02915	2.1
63.39323	1.8
65.03904	2.0
69.03412	4.0
70.06573	4.6
71.58936	2.0
72.08140	6.2
74.00709	2.3
81.07061	3.5
84.04485	5.3
84.08132	28.0
85.02880	7.9
86.08380	2.0
88.03990	3.3
89.03909	13.4
91.05462	14.1
92.02613	2.0
95.04976	3.2
97.02882	2.4
98.09681	3.3
98.50494	2.4
99.08106	2.7
103.05449	2.7
107.04951	3.3
112.11225	26.9
113.11573	2.4
117.03362	26.9
119.04932	17.5
120.02084	15.2
120.04485	2.5
120.05266	3.6
120.08104	4.2
121.02830	4.2
121.06493	4.5
127.07548	4.2
129.13875	15.4
130.04974	6.5
131.04800	2.4
133.02858	2.3
134.03546	2.6
135.04419	14.6
135.08003	2.0
137.05968	8.3
141.35056	1.8
145.02820	60.2
145.05052	2.0
146.03159	6.4
147.04395	18.7
147.14928	2.6
148.03918	8.0
148.07510	2.8
149.05975	10.3
155.11780	2.4
162.05493	31.6
162.09071	2.6
163.03879	20.8
167.07028	3.0
175.03883	19.8
175.13829	2.3
176.03342	13.0
177.03252	4.3
177.05452	100.0
178.02521	2.6
178.05870	13.5
191.03377	2.8
193.05072	3.9
202.04976	2.4
203.22321	3.5
204.06532	3.4
207.06503	33.2
208.05913	11.9
229.03908	3.1
234.07584	14.8
234.11218	3.0
235.11539	6.7
238.02968	2.4
260.05640	6.8
264.04999	6.1
274.03946	3.0
278.06531	5.6
306.06097	4.2
307.17258	3.9
324.06842	19.2
324.10629	4.4
324.19467	3.3
324.22922	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03930	3.8
55.01877	3.1
55.05500	20.4
57.03426	5.8
57.07061	8.5
59.04988	6.0
65.03931	3.2
67.05498	34.6
69.03426	7.3
69.07063	54.6
69.35538	16.2
69.35959	6.3
71.04980	8.6
79.05479	28.1
80.06297	2.2
81.07051	100.0
83.04967	7.4
83.08607	12.9
85.06529	7.7
91.05463	15.6
93.07036	66.6
95.04964	35.7
95.08596	90.5
95.09045	2.9
97.06529	11.2
97.10157	8.6
99.08074	4.4
105.07026	27.0
107.08586	34.2
109.06506	19.3
109.10147	26.7
111.08092	16.4
111.11702	3.9
119.08572	17.5
121.10133	59.0
123.08063	9.5
123.11707	33.1
125.09630	9.4
127.07526	4.0
131.08566	6.0
133.10120	13.7
135.11671	15.1
135.62181	2.0
137.09622	7.0
137.13239	23.7
139.11201	14.2
145.10106	10.0
147.11668	13.8
149.09637	7.3
149.13184	10.6
151.11255	2.9
153.12651	2.8
154.54526	2.1
157.10147	3.5
159.11671	10.8
161.13220	7.5
163.14888	4.2
165.12711	9.2
167.10667	12.4
173.13271	5.7
175.14813	3.5
177.16394	3.0
189.16388	4.8
199.14812	2.6
201.16278	3.2
202.23038	2.8
213.16359	4.0
217.19487	2.6
235.20476	4.3
257.22794	2.4
269.22699	7.8
287.23553	10.5
305.24759	16.3
323.12762	3.7
323.25775	26.4
330.21338	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	323.2576
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
55.01862	4.2
55.05507	31.7
57.03415	6.9
57.07053	8.3
59.04992	6.2
67.05174	2.5
67.05499	37.0
69.03413	6.6
69.07059	83.5
71.04972	8.6
71.08599	3.8
72.45101	2.3
79.05479	37.6
81.03394	2.9
81.07047	83.5
83.04946	5.8
83.08604	17.3
85.06516	6.9
91.05471	20.7
93.07032	97.7
93.07620	5.1
93.88557	2.4
95.04941	19.3
95.08593	100.0
97.06507	11.5
97.10125	14.4
99.08054	4.0
105.07018	31.6
107.08582	39.2
109.05777	2.2
109.06464	12.7
109.10133	35.4
111.08056	9.0
111.11693	8.3
117.06985	4.9
119.08574	16.0
121.06550	2.9
121.10130	76.3
121.11004	4.2
123.08057	12.9
123.11701	20.6
125.09595	15.4
129.06999	2.6
131.08537	11.6
131.94249	2.4
133.10098	11.6
135.11615	10.9
137.09601	10.7
137.13182	6.4
139.11166	23.5
145.10091	4.1
147.00784	2.3
147.11649	10.5
149.09625	12.7
149.13220	9.6
151.11169	7.0
153.12737	6.0
155.10643	5.2
157.10054	3.0
159.11676	6.4
161.13196	3.8
163.14793	3.7
165.12730	5.3
167.10660	26.0
175.11208	2.5
175.14835	2.7
206.41322	2.1
235.20560	3.7
236.79869	2.4
265.05206	2.8
269.22556	3.6
283.06317	16.5
287.23709	8.1
301.07269	3.7
305.24667	14.2
323.14664	5.8
323.25760	43.7
324.15262	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	323.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.9
56.96525	0.7
58.06597	8.5
60.05598	2.1
63.02348	0.8
66.21191	0.5
69.03396	0.8
69.07033	0.5
70.06583	5.8
71.48116	1.2
72.08147	5.1
73.06501	2.3
79.05451	0.7
83.59837	0.6
84.04459	1.4
84.08135	4.0
85.02854	1.3
86.09652	1.9
89.03901	6.7
90.09150	0.6
91.05415	1.4
97.02853	0.7
97.07553	0.7
98.06011	1.2
100.07581	1.3
102.09129	1.9
103.05473	0.7
103.22645	0.6
106.04131	0.6
107.04920	1.0
112.11195	2.6
113.07081	0.8
114.10285	4.1
115.05423	0.9
116.07034	2.2
117.03365	28.2
119.04932	1.4
120.08077	0.6
121.06535	0.6
127.78445	0.7
128.10747	0.8
130.06508	4.7
130.12256	20.6
131.12912	3.9
133.02797	3.1
134.03604	1.4
134.05994	0.9
135.04396	3.1
136.07486	0.7
137.05928	2.8
144.10150	0.8
145.02826	74.9
146.03140	1.0
146.05994	0.9
147.04370	2.2
147.14906	39.9
149.05952	9.6
151.03885	0.7
157.10794	1.9
158.05960	1.6
161.02333	2.6
162.03064	0.7
162.05446	1.6
163.03874	2.1
165.05402	1.0
167.06946	0.7
172.13333	4.5
173.12753	1.2
174.05544	0.8
176.03488	0.7
176.07062	1.4
177.05449	100.0
178.05836	1.6
185.68755	0.6
186.05525	1.4
189.01860	1.2
191.03355	0.8
193.04944	4.4
203.08571	1.0
207.06517	1.0
217.01236	4.3
224.87553	0.6
231.08290	0.6
232.09601	0.7
234.11223	34.5
235.02444	1.6
235.11407	0.8
245.00945	0.9
246.11229	0.9
248.08447	0.9
249.03995	1.7
250.04497	1.0
263.10748	1.2
273.00391	0.7
276.07925	0.7
277.08258	0.8
291.01434	1.3
291.10037	2.9
299.24814	0.6
305.02777	1.0
305.15869	1.3
306.13861	0.8
306.16965	23.7
306.20398	1.3
308.06912	0.6
323.04083	1.3
323.11008	4.2
323.19757	37.0
324.07574	0.7
333.90213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1486
Annotation	Eremofortin C
Peak:m/z	Relative Intensity
55.01864	0.4
55.05512	0.5
64.54882	0.3
67.05473	0.9
68.15001	0.3
69.03425	21.6
71.04957	0.5
71.59668	0.5
71.82494	0.3
73.00236	0.3
79.05467	1.0
81.07074	0.5
83.04964	0.7
89.57146	0.4
90.93768	0.3
91.05474	3.2
92.06247	0.5
93.07030	2.4
95.04965	2.7
95.08582	0.6
99.04421	0.5
103.05453	0.7
105.07015	1.1
107.04946	1.9
108.05711	0.8
110.07143	0.4
111.04430	5.0
115.05460	1.7
117.07004	1.3
119.04907	0.4
119.08517	0.8
120.05733	1.7
121.06491	6.2
122.05995	0.4
123.04455	0.4
123.08041	0.6
125.09618	0.3
128.06229	0.6
129.06987	1.4
131.04904	0.6
131.08553	0.4
131.54652	0.3
132.05675	0.7
133.06471	0.9
135.08022	1.0
136.05180	1.5
137.05936	1.3
138.06767	2.2
141.06906	0.5
142.07767	0.5
143.08553	0.7
145.06487	1.8
147.04373	0.4
147.08043	1.5
148.05168	0.5
149.05960	1.2
151.07526	3.3
157.06509	0.8
158.07269	0.6
159.08022	1.2
160.05112	0.5
161.05980	0.4
162.16982	0.4
163.07515	1.0
165.05472	0.5
166.06221	3.1
167.07069	2.6
167.08334	0.7
168.07877	0.5
168.51480	0.3
169.06487	0.8
171.08003	0.9
173.05960	0.8
174.06779	0.6
175.07544	1.7
177.05455	2.4
177.09109	0.4
179.07016	0.6
181.08577	100.0
182.08919	1.7
183.07991	0.7
185.09494	0.4
187.07547	1.5
188.08247	0.4
189.05455	0.5
189.09097	0.8
191.06979	0.8
192.07626	0.5
193.08609	1.3
194.09312	0.5
195.06479	0.4
196.11002	0.4
197.05807	0.4
197.09506	0.5
199.07599	0.9
199.11186	0.7
201.09001	0.7
203.06992	1.1
203.08708	0.6
203.10651	1.2
204.07884	0.4
205.08574	1.5
206.09355	0.4
207.10109	3.9
212.08360	0.5
213.09146	0.7
213.11084	0.6
217.08513	0.5
218.09386	0.4
219.10126	1.1
223.09650	1.8
225.11195	4.5
227.10608	1.9
229.08531	0.8
231.08011	0.7
231.10178	1.2
233.11807	0.6
235.09645	1.5
235.13303	0.4
241.08569	0.6
245.11844	0.8
248.08240	0.8
249.11205	0.5
254.10022	0.3
255.10126	1.0
259.09799	0.4
259.13278	1.4
261.11349	0.6
263.10471	0.5
263.13046	2.1
267.90350	0.4
273.11087	0.4
275.12805	0.5
276.07761	0.6
277.10736	1.7
277.13824	0.4
287.12701	1.8
291.10016	2.9
305.13849	7.9
308.10178	0.4
323.12613	2.5
323.15332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67148	2.6
70.06566	2.2
70.43391	8.0
72.08136	7.7
72.32461	1.9
92.88697	2.3
98.21301	3.8
117.03374	3.7
119.58540	2.4
145.02814	9.1
147.04369	2.3
151.42000	2.5
160.03673	39.6
160.09659	3.9
177.05450	13.9
185.04202	45.9
208.37279	2.1
230.01628	2.2
234.11232	3.7
252.07144	3.1
258.01132	4.2
260.02875	3.4
270.56171	2.5
276.02255	5.5
286.00455	5.1
304.01663	33.6
305.18774	3.0
322.08923	100.0
322.21115	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	323.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59801	8.8
64.43424	8.7
68.65660	10.8
70.85854	19.8
70.86231	20.9
75.82286	9.2
79.56534	8.3
82.38039	7.9
85.54914	7.6
99.10256	10.9
218.09293	9.4
323.07410	100.0
323.12073	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	323.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77411	0.8
58.06593	1.1
60.05627	1.8
65.56428	0.8
68.31395	0.8
70.06584	1.9
72.08144	4.2
84.04491	1.3
84.08149	1.8
86.09701	1.9
91.05482	1.6
95.04942	0.9
98.21548	1.5
112.46378	0.8
114.10277	1.2
117.03352	2.3
119.04902	1.0
121.06472	2.4
130.12305	0.9
131.12906	4.1
133.43318	0.9
137.02333	1.0
145.02847	2.9
147.04462	1.7
162.05478	1.0
163.03874	2.4
177.05457	5.4
189.01898	0.9
191.03453	1.3
207.06424	0.9
217.01358	3.3
229.69429	1.4
234.07657	1.0
234.11247	1.1
235.02344	1.9
249.03986	2.7
261.84787	0.9
263.01852	1.3
263.07083	1.4
291.01221	1.2
305.02036	1.6
323.11026	100.0
324.07431	1.7
324.11328	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04508	0.3
70.28525	1.3
77.84274	0.3
83.71371	0.3
98.21077	0.6
105.45269	0.3
159.06226	0.4
294.49927	0.3
321.11530	100.0
322.11865	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73295	0.8
55.05492	1.0
56.96545	3.5
61.02915	1.2
67.05479	2.4
69.07049	1.3
69.40146	0.8
70.08543	1.3
70.08946	2.6
72.04426	0.9
79.05458	1.4
81.07034	2.9
83.08606	1.0
85.02885	1.4
87.13690	0.8
91.03905	1.0
91.05466	1.3
91.32938	0.7
93.07020	1.2
95.08584	2.9
98.20804	1.5
107.08592	2.0
109.10145	2.0
116.98667	0.9
149.13130	0.9
149.44324	0.7
173.11656	1.5
217.07526	1.1
229.07477	6.3
229.14490	1.0
247.08470	4.7
269.10587	3.8
269.17279	0.9
287.11563	1.1
292.12515	1.2
321.23975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
56.96556	1.5
57.07069	27.1
67.05500	2.1
69.07060	4.5
69.85683	7.1
71.08625	41.0
73.06546	3.6
73.19083	1.2
75.00040	1.3
79.05498	2.6
81.07059	2.1
83.08629	2.8
85.10172	23.5
89.06020	100.0
91.05476	1.6
93.07054	1.2
95.08620	2.2
98.21526	1.1
98.98473	5.2
103.10230	1.1
107.07050	9.2
107.08589	1.8
109.10152	1.5
127.14815	1.6
130.08640	3.0
133.08591	28.5
151.09645	3.1
168.33699	1.3
171.17473	1.6
177.11221	4.5
195.12248	16.2
215.20061	1.5
224.02473	1.4
321.26349	4.2
324.41031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88994	0.1
56.96568	0.1
57.03434	0.1
61.02911	0.3
63.75511	0.1
69.35061	0.8
69.35468	0.2
72.93763	0.2
84.04515	0.2
96.08112	0.3
97.02882	0.1
98.20707	0.2
100.55232	0.1
101.00877	0.2
114.09140	0.2
115.02422	0.1
115.38423	0.1
119.01907	0.9
131.01907	0.3
132.95818	0.3
133.03473	0.5
137.02939	0.4
142.08612	0.1
149.02914	0.2
150.96907	0.2
155.01807	0.1
159.05048	0.1
159.06277	0.4
159.40501	0.1
160.09688	0.3
173.02878	0.1
187.00850	0.3
189.02444	0.1
191.03831	0.2
196.99098	0.1
201.01999	0.4
203.03583	0.2
219.03467	0.2
229.01459	0.3
231.02948	0.3
233.04970	0.2
247.02621	0.5
257.00797	0.6
259.02371	0.5
275.01804	0.6
277.03403	0.3
279.09396	0.2
285.00253	0.5
303.01328	2.7
304.01495	0.2
321.11520	100.0
322.11877	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0235
Annotation	Luteic acid
Peak:m/z	Relative Intensity
55.97651	0.4
61.65683	0.4
66.08952	0.4
67.05465	0.4
70.06574	1.2
72.08139	1.9
72.78990	0.4
81.07059	0.5
84.08134	2.1
86.28911	0.4
88.08369	0.4
89.03904	1.2
91.05464	2.8
94.06616	0.4
95.04961	0.9
98.20727	1.1
103.05470	1.2
107.04955	0.5
108.81370	0.4
112.08620	0.4
112.11188	1.2
113.11600	0.4
114.10287	0.8
117.03368	2.3
119.04919	2.4
122.06012	1.1
128.28644	0.4
129.03345	0.9
129.10344	0.5
129.13921	0.8
130.29178	0.4
131.04890	1.1
132.02106	0.4
135.04407	0.5
136.07588	0.6
145.02837	4.6
147.04410	4.9
152.07033	0.6
153.01732	0.8
157.02835	1.5
159.04414	0.5
163.03891	2.9
164.07085	1.0
173.02328	5.5
175.03891	5.7
177.05478	3.5
185.02264	2.0
187.03899	3.5
191.03358	3.4
198.11469	0.5
200.99965	0.9
201.01804	12.8
203.03377	7.1
205.62094	0.5
207.02911	0.7
207.06531	1.2
209.80144	0.4
213.01851	1.6
215.03293	2.1
217.01262	0.7
219.03009	3.0
228.99211	0.8
229.01302	9.3
231.02850	12.6
232.03114	0.4
233.00969	0.4
234.11208	0.8
241.01228	1.9
247.02371	9.7
257.00784	23.2
259.02347	19.2
262.10904	0.5
275.01822	20.5
276.02112	0.8
277.03415	11.6
285.00296	15.4
285.12323	1.0
293.15732	0.5
303.01306	100.0
304.01636	1.9
320.04034	0.6
321.02307	9.5
321.05591	0.9
321.15247	1.1
321.18848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2264
Annotation	Agallochin H
Peak:m/z	Relative Intensity
53.41431	3.6
55.05504	27.7
56.05016	3.5
56.96534	3.3
57.07046	5.7
60.04303	2.5
60.04519	26.0
61.01809	3.1
66.14105	3.0
67.05501	36.8
69.07056	22.3
69.28804	36.2
79.05479	27.6
81.07043	61.0
83.04976	4.7
83.08607	8.4
88.07618	11.4
89.07938	4.5
91.05471	14.0
93.07027	41.4
95.04962	6.0
95.08593	100.0
95.09527	3.9
97.06505	13.7
97.10151	4.7
98.21512	7.4
99.04431	7.7
105.07013	17.8
107.08576	49.6
109.06512	17.1
109.10127	48.7
111.08067	66.6
113.05991	5.2
116.98614	4.4
117.06995	8.0
119.08557	27.3
121.06490	4.2
121.10126	34.9
123.08038	27.5
123.11673	15.4
125.09527	3.3
125.16814	3.4
127.07548	11.8
131.08566	5.7
133.10117	23.5
135.11674	11.2
137.09593	50.9
138.10432	17.8
139.11160	13.4
143.08478	5.6
145.10094	10.7
147.11679	13.1
149.09579	18.4
149.13211	6.1
151.11150	12.3
153.01784	4.3
155.10632	7.2
159.11650	8.2
163.11156	41.0
165.12770	11.7
167.10637	10.0
173.13196	5.0
181.12222	47.2
211.14810	3.7
221.15254	3.9
245.15358	6.9
257.26584	7.8
259.20636	5.9
271.28180	11.0
283.20380	6.5
301.21616	38.1
301.29202	4.0
319.04486	15.9
319.22607	98.6
319.30298	53.1
320.25513	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	319.2263
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03946	4.7
55.01884	2.3
55.05502	15.2
57.03429	2.6
57.07058	5.4
59.04990	2.8
63.59872	2.1
65.03932	4.2
67.05496	44.0
69.03418	6.1
69.07065	19.5
69.94415	1.9
71.04996	3.3
79.05486	37.0
81.03426	2.7
81.07046	64.9
82.82858	2.0
83.04992	8.0
83.08625	5.2
85.06543	4.7
91.05463	36.8
91.05998	2.5
92.67088	1.9
93.07034	49.2
95.04977	14.0
95.08598	31.7
97.06544	7.3
97.10148	2.9
98.32518	1.9
98.97595	3.1
105.07011	45.0
105.07662	2.7
106.07414	2.3
107.08582	35.1
108.86782	1.9
109.06520	14.2
109.10143	64.7
110.03669	2.8
111.08094	6.4
117.07016	6.7
119.08560	28.2
119.89003	1.9
121.06514	4.9
121.10131	35.0
122.06037	2.6
122.07247	2.9
123.08080	9.6
123.11702	13.8
124.07573	5.1
125.09619	6.7
131.08539	9.8
133.06570	2.6
133.10121	24.7
134.99615	2.3
135.08041	10.3
135.11673	18.8
136.07556	42.8
136.08514	3.4
137.02345	3.9
137.09598	36.8
137.10562	3.4
137.13190	2.6
138.02650	2.4
139.11194	5.4
143.08618	5.8
145.10095	14.6
147.08069	3.5
147.11670	18.1
149.09601	24.2
149.13290	4.9
151.11147	16.4
152.07060	13.5
153.01851	8.1
154.96359	1.9
155.08490	2.2
156.09337	3.4
157.10147	9.1
159.11711	8.9
161.09657	3.3
161.13274	6.7
163.11212	7.6
163.14857	3.7
164.07047	36.6
165.12811	7.1
167.07037	2.8
167.10693	3.6
171.11697	6.6
173.13284	10.4
175.11220	4.7
177.12764	4.0
185.13263	5.7
187.14809	3.2
189.05534	2.3
189.12709	2.8
191.00139	3.8
191.14378	9.5
196.09711	10.5
199.14877	4.9
213.16376	3.2
217.05029	3.6
229.04834	3.7
230.04906	5.8
230.78891	2.5
231.05548	2.5
247.05235	2.3
255.21176	5.8
259.04861	2.9
273.03809	2.4
276.05249	5.3
283.20670	6.2
287.04541	2.9
287.14178	2.4
301.18430	3.6
301.21439	10.5
302.03845	3.3
303.03964	38.2
304.04733	86.0
305.05069	4.3
319.04532	9.8
319.07257	100.0
319.22632	11.8
320.07623	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	319.2265
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03950	4.4
55.01848	4.0
55.05511	21.4
56.96556	5.4
57.03432	3.8
57.07070	4.3
59.04995	2.5
65.03947	2.4
66.36843	1.9
67.05501	48.7
68.99789	6.5
69.03410	5.7
69.07073	25.6
71.04972	6.7
71.12476	5.8
76.92425	2.1
79.01857	6.4
79.05491	42.3
81.03394	5.1
81.07056	100.0
83.04979	18.6
83.08603	6.2
85.06528	3.7
89.23959	2.2
91.05479	43.9
93.06462	3.9
93.07037	65.9
95.04974	16.1
95.08043	3.7
95.08606	49.6
97.02864	3.4
97.06522	10.0
97.10201	2.8
98.97594	3.0
100.56409	1.9
105.07024	59.5
107.04961	4.4
107.08585	43.0
109.06502	15.1
109.10156	67.8
111.04424	4.2
111.08060	7.8
115.05394	3.9
117.06983	6.4
119.08578	35.8
121.06490	9.2
121.10136	43.0
123.08044	11.5
123.11696	22.6
125.02353	3.5
125.09607	8.0
129.06970	4.2
131.08571	14.6
133.06465	2.2
133.10132	32.7
135.08081	15.0
135.11700	20.2
137.02315	11.3
137.05986	4.7
137.09607	39.8
137.13271	3.2
139.11166	6.1
142.89136	2.1
143.03378	7.3
143.08513	7.3
145.10135	19.0
147.08034	5.7
147.11687	25.2
149.09605	47.2
149.13258	7.1
151.11172	14.5
153.01817	66.3
153.09044	4.4
155.08507	3.4
155.10677	2.4
157.10100	10.2
159.11743	12.5
161.09625	7.4
161.13217	10.1
163.09956	2.4
163.11139	13.2
163.14793	3.7
165.01790	5.7
165.12744	15.1
167.10654	4.3
169.10156	5.6
171.11665	8.8
173.09607	2.6
173.13245	13.9
175.11143	9.9
175.14749	5.7
177.05484	3.5
177.12755	4.2
179.10660	3.8
181.12344	3.3
183.11646	4.5
185.13272	6.3
187.11154	3.4
187.14836	4.0
189.12688	7.2
189.16280	3.5
191.14279	7.8
197.13293	3.2
199.11333	2.9
199.14836	5.3
201.16388	2.7
203.14340	6.0
213.16371	4.7
217.04956	2.9
219.13757	2.5
225.16150	3.3
226.93869	2.3
226.98676	8.1
227.14256	3.8
229.04961	3.2
245.04379	8.6
245.15416	3.6
255.21103	4.8
265.19507	3.1
273.03943	32.0
274.04279	3.9
283.20447	7.8
301.18042	4.7
301.21548	17.0
303.04910	16.5
319.04446	66.9
319.16431	4.3
319.22662	13.6
320.04929	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	319.2264
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03939	5.0
55.01867	3.8
55.05507	16.5
56.96552	2.8
57.03444	1.5
57.07071	6.2
57.80449	1.4
59.05002	2.9
60.93968	1.4
65.03928	4.0
65.96343	1.5
67.05498	38.8
69.03425	6.6
69.07058	22.5
69.74377	10.6
71.04987	3.4
78.13465	1.4
79.05482	38.5
81.03418	5.8
81.07047	100.0
83.04979	6.2
83.08603	7.8
85.02903	2.1
85.06065	1.5
85.06539	6.8
90.69729	1.6
91.05469	37.5
93.07037	51.8
95.04942	11.2
95.08595	58.0
97.02874	2.2
97.06541	8.4
97.10170	4.2
98.21470	2.7
98.51617	1.5
98.97564	2.7
102.13505	1.4
103.05450	2.4
105.07019	49.2
107.04928	1.7
107.08578	44.9
109.06519	16.8
109.10142	69.1
110.26093	1.6
110.65794	1.7
111.08065	6.3
111.11757	1.9
117.07013	4.7
119.08564	26.9
121.06481	6.1
121.10123	43.1
122.10448	2.3
123.08047	9.5
123.11686	21.0
125.09628	6.0
128.06206	1.8
129.07016	3.3
131.08527	11.6
133.06476	2.3
133.10109	25.1
135.08026	12.5
135.11687	24.7
137.09604	36.8
137.13217	10.2
139.11195	2.7
143.08568	5.4
144.09253	1.8
144.12637	2.0
145.10083	12.8
147.11659	18.5
149.09598	27.2
149.13223	11.8
151.11194	14.9
153.01816	4.0
153.09087	3.5
157.10080	7.3
159.11691	12.1
161.09607	2.8
161.13278	6.5
163.11137	8.9
163.14833	5.4
163.90657	1.5
165.09113	1.9
165.12720	9.5
167.10637	4.2
169.10083	2.5
171.11699	4.8
173.09599	2.8
173.13275	11.7
175.11157	5.2
175.14738	2.9
177.09218	1.7
177.12720	6.6
179.10641	2.0
181.12265	1.9
183.11729	2.7
185.13223	4.1
187.11189	1.9
187.14821	3.7
189.12724	4.5
189.16426	2.6
191.14299	10.0
197.13246	1.7
199.14799	4.8
203.14337	2.5
203.17996	2.4
205.16151	1.7
205.19518	1.7
209.13185	1.7
213.16385	3.3
215.14391	2.1
217.15866	2.1
220.31465	1.5
227.14351	2.1
245.04483	2.1
245.15361	2.9
255.21014	6.4
259.20691	1.6
263.82355	2.0
265.19666	2.1
273.03931	2.4
273.22086	2.7
283.20615	7.5
283.23511	1.6
301.18362	2.5
301.21594	10.0
301.25052	3.4
307.32074	1.6
319.04459	15.6
319.15616	1.9
319.19037	3.6
319.22507	6.1
319.26364	18.5
320.04883	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	319.2267
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
53.03941	3.6
55.01864	6.7
55.05257	2.0
55.05505	26.3
56.96557	3.4
57.03422	2.6
57.07068	4.7
65.03925	5.4
67.05499	45.2
67.15370	1.3
68.99760	1.6
69.03419	9.9
69.06713	2.7
69.07061	33.7
71.04980	6.4
71.20550	2.4
71.93074	1.4
77.03906	1.6
79.05482	28.8
81.03388	1.6
81.07049	91.8
82.07373	2.1
83.04975	18.4
83.08609	8.9
85.06533	5.6
91.05467	35.9
93.07037	50.5
95.04962	33.1
95.08598	49.9
95.09055	1.1
95.09221	1.9
97.02914	1.5
97.06523	14.7
97.10155	4.3
98.97585	2.5
99.08092	1.8
100.11237	5.8
103.05472	1.5
105.07021	59.9
106.07316	2.0
107.04970	4.0
107.08584	100.0
109.06505	24.1
109.10146	95.4
109.10915	2.6
109.11269	2.0
111.04479	1.8
111.08071	13.3
115.05434	1.7
117.07023	5.6
119.06075	2.2
119.08572	41.5
121.06506	9.1
121.10131	54.3
122.07268	1.8
123.08053	13.0
123.11700	24.2
125.05981	2.9
125.09621	8.6
127.07517	2.3
128.06180	1.7
129.06972	3.0
130.07784	1.6
131.08545	14.9
133.06436	4.2
133.10106	45.8
135.08031	13.4
135.11668	20.3
137.05997	1.5
137.09605	41.4
137.13231	5.8
139.07545	3.4
139.11153	7.3
142.07828	2.8
143.08549	8.6
145.10109	18.1
147.08054	5.9
147.11678	24.2
149.09604	40.4
149.13275	8.1
150.10158	1.9
151.11162	30.2
153.01814	8.1
153.09091	4.6
153.12752	1.7
155.08652	1.5
155.10661	4.9
156.09357	2.9
157.10103	9.9
158.10883	1.6
159.08017	2.4
159.11652	14.3
160.18094	1.5
161.08395	1.8
161.09599	8.1
161.13237	8.9
163.11145	11.2
163.14859	4.0
165.09106	5.0
165.12747	18.3
167.10706	6.1
167.14371	1.9
169.10071	2.0
170.10873	2.8
171.11697	8.9
173.09671	2.8
173.13205	13.7
173.96675	1.4
175.11174	6.7
175.14819	9.9
176.98587	2.7
177.12730	3.0
177.16383	2.0
179.10677	3.5
179.14273	1.9
181.12227	6.1
183.11775	2.8
184.16913	2.9
185.13225	8.9
187.00673	2.2
187.11255	2.1
187.14742	7.4
189.12730	8.2
189.16371	9.6
191.00060	3.0
191.14284	5.5
193.12148	1.6
197.13254	3.1
199.14755	9.0
201.12766	3.5
201.16362	3.1
203.14311	19.3
205.15875	20.7
207.13875	3.9
209.13293	3.3
213.12740	2.1
213.16212	3.0
215.14290	2.8
215.17928	2.0
217.04956	2.4
217.15796	10.1
221.15581	1.7
223.14871	1.8
225.16251	2.5
227.14290	5.0
227.17694	2.8
229.19542	2.2
239.17918	2.8
241.15895	3.0
241.19576	2.2
243.17706	1.5
245.04417	2.2
245.15376	3.8
255.21078	5.8
257.19104	2.3
265.19485	3.4
267.17307	1.5
269.04785	4.1
273.03912	4.3
273.22104	5.2
283.20578	8.8
287.05859	3.2
301.11755	4.3
301.18207	2.3
301.21585	17.6
304.04736	2.4
310.07477	2.0
319.04327	29.8
319.07498	2.9
319.12552	3.8
319.18970	5.9
319.22675	26.7
319.26257	5.1
320.04834	4.0
343.30814	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2264
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
53.03936	5.3
55.01858	6.3
55.05301	2.4
55.05511	27.6
57.07056	3.1
59.04979	3.7
61.99059	2.5
67.05161	4.4
67.05495	53.1
68.99786	2.8
69.03419	4.8
69.07054	26.2
70.90991	8.2
71.04968	9.7
79.05475	32.4
81.06572	5.1
81.07050	100.0
83.04984	20.3
83.08620	2.7
91.05457	35.6
93.07040	56.5
95.04961	33.8
95.08594	49.3
97.06531	14.2
97.10178	3.5
105.07018	54.7
107.08583	90.3
108.08903	3.3
109.02921	2.9
109.06492	21.4
109.10143	99.4
111.04411	3.9
111.08062	13.0
117.06989	6.5
119.08558	40.7
121.06477	7.9
121.09302	4.2
121.10131	51.0
123.08038	10.9
123.11706	19.5
125.09610	5.5
129.06924	3.8
131.08540	9.7
133.10097	35.7
135.08041	11.6
135.11690	13.4
137.05937	3.5
137.09604	39.7
137.13196	5.2
139.11157	7.2
143.08540	6.1
145.10136	15.6
147.08063	3.2
147.11676	27.8
149.09604	44.1
149.13264	4.9
151.11172	22.2
153.01811	9.4
153.09088	2.7
156.09331	2.7
157.10094	8.0
158.10973	3.2
159.11670	12.1
161.09634	7.9
161.13281	14.2
163.11134	9.9
165.09059	4.5
165.12712	9.4
167.10611	4.3
171.11623	7.6
173.13237	13.4
175.11131	6.7
175.14793	8.2
177.16232	4.1
179.10669	3.5
185.09593	2.7
185.13251	10.0
187.14771	7.0
189.12750	8.9
189.16351	8.4
191.14259	8.9
192.06459	2.9
199.14824	10.9
201.12744	3.1
201.16373	3.1
203.14313	12.4
204.15073	2.8
205.15820	18.8
217.04900	3.2
217.15793	8.9
222.66763	3.0
227.14230	4.7
245.15253	3.2
255.21100	6.7
257.18842	3.3
261.85785	2.8
268.58896	3.6
273.03967	5.9
273.22058	3.1
283.20523	6.4
301.21643	15.1
319.04382	49.3
319.22589	8.0
320.04651	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	319.2265
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03925	3.6
54.14316	2.1
55.01840	2.8
55.05505	18.7
56.96556	2.0
57.03435	2.5
57.07055	3.8
59.04984	2.0
67.05499	48.5
69.03413	7.0
69.07059	20.5
70.52345	1.8
70.79570	4.1
70.79941	4.6
71.04975	3.2
79.05482	46.7
81.03375	2.1
81.07050	100.0
81.96387	1.8
83.04967	6.3
83.08604	8.6
85.06541	3.8
91.05466	46.7
93.06459	4.0
93.07034	58.8
95.04945	11.1
95.08595	47.4
97.06516	8.6
97.10109	3.9
98.97578	3.4
103.05460	4.2
105.07018	60.6
107.08579	51.2
109.06521	19.9
109.10146	83.6
111.08067	10.6
116.98567	3.3
117.06988	5.8
119.08558	34.4
121.06453	6.8
121.10127	48.5
123.08029	11.4
123.11676	20.1
125.09621	9.4
127.07507	4.0
129.06990	2.4
131.08545	12.2
133.10103	35.3
135.08052	11.0
135.11691	22.0
136.42181	2.0
137.09601	46.8
137.13220	6.1
139.07568	2.8
139.11136	6.6
142.07855	2.5
143.08551	6.0
145.10107	17.0
147.08011	2.7
147.11679	20.6
149.09599	32.3
149.13240	5.7
151.07475	2.5
151.11159	22.2
153.01784	5.1
153.09058	3.9
156.09317	3.2
157.10118	8.2
159.11658	8.8
161.09535	5.4
161.13234	7.6
163.11189	10.9
163.14760	3.8
165.09082	2.2
165.12737	9.2
167.10652	2.2
169.10112	2.6
171.11642	7.4
173.13213	12.2
175.11176	4.5
175.14795	5.0
177.09052	2.2
181.12312	2.7
185.13223	6.8
187.14810	5.3
189.12758	6.2
191.14278	12.5
195.11600	2.4
199.14738	4.8
203.14284	3.9
213.16322	3.6
217.15913	4.4
227.14282	3.1
228.99849	2.0
241.19542	3.6
247.41737	2.3
255.21083	4.9
273.22107	3.8
283.20520	10.2
283.23602	2.1
301.21631	14.4
303.13785	2.2
319.04370	15.4
319.22620	9.1
319.25934	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	319.1902
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
53.03934	3.8
54.58534	1.3
55.01858	3.3
55.05506	13.3
56.96553	3.0
57.03418	2.3
57.07059	3.1
65.03938	1.7
67.05503	24.4
69.03403	4.8
69.07069	13.3
71.04958	1.6
79.05488	60.9
81.03384	1.9
81.07055	33.1
83.04975	24.5
83.08610	5.6
85.06541	2.3
85.33784	1.2
91.05471	36.8
93.07034	45.4
95.04961	12.6
95.08035	2.1
95.08599	22.2
97.06506	7.7
97.10159	2.1
98.97548	2.3
103.05481	1.9
105.03377	2.9
105.04516	1.6
105.07023	39.7
107.04934	3.2
107.08588	42.9
109.06503	7.4
109.10151	15.7
111.04427	16.4
111.08060	5.0
116.98592	1.6
117.06989	6.6
119.08575	46.3
121.06516	7.2
121.10128	30.2
123.04414	10.2
123.08054	10.9
123.11669	4.0
125.05971	21.5
125.09636	7.7
125.10432	1.6
127.07512	1.5
128.06207	2.4
129.06981	3.9
130.07771	1.4
131.08553	14.5
133.06473	4.2
133.10117	15.8
135.04364	2.1
135.08041	18.0
135.11650	6.7
137.09637	11.9
137.13206	3.3
139.07526	4.4
142.07762	3.1
142.28600	1.4
143.08575	7.4
144.09457	1.7
145.10104	7.4
147.08023	12.0
147.11635	6.4
147.87062	1.4
149.09615	30.7
149.13229	3.8
151.07529	9.2
151.11150	4.2
153.01845	6.7
153.09085	17.5
155.08546	2.1
156.09335	3.2
157.10127	11.0
158.10867	1.7
159.08047	2.3
159.11690	8.9
161.09601	4.2
161.13269	2.5
163.11182	6.8
165.09113	15.4
167.10672	5.9
169.10170	2.5
170.10912	4.3
171.11688	13.0
172.12405	3.2
173.13216	5.4
175.11176	3.2
177.00685	1.7
177.09041	2.3
177.12726	3.8
179.08551	1.5
179.10699	1.6
181.10167	2.3
181.12239	1.8
183.11658	4.2
185.13234	8.5
186.14098	7.3
189.12735	4.5
195.10141	2.3
195.11720	3.1
197.13278	2.6
199.14856	1.7
201.12752	2.3
203.10658	2.1
203.14204	2.5
205.12344	1.6
207.11673	2.2
208.12613	1.8
209.13206	2.1
211.14822	1.9
217.12234	4.1
231.13795	4.0
233.15303	2.0
237.16299	2.7
241.12273	3.3
243.13705	2.1
245.04376	2.6
245.15479	2.3
249.14890	4.0
259.16968	2.1
265.15582	1.8
273.03949	2.5
273.18552	3.3
283.16916	33.0
301.17966	100.0
302.18317	2.2
319.04428	19.8
319.18887	8.3
319.22632	3.7
319.26355	5.5
322.59607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
52.67934	1.0
53.03931	3.6
55.01859	3.0
55.05503	13.6
56.96558	3.1
57.03407	1.8
57.07055	4.5
59.04988	1.7
64.65865	1.1
65.03924	3.8
65.11519	1.1
67.05495	47.6
69.03421	5.2
69.07060	21.3
69.93964	4.2
71.04980	2.6
79.05482	42.1
81.03419	2.4
81.07046	100.0
82.07401	1.4
83.04962	6.7
83.08599	6.8
83.18967	1.1
84.08117	1.0
85.06551	2.8
91.04886	2.0
91.05467	44.8
93.07030	56.5
95.04956	10.2
95.08598	44.5
97.06511	6.2
97.10173	1.6
98.97546	1.1
99.08067	1.3
103.05466	2.6
105.07015	54.5
107.04934	2.8
107.08581	44.0
109.02865	1.3
109.06514	14.9
109.10143	68.9
111.08055	6.3
114.97620	1.0
115.05491	1.4
116.98689	1.4
117.06989	6.5
119.08569	29.0
121.06520	6.5
121.10130	40.2
122.07326	2.5
123.08065	9.4
123.11679	15.9
125.05951	1.7
125.09594	8.5
127.07553	1.3
128.06230	1.7
129.06993	2.7
130.07756	1.8
131.04851	1.2
131.08539	13.1
133.09091	1.6
133.10114	29.3
135.08052	11.1
135.11678	18.4
137.09598	43.9
137.13266	2.8
139.11153	5.3
140.14276	1.3
141.06970	1.6
142.07768	2.2
143.08554	4.9
145.10109	12.5
147.08026	4.0
147.11673	18.5
149.09599	32.9
149.13235	5.8
151.11174	17.8
153.01822	3.7
153.09073	3.1
155.08499	1.2
156.09358	2.7
157.10127	6.9
158.10869	1.5
159.08029	2.2
159.11659	8.9
161.09581	5.2
161.13231	7.7
163.11154	8.8
163.14803	4.4
164.74466	1.2
165.09111	2.8
165.12755	9.2
167.10664	3.6
169.10069	1.9
171.11667	6.7
173.09583	2.1
173.13252	10.6
175.11162	4.2
175.14838	2.9
177.12721	3.3
183.11711	1.5
184.12427	1.6
185.13290	5.3
187.14790	3.4
189.12720	5.0
189.16344	2.8
191.14281	10.5
197.13203	1.5
199.14862	4.3
201.16368	1.9
203.14272	2.1
205.15799	1.7
207.13788	2.3
209.13248	2.4
211.14879	1.8
213.16341	3.9
217.15790	2.1
225.16304	1.3
227.14326	3.5
231.17386	2.3
241.19473	1.6
245.15453	2.0
255.20973	6.6
265.19449	2.5
273.03882	2.0
273.22171	2.7
283.20496	8.5
301.21652	12.0
319.04398	18.9
319.22641	7.0
319.26285	4.8
336.93188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	2.3
58.01841	1.8
69.03432	2.3
71.59585	3.6
84.08157	2.8
106.78484	2.5
119.01923	6.1
143.01888	3.4
157.01111	10.3
173.02937	3.9
176.97952	2.6
182.51840	2.2
215.00209	2.5
217.01424	2.8
219.02997	2.7
240.80615	2.2
245.00871	3.6
247.02480	2.7
301.08929	4.4
319.00833	6.2
319.06561	11.7
319.09985	100.0
319.13547	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	319.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85448	0.6
67.72357	0.6
68.15263	0.7
69.90937	3.8
71.16221	0.6
119.01900	1.6
157.04709	1.1
162.13469	0.7
165.73955	0.7
217.01720	0.8
245.06332	4.7
289.08771	1.0
301.08917	4.5
319.09991	100.0
319.13327	5.9
320.10251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0994
Annotation	PHENOLPHTHALEIN
Peak:m/z	Relative Intensity
65.86092	0.9
66.11704	0.8
66.48062	1.2
69.53142	3.9
69.53571	3.7
78.93352	1.0
102.53085	0.9
119.01900	1.4
128.02296	1.0
134.75397	0.9
171.04042	0.9
245.06305	3.6
277.49753	0.9
289.08990	1.4
294.85962	1.0
301.08954	3.6
319.09973	100.0
319.13364	6.2
320.10443	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	319.0443
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03948	0.2
55.01865	0.5
57.67627	0.2
65.03928	0.5
66.59166	0.2
67.01855	0.6
68.99786	5.2
69.03411	0.6
79.01845	0.6
81.03417	1.0
93.03389	0.5
95.01322	0.3
97.02875	0.7
109.02865	2.7
111.00796	4.9
111.04424	0.7
115.05443	0.2
117.07034	0.2
121.02842	0.7
121.06497	0.7
125.02336	0.5
126.03107	0.6
127.03897	0.9
133.02820	0.6
133.06462	0.5
135.04488	0.2
137.02322	4.6
139.03896	0.7
140.72127	0.2
140.94276	0.2
143.03371	0.4
145.06528	0.2
147.00826	0.3
147.04404	0.8
148.08000	0.2
149.02292	0.4
151.03868	0.3
153.01822	26.5
153.05331	0.5
154.02129	0.2
161.02309	0.3
161.05969	1.2
165.01839	7.0
166.02625	1.1
171.03072	0.3
171.04356	1.2
175.03900	0.5
177.05464	0.8
179.03391	3.5
183.02898	1.9
189.01810	0.4
189.05478	2.6
193.01303	0.8
194.02031	0.3
195.02898	1.3
199.03900	1.0
201.05463	0.2
203.03354	2.0
204.04147	0.2
207.02882	0.7
208.03539	0.2
209.04459	0.3
216.04231	0.3
217.04951	9.9
219.02916	0.9
221.04506	0.9
227.03423	1.0
229.04974	0.6
229.29057	0.2
231.02876	0.8
232.03630	0.7
233.04462	0.3
235.02348	0.5
235.05988	0.6
239.01680	0.4
244.03661	0.8
245.04448	10.8
255.02995	1.4
263.05469	0.9
272.03152	0.4
273.03900	8.5
283.02637	0.4
290.04123	2.3
291.04987	0.4
301.03394	2.0
319.04468	100.0
320.04736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01872	0.6
64.64828	0.1
65.03934	0.5
67.01866	0.6
68.69682	0.1
68.99786	4.2
69.00162	0.2
69.03413	0.5
69.27157	1.2
79.01852	0.4
79.21507	0.1
81.03405	0.8
83.04990	0.2
91.05486	0.2
93.03395	0.5
95.01330	0.2
97.02874	0.7
103.05444	0.1
105.03366	0.2
105.07022	0.4
107.01303	0.2
107.04963	0.2
109.02868	2.7
111.00798	4.5
111.04402	1.0
112.73686	0.1
115.05440	0.4
116.07970	0.1
121.02862	0.5
121.06506	0.5
123.04392	0.2
125.02342	0.6
126.03122	0.5
127.03921	0.9
133.02844	0.5
133.06473	0.3
137.02330	4.5
139.03867	0.6
143.03384	0.3
143.04874	0.2
147.04417	0.8
149.02306	0.5
152.01038	0.1
153.01819	25.3
153.05438	0.5
154.02179	0.4
155.04904	0.1
161.02309	0.3
161.06036	1.1
163.03961	0.3
165.01830	6.7
166.02582	1.1
167.03366	0.1
170.02080	0.1
171.04367	0.7
173.06036	0.2
175.03911	0.4
177.05482	0.8
179.03387	3.3
183.02875	2.3
183.04399	0.1
187.04019	0.2
189.01808	0.3
189.05466	2.7
191.03423	0.3
193.01279	0.7
193.04915	0.2
194.02129	0.2
195.02887	1.5
199.03940	1.1
201.05481	0.1
203.03377	1.5
204.04213	0.2
205.04935	0.3
207.02917	0.9
208.03627	0.2
209.04456	0.3
216.04150	0.4
217.04958	9.3
218.05287	0.2
219.02965	0.7
221.04391	0.7
227.03380	0.9
229.05008	0.7
231.02928	0.7
232.03639	0.3
233.04446	0.3
234.05237	0.2
235.02353	0.5
235.05975	0.6
239.01859	0.4
244.03691	1.1
245.04440	10.8
249.03922	0.3
255.02878	1.5
259.02261	0.2
261.03778	0.1
262.04758	0.2
263.05542	1.0
272.03098	0.4
273.03922	8.3
274.04303	0.2
283.02271	0.3
290.04172	2.3
291.05017	0.5
301.03391	1.8
319.04462	100.0
320.04831	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	319.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
63.56813	0.1
65.01616	0.1
65.03938	0.7
67.01862	0.5
68.99786	5.3
69.00165	0.3
69.03410	0.6
69.26007	1.3
73.05945	0.1
77.48492	0.1
79.01844	0.5
81.03413	0.8
83.04974	0.2
84.33672	0.1
91.05470	0.3
93.03394	0.5
95.01331	0.2
97.02882	0.5
103.05458	0.3
105.03373	0.2
105.07021	0.4
107.01286	0.3
107.04938	0.2
109.02867	3.1
111.00793	5.4
111.04385	0.9
115.05462	0.5
119.01321	0.2
119.04928	0.2
121.02869	0.6
121.06489	0.6
123.04424	0.4
125.02361	0.7
126.03136	0.6
127.03924	0.9
131.04907	0.3
133.02818	0.5
133.06500	0.4
135.04402	0.2
137.02322	5.3
137.05986	0.2
139.03876	0.8
140.12025	0.1
143.03314	0.3
143.04959	0.3
145.06377	0.3
147.04384	0.7
149.02345	0.4
151.03864	0.2
153.01814	28.8
153.05408	0.5
154.02156	0.3
159.04398	0.2
161.02354	0.5
161.05978	1.0
163.03891	0.2
165.01822	7.8
166.02638	1.1
167.03343	0.3
171.02972	0.2
171.04393	1.3
173.05983	0.3
175.03906	0.5
177.05466	0.8
179.03372	3.7
183.02890	2.0
183.04399	0.2
189.01804	0.2
189.05472	2.9
191.03398	0.4
193.01328	1.0
193.05009	0.4
194.02116	0.2
195.02878	1.9
199.03889	1.2
203.03357	1.9
204.04268	0.2
207.02893	1.1
209.04352	0.2
211.02368	0.2
216.04170	0.3
217.04947	10.0
219.02930	0.7
221.04524	0.8
227.03357	0.9
229.04930	0.5
231.02863	0.7
232.03697	0.5
233.04451	0.2
234.05064	0.2
235.02301	0.5
235.05971	0.5
239.01935	0.4
244.03633	1.0
245.04437	11.7
246.04994	0.3
249.03801	0.2
255.02849	1.6
261.03955	0.2
263.05493	1.2
272.03192	0.3
273.03903	9.5
274.04507	0.2
283.02246	0.4
290.04150	2.2
291.04959	0.4
301.03384	2.0
319.04449	100.0
320.04773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87410	2.2
53.00303	4.2
53.03941	2.8
54.87894	2.1
55.01862	5.1
56.96558	4.5
57.03426	4.3
61.02906	11.3
62.93319	2.3
69.03419	22.7
69.98514	10.7
70.06590	34.6
71.04975	4.0
72.08111	3.3
81.03406	9.6
84.08154	3.1
85.02900	100.0
86.09687	5.0
91.03952	6.2
91.05463	4.6
93.07018	4.9
97.02892	24.3
99.04464	2.4
102.05556	2.8
103.05492	4.4
107.04924	4.5
109.02865	8.7
116.07030	3.4
121.06492	76.7
121.78582	2.4
127.03904	20.1
130.06505	16.0
133.02829	4.0
145.04951	30.3
145.06570	2.7
149.02264	2.7
153.01775	4.5
156.10266	6.2
157.06445	3.7
157.07565	18.3
158.05991	9.3
159.09192	4.4
161.02328	6.3
163.03880	6.3
163.06078	4.1
165.01761	3.0
175.08665	5.4
179.03439	5.4
185.07082	4.2
187.07520	17.1
189.01843	6.8
191.03383	7.8
193.04416	2.9
205.01160	2.9
205.08586	7.4
207.02885	7.8
217.01280	11.3
219.02776	3.2
221.09230	9.2
229.08504	5.3
235.02281	6.8
245.00902	5.5
247.02365	9.2
247.09622	7.9
251.14796	2.3
263.01813	4.5
273.00241	6.9
289.29611	3.0
300.10236	2.9
300.13394	13.5
300.99802	4.2
301.07074	4.8
301.10251	3.2
318.12469	13.5
319.00751	25.9
319.04379	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	319.0444
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.25533	0.1
55.01877	0.3
59.56004	0.1
65.03923	0.6
67.01843	0.4
68.99424	0.3
68.99784	3.9
69.03420	0.4
79.01825	0.4
81.03404	0.8
91.05460	0.3
93.03368	0.4
94.91354	0.1
95.01334	0.2
97.02265	0.1
97.02891	0.6
98.20690	0.3
103.05470	0.2
105.03358	0.2
105.07059	0.3
107.01256	0.3
109.02881	2.6
111.00795	4.5
111.04457	1.0
115.05460	0.4
119.01270	0.2
121.02824	0.6
121.06504	0.5
123.04414	0.3
125.02341	0.7
126.03131	0.5
127.03882	0.8
128.43730	0.2
133.02837	0.4
133.06468	0.4
137.02325	4.1
139.03876	0.9
139.85663	0.2
143.03366	0.3
147.04391	0.7
149.02345	0.4
149.05949	0.3
151.03940	0.2
153.01811	23.6
153.05415	0.4
154.02153	0.3
161.02365	0.4
161.06010	0.8
163.03923	0.5
165.01814	5.7
166.02599	1.0
171.03076	0.2
171.04346	0.8
173.06003	0.3
175.03915	0.5
177.05409	0.9
179.03363	2.9
183.02861	2.1
189.05431	2.4
191.03403	0.2
192.04178	0.1
193.01324	0.6
193.04941	0.3
194.02078	0.2
195.02869	1.3
199.03932	1.2
200.04605	0.1
203.03429	1.5
207.02913	0.9
208.03644	0.2
209.04507	0.3
216.04185	0.2
217.04947	8.1
218.05402	0.2
219.02914	0.8
221.04478	0.5
227.03386	0.8
229.04951	0.6
231.02831	0.6
232.03709	0.4
233.04442	0.2
235.02359	0.6
235.06023	0.6
239.01723	0.2
244.03616	0.9
245.04437	9.7
247.02293	0.2
255.02847	1.3
259.02530	0.2
263.05396	1.2
272.03223	0.2
273.03897	8.0
274.04288	0.2
283.02475	0.3
290.04144	2.2
291.04965	0.4
301.03375	1.7
319.04449	100.0
320.04773	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
57.03434	5.0
61.02917	9.4
65.84657	1.8
69.03433	24.0
70.06583	13.8
70.66055	7.4
71.04988	2.1
73.02895	2.8
81.03409	8.2
85.02904	100.0
91.03960	6.1
91.05471	4.5
93.07030	3.2
95.04945	2.9
97.02894	24.0
99.04473	2.7
103.05484	4.3
107.04890	2.2
109.02871	10.4
116.07117	2.2
121.06499	94.8
127.03913	26.0
130.06485	3.8
133.02750	3.0
144.52342	2.2
145.04953	39.6
145.06528	3.0
146.01274	2.5
153.01808	3.1
157.07611	6.2
158.05974	3.0
159.08031	3.9
163.03891	2.7
163.06055	3.7
180.08704	2.7
186.70206	2.2
187.07524	21.0
189.01839	4.0
191.03351	3.2
205.08549	10.6
217.01321	4.6
217.08623	2.2
229.08604	5.6
235.09608	3.7
247.09669	5.0
263.01828	3.4
265.10739	2.7
284.14639	2.3
300.13260	3.5
318.00089	3.2
318.12402	16.0
319.00809	13.8
319.04330	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.7
53.03927	1.4
57.03418	1.6
67.05482	1.4
69.03407	5.6
69.07059	1.8
70.06558	1.8
71.58739	1.3
71.59106	1.7
72.08138	2.8
75.02301	1.3
80.91681	1.1
81.03426	2.6
84.08131	3.3
85.02891	8.2
86.09708	1.8
91.05458	4.3
93.07041	2.1
95.08587	1.8
96.04473	2.5
96.08121	2.7
97.02863	2.5
98.06045	1.5
109.02835	1.8
109.36172	1.4
110.06014	4.2
110.09666	3.8
112.11240	2.1
119.61044	1.5
123.06242	1.3
126.09158	11.6
127.03912	1.7
133.02821	1.6
138.09126	21.8
145.05020	2.0
153.01814	3.6
156.10187	100.0
157.10533	2.3
161.02336	2.6
163.03880	2.4
166.40633	1.4
170.05957	1.8
177.05533	2.2
180.10117	1.5
185.44243	1.4
191.03371	2.6
192.37520	1.6
195.63219	1.3
217.01390	3.2
234.01530	1.8
234.20453	1.3
235.02306	1.9
245.00899	2.7
250.17476	1.3
263.01849	2.5
273.00269	2.8
274.00165	1.3
301.11823	3.1
317.99911	4.2
318.15598	2.7
319.00757	7.7
319.04462	10.8
319.12759	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	317.2472
Annotation	17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one
Peak:m/z	Relative Intensity
50.50072	1.6
53.03934	1.8
55.05494	7.7
56.96542	7.0
56.96777	1.5
57.07045	3.0
67.05500	16.2
69.03419	2.8
69.07054	10.3
70.99937	3.9
71.04974	2.9
79.05062	1.7
79.05485	24.1
81.03394	6.5
81.07050	37.5
83.04948	1.8
83.08599	7.8
85.02882	2.6
85.06516	7.1
86.09697	2.3
89.87275	1.7
91.04286	1.5
91.05468	26.3
93.07040	32.2
95.04943	5.8
95.08599	30.2
97.02866	2.9
97.06525	3.6
98.97552	4.3
102.55703	1.8
105.04333	2.1
105.07027	25.8
107.04939	3.9
107.08577	31.8
108.08988	1.6
109.02870	1.7
109.06516	4.1
109.10138	19.8
116.98566	4.0
117.07016	7.4
119.08566	22.7
121.02849	2.3
121.06473	6.1
121.10145	25.4
123.08041	4.5
123.11660	5.5
129.06931	2.9
131.08536	10.8
133.10104	22.4
134.10486	2.0
134.99678	2.3
135.08029	4.3
135.11685	18.9
137.09616	11.0
137.13275	3.0
140.14311	4.0
143.08531	5.3
145.06474	2.0
145.10101	11.4
147.11684	19.6
149.09593	5.3
149.13248	19.8
151.07658	2.2
151.11145	4.6
153.01804	3.3
153.53651	2.0
155.87790	1.8
157.10124	5.1
159.08049	2.5
159.11670	11.4
161.06000	3.8
161.09624	8.7
161.13252	18.0
163.11140	2.9
163.14748	2.8
166.97191	2.3
167.08330	2.5
171.11635	3.5
173.13269	8.4
175.11145	2.6
175.14841	13.0
177.12889	1.7
179.10614	2.5
183.11690	2.1
185.13188	2.6
187.11156	2.2
187.14803	6.3
189.12729	7.5
189.16420	2.4
191.14313	3.9
197.13196	2.0
199.14745	2.8
201.16383	5.2
203.14359	2.9
203.18100	2.7
205.15884	2.6
211.14796	3.3
215.17912	1.8
228.04123	4.1
229.04909	3.7
233.15192	1.7
245.04602	1.8
257.22650	21.8
271.13431	2.9
274.04639	5.6
281.22488	11.5
295.52927	2.1
299.12933	2.7
299.16577	1.9
299.20239	3.0
299.23618	25.1
301.03433	13.7
302.04181	38.1
303.04544	3.4
312.05972	3.6
317.03156	2.5
317.06503	56.6
317.14301	3.2
317.21124	8.1
317.24716	100.0
318.06876	6.4
318.25183	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	317.2108
Annotation	all-trans-4-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
53.03928	3.6
55.01855	3.0
55.05503	7.5
56.96554	2.7
57.03416	1.3
57.07052	2.4
67.05496	16.1
69.03423	7.0
69.07056	10.0
69.92110	1.9
69.92521	4.8
71.04975	3.8
74.23174	1.1
77.03902	1.4
79.05483	20.3
80.37515	1.1
81.03413	1.8
81.07044	26.5
83.04966	6.0
83.08603	2.7
85.02885	1.4
85.06537	4.5
91.05466	19.5
92.00426	1.2
93.07026	46.2
93.07623	2.2
95.04948	12.9
95.08591	15.4
97.06508	5.2
98.21410	2.0
98.97583	3.2
103.05426	1.6
105.07020	28.2
107.04934	2.8
107.08578	41.4
109.02843	2.2
109.06510	12.3
109.10141	22.9
111.08067	5.0
115.05436	2.4
116.98602	3.5
117.06989	6.6
118.20426	1.3
119.04925	4.5
119.08566	36.7
121.06483	5.9
121.10121	26.0
122.07255	3.2
123.08067	8.1
123.11697	3.5
125.05989	1.5
125.09597	2.6
127.07579	1.8
128.06154	1.3
129.07002	2.4
130.07765	1.6
131.08551	9.3
133.06464	2.6
133.10110	28.2
133.11075	2.1
134.99615	1.7
135.08020	10.8
135.11664	14.8
137.09602	35.8
139.11159	4.2
142.07791	1.9
143.08562	9.0
144.09312	1.5
145.06497	1.4
145.10094	14.3
146.07314	1.3
147.08011	9.1
147.11681	18.8
149.09599	48.8
149.13217	4.3
151.07520	1.8
151.11162	18.0
153.01808	3.3
153.09085	2.1
156.09274	5.8
157.10086	5.7
159.08051	5.8
159.11707	8.4
160.08846	2.0
161.09586	17.1
161.13237	15.4
163.11160	14.2
163.14848	1.5
165.09094	3.2
169.10089	2.4
171.11665	13.2
173.09621	1.8
173.13193	5.9
174.10370	6.0
175.11162	3.3
175.14793	3.0
176.07056	5.2
179.10652	2.4
182.10960	1.3
183.11705	3.0
185.13152	1.8
187.11195	2.3
187.14789	4.1
189.12714	100.0
189.72871	1.5
190.13223	2.9
191.14261	9.5
197.13257	2.8
199.14789	4.1
201.12805	2.7
203.14343	1.6
204.15018	2.0
205.15872	4.8
207.13699	2.3
215.14323	2.7
217.15915	3.0
225.12827	2.4
225.16342	2.1
237.02771	1.6
239.17923	1.8
241.07410	11.9
243.13731	1.8
253.19565	2.3
257.19107	1.6
259.08582	9.5
262.02246	1.4
266.09726	1.3
271.14380	2.1
271.20462	3.5
281.18933	6.6
281.22620	8.1
283.08478	3.0
299.19986	13.8
299.23648	6.9
301.02362	1.5
302.04114	1.2
317.06393	3.5
317.14706	2.6
317.21027	16.2
317.24625	3.9
325.09637	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	317.2109
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03932	3.9
55.05498	10.6
56.96564	3.1
57.07056	5.3
57.83694	1.6
59.04980	3.4
65.03927	1.7
67.05498	26.3
69.03426	8.4
69.07063	16.2
69.83680	4.9
69.84093	4.8
79.05486	20.6
81.03408	2.6
81.07049	62.5
82.07356	1.5
83.04978	20.9
83.08604	5.1
90.37381	1.6
91.05468	25.2
93.07031	31.0
95.04955	22.5
95.08592	33.9
95.62168	1.6
97.02878	2.5
97.06510	8.6
98.21449	2.3
98.97554	2.4
103.05465	2.1
105.07018	41.6
107.04913	8.5
107.08587	31.4
109.06499	20.1
109.09439	3.1
109.10146	38.3
111.04432	4.4
111.08041	3.2
116.98578	2.1
117.07019	4.2
119.08570	42.0
119.09428	2.0
121.06509	6.0
121.10131	28.9
123.04409	1.6
123.08051	27.2
123.11703	41.1
124.08850	7.6
125.05965	6.1
125.09617	3.9
128.98633	1.7
129.06978	3.7
131.08553	13.2
133.06432	2.3
133.10115	43.9
134.10492	2.1
134.99599	2.9
135.08055	7.7
135.11681	7.5
137.05989	1.8
137.09592	13.6
139.07553	2.1
139.11172	4.5
143.08546	5.9
145.06519	1.9
145.10118	11.8
147.08029	33.2
147.11699	10.0
149.06042	2.4
149.09569	8.8
149.13289	3.3
151.07547	4.3
151.11168	100.0
152.08287	3.2
152.11453	2.5
153.01828	3.2
153.09068	2.8
155.08554	2.7
157.10078	5.0
159.08044	4.0
159.11751	9.8
161.09564	8.4
161.13200	8.2
163.07512	2.3
163.11078	2.8
165.09167	7.8
165.62001	1.6
167.10658	5.7
169.10197	2.6
171.11674	7.0
173.09605	5.3
173.13280	8.8
175.11189	3.2
175.14839	2.9
177.09093	3.3
179.10666	4.5
183.11633	1.8
187.11220	2.1
187.14819	9.2
189.12827	2.5
189.16370	4.3
191.10666	3.1
191.14319	4.4
197.13274	4.4
199.11182	2.7
199.14783	2.7
201.12846	2.4
205.12070	2.3
211.14844	2.4
213.16371	3.2
215.14322	6.1
227.17863	1.6
229.12268	2.5
233.15376	7.6
237.30113	1.5
239.17934	2.5
241.15791	2.3
242.30760	1.6
243.13795	7.5
257.18921	3.8
259.16840	4.0
267.11224	4.0
271.20563	3.8
279.15918	4.4
281.18866	2.6
285.12259	5.3
288.92343	2.1
299.20038	9.7
299.23425	3.1
317.06525	4.4
317.17389	23.4
317.21066	75.7
317.24533	4.0
318.21216	4.2
334.99432	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	317.2107
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.02380	3.4
53.03930	6.4
55.01865	5.4
55.05502	21.9
56.96550	7.6
57.03424	2.7
57.06806	2.4
57.07065	5.1
57.65265	2.4
62.61027	2.3
65.03924	3.7
67.05494	33.5
69.03436	15.5
69.07056	32.3
71.04967	8.1
71.59511	3.7
71.59872	2.9
79.05482	36.7
81.03405	56.5
81.07047	53.6
83.04957	15.3
83.08599	15.7
85.06516	8.9
91.05463	36.5
92.50649	3.0
93.07031	57.4
95.04962	19.8
95.08594	56.4
97.02853	3.6
97.06512	24.9
97.10153	11.6
98.97566	5.8
99.04437	2.8
103.05508	3.4
105.07014	59.6
107.04929	9.6
107.08585	68.0
109.02858	5.8
109.06480	17.6
109.10136	43.4
111.04436	3.6
111.08067	62.4
113.09670	3.4
116.98589	6.4
117.07010	7.9
119.08563	72.6
120.08904	3.9
121.06492	10.2
121.10125	65.6
123.04409	6.8
123.08082	20.6
123.11674	19.3
125.05975	6.5
125.09605	12.2
127.07540	3.9
128.06230	3.2
129.06978	5.4
131.08559	15.4
131.09404	2.5
133.06520	4.8
133.10106	61.0
134.99695	4.6
135.08038	31.3
135.11681	38.1
137.05969	3.5
137.09599	27.9
137.13196	6.3
138.10426	2.7
139.11166	9.0
141.06905	2.7
143.08514	8.8
145.10091	23.0
147.08044	14.4
147.11673	33.9
149.09586	57.6
149.13210	11.6
151.07520	7.2
151.11169	24.9
153.01849	5.6
153.09026	6.7
155.02191	3.9
155.08516	4.4
156.09346	5.0
157.10097	9.4
159.08011	5.6
159.11613	14.0
161.09575	21.7
161.13228	29.0
163.11183	17.7
163.14790	3.0
165.09099	10.2
165.12752	9.4
169.10091	4.7
171.11670	13.9
173.09674	4.6
173.13223	11.7
174.10399	5.5
175.11172	11.7
175.14772	23.7
177.09177	2.8
177.12717	4.7
177.16423	7.5
179.10703	23.3
183.11674	4.5
185.13237	4.6
187.11121	6.5
187.14824	4.0
189.12712	52.3
189.16362	24.5
190.13052	3.3
191.10602	4.0
193.15926	3.3
197.13200	5.2
199.14874	4.8
201.12758	6.1
203.14333	6.4
203.17940	5.4
204.14911	3.5
207.13782	8.0
207.17464	9.3
211.14854	5.3
215.14233	4.6
215.17944	3.5
217.12312	3.8
217.15884	10.9
225.12729	3.7
229.12288	3.0
229.19566	3.0
233.15320	4.9
235.16878	9.1
239.17943	5.0
243.11374	3.0
243.13811	8.2
253.19493	7.6
257.19113	5.9
271.20605	5.6
281.18927	7.7
281.22308	2.5
289.21582	5.7
299.20047	28.6
299.23364	4.4
301.03632	2.9
302.04126	8.2
317.06522	10.7
317.17310	5.3
317.21085	100.0
317.24649	13.5
318.21506	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	317.2107
Annotation	rac 4-Hydroxy-9-cis-retinoic Acid
Peak:m/z	Relative Intensity
51.02378	1.4
53.03946	7.8
55.01878	4.3
55.05512	5.7
56.96561	1.1
57.03428	4.5
57.07055	1.1
59.04986	1.0
67.05495	19.8
69.03407	3.8
69.07059	5.6
71.04977	1.4
73.22354	0.9
77.00915	1.0
77.03918	1.1
79.05482	21.9
81.03409	100.0
81.07046	26.1
83.04941	2.5
83.08622	1.9
91.05466	25.8
93.07031	37.6
95.04958	21.1
95.08593	14.0
97.06528	2.0
97.10142	0.9
98.21526	1.6
103.05450	2.8
105.06290	1.1
105.07018	39.5
107.04945	13.7
107.08577	19.3
109.06497	7.4
109.10145	70.8
110.10439	1.8
111.08061	7.8
115.05432	1.1
116.06219	3.5
117.06989	6.3
119.08561	10.1
121.06498	9.9
121.10134	28.3
121.11011	1.8
122.07313	1.3
123.08062	7.8
123.11700	2.6
125.06023	0.8
125.09616	1.3
128.06221	1.2
129.06996	4.4
130.07770	1.4
131.08551	18.3
133.06444	2.4
133.10123	10.4
135.08038	39.5
135.11671	10.8
136.08321	0.9
137.09598	28.1
139.07594	1.8
139.11162	2.5
142.07765	1.6
143.08557	2.0
145.06474	1.7
145.10085	9.1
147.08031	4.4
147.11720	4.2
149.09604	34.4
149.13310	0.9
150.09875	1.3
151.11169	22.0
152.11501	0.9
156.09251	1.0
157.10130	3.0
158.10814	0.9
159.08028	1.5
159.11687	3.5
159.90031	0.9
161.09595	3.5
161.13278	2.9
163.11162	10.5
167.10657	1.8
169.10161	1.7
171.11679	3.0
173.09561	2.1
173.13237	2.5
175.11186	3.2
175.14757	1.6
177.12735	1.6
177.16418	2.3
181.10187	1.1
183.08034	1.0
183.11742	1.7
185.09538	1.6
185.13293	2.2
187.11206	2.1
187.14830	4.1
189.12721	3.5
189.16370	3.7
197.13254	2.7
198.10439	0.9
199.11209	1.6
199.14828	1.8
201.12730	2.4
205.15804	1.2
206.30954	1.0
211.14899	1.3
213.12544	1.1
213.16444	1.3
215.14278	2.2
217.15843	3.1
224.17044	0.9
225.12643	2.2
225.16353	1.3
239.14429	1.7
243.14046	1.1
253.19505	2.6
271.20581	1.5
281.18915	10.9
299.20016	6.7
317.21313	8.0
335.20691	1.6
338.43256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03933	1.3
55.01852	2.4
55.05507	5.5
57.03429	1.0
57.07056	0.9
59.04963	0.7
60.04526	5.5
65.03923	0.9
67.05497	17.1
69.03413	2.1
69.06778	0.5
69.07066	6.1
69.90228	3.2
71.04964	1.2
79.05483	16.8
80.05846	0.5
81.03394	0.9
81.07046	24.5
82.07405	0.8
83.04974	3.1
83.08587	2.2
91.05470	17.3
92.05766	0.6
93.07034	25.1
95.04962	4.3
95.08598	18.0
96.08904	0.8
97.02869	2.3
97.06502	5.3
97.10169	0.9
98.21496	0.7
103.05467	0.9
105.07014	22.2
106.07375	0.6
107.04945	6.4
107.08582	21.5
108.08918	1.0
109.06508	6.7
109.10145	29.1
110.10449	0.7
111.04415	1.8
111.08068	23.9
115.05433	0.7
116.66088	0.6
117.06990	3.4
119.04917	0.7
119.08566	31.5
120.08902	1.0
121.06497	3.7
121.10133	15.7
122.07288	0.7
123.04428	0.7
123.08054	13.4
123.11675	7.8
124.08851	1.3
125.05963	4.8
125.09596	1.2
128.06285	0.6
129.06972	0.7
131.08553	3.5
132.09305	0.6
133.06465	1.2
133.10112	30.8
134.10429	1.1
135.08038	4.9
135.11667	6.3
137.06015	1.2
137.09601	33.2
137.13226	1.6
138.10402	7.1
139.07530	0.6
139.11166	8.3
143.08539	1.8
145.06470	1.2
145.10098	4.1
147.06918	1.0
147.08038	15.6
147.11668	5.5
149.09601	13.6
149.13234	1.5
151.07510	1.6
151.11165	5.0
152.11879	1.4
153.09117	1.1
155.08513	1.2
157.10101	1.2
159.11649	3.9
161.05945	0.9
161.09601	10.8
161.13234	2.6
162.08400	0.6
163.11192	3.2
163.14853	1.0
165.09114	3.1
165.12729	12.5
167.10684	0.8
169.10091	0.9
171.11670	1.0
172.95256	1.1
173.09656	0.9
173.13281	3.6
175.11159	1.3
177.12758	2.0
179.10631	4.7
183.11636	1.2
185.13260	1.3
187.11171	2.1
187.14870	0.8
189.12682	1.9
191.14346	3.2
193.15863	0.7
195.67244	0.7
197.13219	1.7
199.14859	0.7
201.12747	1.0
203.10422	0.7
203.14301	0.6
205.15990	0.5
211.14682	0.8
239.17816	1.0
243.13890	0.9
253.19489	2.5
257.15280	0.6
257.18945	2.1
271.20511	3.9
281.18921	1.2
282.27802	0.9
289.21524	0.7
299.06711	0.6
299.19992	6.9
300.28641	1.0
317.21078	100.0
318.21426	6.2
318.29984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2106
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.47715	1.3
51.87146	1.6
53.03937	4.4
55.05505	9.3
57.03421	3.6
57.07056	4.1
60.04514	1.4
65.03912	3.2
67.05499	31.3
69.03419	2.3
69.06706	2.7
69.07056	26.6
70.22279	5.8
79.05484	64.8
80.05830	1.9
81.03359	1.8
81.07048	36.7
83.04964	6.2
83.08603	3.3
91.05471	48.9
93.03388	1.8
93.07033	59.3
93.07618	3.3
94.07357	1.6
95.04943	15.2
95.08595	27.3
97.06524	11.3
99.04445	3.7
103.05479	2.5
104.21687	1.4
105.03376	2.0
105.04485	1.8
105.07018	56.9
107.04906	3.5
107.08583	56.2
109.06514	14.3
109.10138	40.3
111.03757	2.3
111.04450	15.4
111.08068	84.9
117.06998	6.6
119.04939	3.3
119.08571	53.8
121.06455	4.4
121.10143	14.2
122.07272	3.8
123.04414	24.3
123.08046	27.2
123.11683	18.7
125.05973	24.9
125.09608	4.7
127.11142	1.9
129.07031	2.0
130.07832	1.6
131.08539	12.3
133.06476	2.4
133.10115	87.4
133.85963	1.3
134.10454	1.8
135.08049	3.1
135.11674	19.3
137.05972	14.3
137.09601	42.7
138.10385	21.4
139.07518	5.8
139.11166	21.9
143.08548	5.2
145.10156	8.4
147.08044	7.9
147.11664	15.0
149.13208	3.2
151.07506	4.1
151.11151	16.5
153.09084	17.6
157.10081	3.3
159.11679	5.8
161.09604	20.5
161.13194	1.8
165.09064	12.3
165.12784	2.6
167.10637	4.8
169.08711	1.6
169.10092	3.2
171.11725	2.0
173.09511	1.9
177.09100	1.6
179.10651	77.4
180.10959	3.7
180.53241	1.8
181.12202	4.0
183.11696	2.6
185.13304	2.0
187.11198	2.4
189.09117	3.6
191.10637	4.8
193.12267	1.9
197.13313	2.2
201.16261	2.1
203.10641	2.1
205.12262	7.3
207.10199	2.9
215.10719	2.2
217.12206	3.7
219.13747	4.8
229.12190	9.0
231.13799	4.9
233.15292	3.3
243.13849	12.0
245.15337	5.7
257.15344	5.0
257.91788	1.4
259.16870	3.6
261.18604	2.0
271.16873	4.1
275.20016	2.4
289.21439	3.1
299.20020	42.4
300.20383	2.5
302.54410	1.4
317.17853	6.1
317.21078	100.0
318.21466	4.8
318.30130	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03931	2.8
55.01859	1.5
55.05503	9.5
56.96567	1.2
57.07061	3.3
60.04519	29.5
61.04845	4.9
65.03947	2.2
67.05492	17.5
69.03425	12.4
69.07068	7.5
69.51891	10.8
75.10882	1.2
79.05485	14.2
81.03384	3.4
81.07042	26.5
82.07384	1.5
83.04967	27.1
83.08592	3.8
91.05470	16.9
93.07031	25.9
95.04976	7.3
95.08592	25.2
96.08936	1.9
97.02888	1.7
97.06524	6.7
98.97543	1.9
105.07022	29.5
106.07363	1.5
107.04950	4.8
107.08589	22.8
109.06507	12.8
109.10144	27.2
110.10452	1.9
111.04433	4.2
111.08054	3.3
112.26096	1.4
116.98605	2.4
117.06991	3.3
119.07787	2.0
119.08572	28.0
119.28260	1.3
121.06497	2.9
121.10129	15.7
123.08083	8.1
123.11676	9.0
125.05971	5.2
125.09602	3.7
129.06990	2.3
131.08553	10.2
133.06416	2.4
133.10117	22.3
134.10506	1.6
134.99611	1.9
135.07988	4.6
135.11674	6.3
137.05957	2.8
137.09601	11.4
137.13188	1.9
139.07565	1.4
139.11189	3.7
143.08572	2.3
145.10098	10.8
147.08061	5.0
147.11665	6.9
149.09590	6.3
149.13127	1.6
151.07541	6.2
151.11162	90.9
152.11493	1.6
153.09087	2.0
157.10117	4.6
159.08060	4.7
159.11688	7.2
161.09612	7.4
161.13202	3.0
163.07506	1.7
165.12755	3.5
169.10107	2.0
171.11717	4.6
173.09615	3.2
173.13168	7.6
175.14755	1.8
177.09143	2.4
179.10689	4.2
183.11693	1.7
187.11159	2.2
187.14828	9.9
189.12717	3.4
191.10643	1.9
191.14357	4.0
197.13274	4.2
199.14841	2.6
201.12706	2.6
207.13814	1.5
213.16544	1.9
215.14293	7.8
231.61932	1.4
233.15303	9.2
241.15872	1.6
243.13779	4.1
253.19524	1.6
257.18958	4.0
259.16907	5.7
271.20502	2.2
279.15906	4.7
281.26663	3.4
288.92181	1.9
299.19955	4.7
299.27646	3.9
317.06552	3.0
317.21069	100.0
317.28616	14.0
318.21347	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	317.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90965	0.6
54.29846	0.5
55.77890	0.5
58.48186	0.5
85.02890	1.0
86.35751	0.6
140.69789	0.6
144.79718	0.5
155.06775	14.8
185.04196	13.3
187.36899	0.6
191.77133	0.7
203.05197	5.7
212.24936	0.7
317.12024	100.0
318.12418	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03936	2.1
55.01862	2.3
55.05498	13.4
57.03410	2.6
57.07069	3.9
58.43237	1.5
59.05001	1.8
63.24129	1.4
64.35404	1.3
64.77596	1.6
67.05499	16.2
69.03416	4.9
69.07059	17.7
69.25504	17.2
70.06608	2.1
71.08649	1.9
79.05497	5.6
81.03408	52.8
81.07045	22.1
83.04957	8.6
83.08598	8.5
85.06530	1.9
88.07631	4.8
91.05463	8.0
93.07024	19.6
95.04972	7.8
95.08599	27.4
97.06512	26.9
97.10169	3.1
99.08133	1.4
100.59274	1.3
105.07011	15.9
106.08666	1.9
107.08578	14.2
109.02867	4.6
109.06488	7.6
109.10144	27.4
111.08067	100.0
112.08331	1.5
113.06060	1.9
115.82039	1.4
119.08567	24.5
121.06477	3.6
121.10123	20.9
122.07146	1.5
123.04402	3.3
123.08051	19.2
123.11691	14.2
125.05984	3.7
125.09590	2.4
131.08560	3.0
133.06470	2.4
133.10126	26.7
135.08054	6.0
135.11676	11.5
137.09616	26.8
137.13264	3.1
138.10390	4.4
139.11157	7.5
139.77550	1.6
145.06523	1.7
145.10127	2.9
147.07996	3.3
147.11700	15.0
149.05962	2.3
149.09608	8.0
149.13240	5.3
151.07550	3.6
151.11153	4.5
153.09044	1.6
153.12721	1.4
157.10098	3.0
159.11717	3.2
161.09596	5.6
161.13295	4.7
163.11214	1.6
165.09036	7.4
173.13234	5.5
175.11214	4.7
175.14809	19.7
177.12724	2.5
179.10628	13.7
189.12752	1.8
189.16351	35.2
191.10709	1.7
193.15903	6.1
199.14819	2.0
201.12651	1.7
203.14252	2.5
207.17422	15.4
217.15817	12.9
223.66814	1.3
235.16908	20.6
281.19070	3.3
289.21664	2.8
299.20200	6.8
317.06589	3.5
317.21118	75.2
317.32397	27.4
318.21341	3.3
318.29865	3.4
335.20639	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Milimorin
Peak:m/z	Relative Intensity
50.47885	0.3
53.00291	0.2
55.05500	0.6
56.96551	0.4
57.07045	0.3
64.70483	0.2
65.03934	0.7
67.05479	1.1
68.99783	0.9
69.03419	0.8
69.07047	0.5
71.59682	0.3
71.60036	0.3
77.22588	0.3
79.05489	1.0
81.03405	0.8
81.07053	2.5
81.53646	0.3
83.04950	0.6
84.08115	0.4
85.02903	0.5
91.05492	1.4
92.02621	3.2
93.03380	2.9
93.07021	1.9
95.01317	0.5
95.04960	1.2
95.08575	1.4
95.64397	0.3
97.02879	0.4
97.06490	0.3
105.07020	1.6
107.04931	0.4
107.08565	0.8
109.02879	1.7
109.06520	0.5
109.10156	0.8
111.00800	0.5
111.08051	0.4
112.11272	0.3
116.98595	0.3
117.07005	0.3
119.08577	0.8
120.04482	0.4
121.02845	2.0
121.06490	4.4
121.10133	1.2
122.06826	1.9
123.04459	0.4
123.08008	0.4
123.11627	0.3
126.03132	1.0
127.04022	0.3
131.08578	0.3
133.10077	0.9
135.08000	0.5
135.11710	0.4
137.02328	0.7
137.06015	0.6
137.09598	0.6
139.03864	1.4
143.03413	0.3
145.10112	1.1
146.34804	0.3
147.11649	0.4
149.09634	0.7
151.03909	1.5
151.07509	0.3
152.14326	1.6
153.01813	19.4
153.14679	0.8
154.02144	0.6
155.02271	0.7
155.04829	0.5
161.05898	0.4
161.09628	0.3
161.13225	0.3
163.03949	0.5
165.01826	0.9
165.09094	0.4
173.06035	0.5
177.05428	0.6
183.02940	0.4
187.02380	0.3
187.03912	0.3
189.05563	0.4
197.09576	0.3
200.04686	0.7
201.05486	1.6
203.03372	1.3
205.04996	0.3
210.85583	0.3
217.04968	2.7
218.02492	0.3
218.05679	1.4
218.11897	0.3
219.02878	0.8
228.04140	3.5
229.04922	7.4
229.16988	0.3
231.02850	1.1
243.06638	0.3
245.04428	4.1
246.05243	3.4
256.03577	0.5
257.04416	4.7
258.04944	0.4
260.03119	0.8
261.07480	0.4
271.05869	0.5
272.20032	2.4
273.03873	3.0
273.20383	5.1
274.04657	7.0
284.03165	1.0
285.03900	8.4
286.04413	0.4
287.01944	0.4
288.06302	0.4
290.64078	0.3
299.20111	0.7
301.03293	0.4
302.04178	20.2
303.04568	0.6
316.22635	1.5
317.06525	100.0
317.23163	5.2
318.06747	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	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
56.96551	0.5
62.41387	0.3
67.05499	0.3
68.99790	0.5
69.74477	0.2
70.94140	0.9
78.01070	0.4
78.24966	0.4
79.05470	0.3
81.07040	1.2
85.06509	1.0
91.05463	0.7
93.07013	0.6
95.08582	0.8
105.07002	0.5
105.97100	0.3
107.08578	0.7
109.10141	0.8
110.03647	2.8
117.34325	0.3
119.08591	0.5
121.02828	0.4
121.10108	0.9
124.01630	0.3
126.03157	0.4
130.06554	0.6
131.08571	0.6
133.10132	0.7
135.11674	0.4
136.01538	0.3
137.02341	4.5
145.10112	0.4
149.13188	0.4
150.03177	0.5
153.01837	2.4
158.06018	0.6
159.11696	0.6
163.72398	0.3
171.11685	0.4
176.04713	0.3
177.05524	0.3
186.03212	0.4
186.05478	0.7
187.14827	0.5
189.12761	0.4
192.04097	0.4
193.01357	0.7
199.14804	0.4
200.04657	2.6
204.04210	1.8
215.03375	0.3
217.05005	0.8
218.05737	0.4
228.04161	7.4
229.04930	3.0
231.02844	0.3
245.04440	3.5
246.05226	0.3
256.03607	1.4
257.04480	3.1
266.58295	0.3
273.03928	1.7
274.04733	8.7
275.05002	0.4
281.22662	2.0
285.03931	2.6
299.10208	0.3
299.23749	1.8
301.03439	27.5
302.04205	76.1
303.04498	1.0
317.06558	100.0
317.24744	0.8
318.06848	1.8
336.93530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0645
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01861	0.2
61.93821	0.1
65.03917	0.2
66.01078	0.6
67.05458	0.1
68.02627	0.1
68.46571	0.1
68.99785	0.5
69.35707	0.7
71.01328	0.1
78.01064	0.4
81.03380	0.3
81.07026	0.1
84.02097	0.2
91.05451	0.2
92.02602	0.8
93.03384	0.3
94.04165	0.1
95.01263	0.1
98.21495	0.1
101.15623	0.1
108.02050	0.2
109.02831	0.2
109.10105	0.1
110.03645	3.2
111.00764	0.1
114.80809	0.1
116.06235	0.1
119.08524	0.1
120.02046	0.1
121.02864	0.5
123.04343	0.1
124.01508	0.1
126.03116	0.6
127.03858	0.2
130.29175	0.1
131.04865	0.1
133.10052	0.1
135.04372	0.1
136.01540	0.4
137.02322	6.3
144.05667	0.1
144.58223	0.1
147.04376	0.1
149.02310	0.2
150.03078	0.5
151.03897	0.1
152.01015	0.1
153.01810	3.6
154.02524	0.2
158.05899	0.1
160.05222	0.1
161.05905	0.1
162.03108	0.1
162.45218	0.1
163.03893	0.2
165.01819	0.4
166.02573	0.3
170.02086	0.2
171.04446	0.1
172.05136	0.3
173.05931	0.1
175.03789	0.1
176.04660	0.3
177.05415	0.2
179.03304	0.1
183.04376	0.1
184.05167	0.1
186.03069	0.3
187.03889	0.2
189.05527	0.2
192.04102	0.3
193.01285	1.0
200.04646	2.6
201.05402	0.3
203.03389	0.6
204.04153	1.5
205.04910	0.3
210.01591	0.1
211.03839	0.1
213.05452	0.1
214.02568	0.1
215.03406	0.4
217.04897	1.0
218.05748	0.6
219.02873	0.2
227.03334	0.3
228.04129	8.9
229.04916	4.7
230.05423	0.1
231.02850	0.4
232.03674	0.2
239.03246	0.1
243.06430	0.2
245.04425	4.2
246.05106	0.7
255.02779	0.3
256.03629	1.4
257.04413	3.4
258.05191	0.1
260.03217	0.1
267.05103	0.1
271.05878	0.2
273.03860	2.4
274.04672	10.3
275.05106	0.2
284.03232	0.1
285.03891	3.3
288.02505	0.1
289.06937	0.3
299.05533	0.1
301.03387	32.2
302.04156	85.3
303.04501	1.4
316.05435	0.1
317.06500	100.0
318.06854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
61.02766	0.1
63.02364	0.2
65.03934	0.7
67.01855	0.3
67.05515	0.3
68.74980	0.1
68.99780	0.6
69.03432	0.2
69.93437	0.2
71.04977	0.3
71.59580	0.2
78.18255	0.2
79.05479	0.2
81.03429	0.2
85.02896	0.3
90.21881	0.1
91.05437	0.2
92.02619	3.1
93.03405	2.8
95.04947	0.2
102.83279	0.2
105.07051	0.2
107.04942	1.5
109.02859	0.7
111.00821	0.4
111.02457	0.2
119.98408	0.2
120.02080	0.2
121.02855	2.2
121.06462	0.2
122.03692	0.3
124.01525	0.2
126.03113	1.3
137.02351	0.8
139.03897	1.5
145.06461	0.4
147.04373	0.2
148.35468	0.2
149.02354	0.2
149.09727	0.1
150.03085	0.2
151.03911	1.3
153.01814	18.6
154.02151	0.3
155.02364	0.2
155.04956	0.5
163.03920	0.4
165.01813	1.0
166.02588	0.4
170.02182	0.3
172.05276	0.2
173.05931	0.3
176.04684	0.3
177.05492	0.4
179.03401	0.5
183.02873	0.3
183.04370	0.4
187.03845	0.4
189.05463	0.3
190.06184	0.2
191.03394	0.2
192.04169	0.2
199.19591	0.2
200.04689	0.7
201.05478	1.9
203.01637	0.2
203.03387	1.7
204.04179	0.5
217.04944	3.5
218.05640	1.2
219.02870	0.8
228.04152	4.4
229.04924	7.3
230.05299	0.2
231.02887	1.0
232.03680	0.4
233.04492	0.3
243.06674	0.2
245.04420	4.2
246.05179	3.5
256.03671	0.6
257.04453	4.6
258.04984	0.2
260.03140	0.6
261.07596	0.3
271.05957	0.4
273.03903	3.8
274.04688	7.0
275.05011	0.3
284.03134	0.8
285.00760	0.3
285.03906	7.0
286.04456	0.3
287.01874	0.4
288.06305	0.3
301.03387	1.9
302.04184	23.2
303.04532	0.6
317.06525	100.0
318.03629	0.3
318.06894	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.2
56.96550	0.9
57.07072	13.1
60.04520	2.3
62.06061	0.5
67.05488	1.0
69.07047	0.9
70.06193	0.8
70.06584	15.7
70.51818	1.7
71.08626	6.9
79.05464	1.8
81.07024	1.8
83.08633	0.5
85.10175	3.7
87.04470	0.7
87.43694	0.4
88.07625	22.9
91.05452	1.0
93.07028	1.9
95.08559	1.1
97.06517	1.5
98.97569	1.1
105.07018	1.7
106.08657	28.8
107.08565	1.4
109.06461	0.9
109.10143	1.6
111.08065	2.0
116.98618	0.7
119.08573	1.6
121.10130	1.1
123.04442	0.6
123.08064	1.0
125.05963	0.5
131.08572	0.7
133.10126	2.5
134.99641	1.1
135.08009	0.5
135.11682	0.6
137.09601	0.9
138.10342	0.5
147.07962	0.5
147.11615	0.6
150.05289	0.5
151.11047	0.6
158.01343	0.6
161.09554	0.6
172.90968	0.4
179.10614	1.3
215.28198	0.5
219.91714	0.5
231.07539	0.5
287.62952	0.5
288.92133	0.7
298.31033	0.6
306.41373	0.5
316.32050	100.0
317.06503	0.7
317.21042	3.4
317.32425	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	317.0655
Annotation	Milimorin
Peak:m/z	Relative Intensity
50.47885	0.3
53.00291	0.2
55.05500	0.6
56.96551	0.4
57.07045	0.3
64.70483	0.2
65.03934	0.7
67.05479	1.1
68.99783	0.9
69.03419	0.8
69.07047	0.5
71.59682	0.3
71.60036	0.3
77.22588	0.3
79.05489	1.0
81.03405	0.8
81.07053	2.5
81.53646	0.3
83.04950	0.6
84.08115	0.4
85.02903	0.5
91.05492	1.4
92.02621	3.2
93.03380	2.9
93.07021	1.9
95.01317	0.5
95.04960	1.2
95.08575	1.4
95.64397	0.3
97.02879	0.4
97.06490	0.3
105.07020	1.6
107.04931	0.4
107.08565	0.8
109.02879	1.7
109.06520	0.5
109.10156	0.8
111.00800	0.5
111.08051	0.4
112.11272	0.3
116.98595	0.3
117.07005	0.3
119.08577	0.8
120.04482	0.4
121.02845	2.0
121.06490	4.4
121.10133	1.2
122.06826	1.9
123.04459	0.4
123.08008	0.4
123.11627	0.3
126.03132	1.0
127.04022	0.3
131.08578	0.3
133.10077	0.9
135.08000	0.5
135.11710	0.4
137.02328	0.7
137.06015	0.6
137.09598	0.6
139.03864	1.4
143.03413	0.3
145.10112	1.1
146.34804	0.3
147.11649	0.4
149.09634	0.7
151.03909	1.5
151.07509	0.3
152.14326	1.6
153.01813	19.4
153.14679	0.8
154.02144	0.6
155.02271	0.7
155.04829	0.5
161.05898	0.4
161.09628	0.3
161.13225	0.3
163.03949	0.5
165.01826	0.9
165.09094	0.4
173.06035	0.5
177.05428	0.6
183.02940	0.4
187.02380	0.3
187.03912	0.3
189.05563	0.4
197.09576	0.3
200.04686	0.7
201.05486	1.6
203.03372	1.3
205.04996	0.3
210.85583	0.3
217.04968	2.7
218.02492	0.3
218.05679	1.4
218.11897	0.3
219.02878	0.8
228.04140	3.5
229.04922	7.4
229.16988	0.3
231.02850	1.1
243.06638	0.3
245.04428	4.1
246.05243	3.4
256.03577	0.5
257.04416	4.7
258.04944	0.4
260.03119	0.8
261.07480	0.4
271.05869	0.5
272.20032	2.4
273.03873	3.0
273.20383	5.1
274.04657	7.0
284.03165	1.0
285.03900	8.4
286.04413	0.4
287.01944	0.4
288.06302	0.4
290.64078	0.3
299.20111	0.7
301.03293	0.4
302.04178	20.2
303.04568	0.6
316.22635	1.5
317.06525	100.0
317.23163	5.2
318.06747	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	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01876	0.4
55.05510	4.6
56.05027	4.1
57.03432	1.3
57.07069	2.5
60.04520	100.0
61.04874	0.5
64.76309	0.5
67.05500	9.4
69.03429	0.5
69.07064	5.1
70.06587	1.1
70.78033	0.9
70.78367	0.4
71.08623	0.6
72.04518	1.8
74.06076	2.6
79.05499	3.9
80.05027	0.7
81.03420	1.1
81.07050	8.3
82.06580	1.5
83.04951	0.6
83.08611	3.2
86.06067	0.7
87.04456	2.0
88.07632	0.5
88.40327	0.4
90.05559	1.8
91.05473	2.6
93.07039	3.5
94.06568	0.8
95.04944	0.8
95.08598	7.4
96.08145	0.5
97.06552	0.7
97.10173	1.7
98.06056	0.4
105.07018	1.5
107.08595	1.8
108.08173	0.5
109.10143	3.4
110.10500	0.4
111.11749	0.5
116.07137	0.8
116.98588	0.5
119.08593	1.7
121.10159	1.4
123.11709	1.2
133.10143	1.2
135.11684	1.0
137.09651	0.5
147.11707	0.8
151.07588	0.5
250.25266	1.6
256.26321	1.1
262.25342	2.3
262.27756	0.4
268.26514	0.8
280.26331	12.7
280.29291	0.9
298.27374	11.8
299.28012	0.5
316.28424	36.9
317.21082	0.6
317.28711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.268
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
55.05492	9.6
56.96540	8.7
56.96799	2.7
57.07064	5.9
58.29550	2.5
60.04509	6.2
67.05497	26.4
69.07065	14.9
76.38274	3.1
79.05501	20.1
81.07043	53.6
83.08617	12.9
91.05472	23.2
93.07040	43.9
95.04980	4.6
95.08600	50.4
97.06532	3.0
98.21535	3.7
98.97569	9.8
105.07023	38.5
106.08659	5.8
107.08585	40.8
109.06493	3.5
109.10143	36.8
110.78747	2.8
111.08060	24.8
116.98591	10.5
117.06964	5.4
119.08559	37.0
121.10128	39.8
123.08044	4.5
123.11678	11.8
125.09642	2.7
129.06960	4.6
131.08577	13.4
133.10115	31.1
134.99643	12.7
135.08060	5.4
135.11700	37.3
137.09598	5.0
139.11137	2.5
143.08490	3.8
145.10135	17.9
147.11685	42.9
148.56886	2.6
149.09613	17.0
149.13242	18.9
151.11176	5.4
153.00719	3.8
153.01805	16.4
157.10104	4.3
159.11710	19.4
161.13242	53.9
163.14804	10.8
165.12798	4.4
173.13268	11.2
175.14809	24.1
177.16362	3.1
179.14304	5.1
187.14804	10.4
187.26472	2.9
189.16362	8.0
199.14886	3.3
201.16341	12.0
203.18037	3.7
205.15855	4.3
213.16342	4.7
215.10701	3.9
215.18013	16.9
219.17329	3.2
227.18141	2.7
229.19640	4.2
233.18977	3.4
241.13654	2.7
255.21030	5.8
257.22632	30.7
268.94101	3.1
291.94711	3.4
297.25690	31.4
315.07562	10.1
315.19449	10.9
315.26810	100.0
316.31906	5.3
319.00021	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	315.1951
Annotation	6beta-Angeloyloxyeuryopsin
Peak:m/z	Relative Intensity
53.03921	4.1
53.67241	2.2
55.01859	14.8
55.05501	8.2
56.96548	8.1
57.07059	5.5
58.60957	2.3
59.58833	2.3
65.03954	2.2
67.05494	30.2
69.03428	5.2
69.07054	8.1
70.78487	5.1
71.04982	2.6
79.05478	30.5
80.06271	2.6
81.03408	19.4
81.07049	41.6
83.01328	5.3
83.04980	5.4
83.08614	3.9
91.05469	30.3
93.07032	28.5
95.04958	34.9
95.08594	24.8
96.05719	3.6
97.06520	5.5
98.97575	5.4
103.05491	4.0
105.03373	6.9
105.07022	30.4
107.04929	4.3
107.08582	50.5
109.02851	3.1
109.06506	31.4
109.10139	15.9
111.08042	14.1
113.05969	3.8
115.05419	11.9
116.98601	9.1
117.07012	40.9
119.08582	21.9
121.06495	25.2
121.10126	44.7
123.04409	3.8
123.08080	13.7
123.11684	35.0
125.05976	2.5
125.09617	33.6
131.08563	14.8
133.06465	3.9
133.10130	23.2
134.99655	8.0
135.08034	63.1
135.11659	6.3
136.08826	2.9
137.05919	2.5
137.09627	15.1
139.11186	2.5
143.08522	3.6
145.06496	21.9
145.10110	24.1
147.08023	3.7
147.11647	14.5
149.02350	3.6
149.05994	12.7
149.09593	27.8
149.13261	3.5
151.11169	11.3
153.01877	11.5
155.10648	5.0
157.10095	5.4
159.08008	15.5
159.11661	7.0
160.08759	4.2
161.09558	4.6
161.13219	3.2
163.07530	100.0
163.11176	4.9
164.08273	6.5
169.10042	2.8
171.11662	2.8
173.09540	16.4
173.13286	9.2
174.10652	2.6
175.11165	3.4
177.09082	10.1
177.12720	4.2
179.10826	2.6
182.10919	2.9
187.11172	6.0
187.14812	26.2
189.12714	3.9
189.16373	6.2
191.14284	11.9
197.01277	3.3
197.13243	7.3
205.12177	2.9
205.15843	14.7
215.10698	8.7
215.14290	61.9
219.13876	2.3
229.08698	3.3
233.15317	42.1
251.16408	25.4
268.94037	4.0
271.13248	5.1
291.95496	2.6
297.18445	9.0
315.07513	4.4
315.15884	9.2
315.19498	29.1
315.23260	5.2
316.22345	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1952
Annotation	6beta-Angeloyloxyeuryopsin
Peak:m/z	Relative Intensity
53.03933	4.8
55.01864	12.1
55.05492	12.6
56.96555	17.0
57.07069	11.2
67.05157	6.8
67.05495	62.3
69.03405	11.5
69.07052	20.2
69.26283	39.6
79.05488	24.3
81.03409	83.1
81.07053	34.7
83.04959	12.8
83.08609	7.8
85.06525	4.4
91.05475	26.7
93.07037	36.5
95.04962	86.4
95.08595	56.5
95.30814	3.6
97.06525	11.6
98.97587	5.4
103.05488	5.1
105.07030	37.7
107.04966	4.4
107.08588	49.1
107.28209	3.8
109.02863	16.0
109.06509	15.7
109.10146	40.9
111.04412	4.4
111.08084	24.1
111.08733	3.6
113.06033	5.3
113.09660	3.8
115.05445	5.4
116.98603	12.4
117.07001	14.2
119.08585	38.7
121.06478	25.7
121.10140	80.2
122.07283	4.3
123.04424	12.9
123.08064	15.7
123.11710	14.5
125.09583	4.7
129.07022	5.6
131.08569	28.7
132.40350	3.4
133.06503	5.1
133.10123	100.0
134.99640	9.8
135.08073	33.0
135.11684	16.7
137.09593	49.2
138.36876	3.6
139.07492	7.3
139.11130	5.9
141.81412	3.9
143.08525	7.2
145.06476	6.1
145.10103	29.0
146.99651	7.1
147.08020	5.6
147.11690	18.4
149.09608	44.0
149.13235	6.7
151.07478	4.4
151.11186	3.9
153.01764	21.6
155.08572	4.4
155.10645	40.0
157.10110	11.3
158.10899	7.0
159.08058	17.6
159.11667	14.9
161.09604	10.9
161.13222	8.2
163.07552	32.1
163.14804	8.4
164.08299	17.0
171.11714	7.3
172.12485	10.8
173.09621	21.7
173.13261	46.2
174.10388	4.7
175.07567	5.9
175.11186	7.0
177.09171	18.3
177.12766	5.9
177.16389	4.8
179.10709	7.9
182.10918	4.8
183.11703	4.9
185.13229	3.7
187.11235	6.5
187.14806	66.0
189.12743	23.1
189.16357	13.1
191.14293	47.7
197.13266	10.8
201.12923	3.9
205.15857	27.4
207.17545	4.6
215.14311	47.5
233.13196	6.6
233.15349	78.6
255.17094	3.6
265.19772	4.1
268.93781	4.9
269.19049	4.5
297.18451	32.3
297.21826	7.2
315.07648	4.1
315.15875	8.7
315.19470	42.5
315.22910	8.3
333.17307	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	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03953	0.5
55.05500	0.6
56.96548	1.6
57.07064	0.6
57.94647	0.4
60.04515	1.0
66.65228	0.5
67.05488	1.4
69.07043	0.7
71.59451	0.6
79.05491	3.4
79.05884	0.6
81.07050	2.0
91.05481	3.8
93.07038	6.9
95.04945	1.5
95.08600	1.5
98.37020	0.5
98.97575	1.4
101.74267	0.4
105.07021	5.9
107.08574	3.0
109.02859	0.5
109.06493	0.6
109.10152	1.8
116.98611	2.7
117.06932	0.5
119.08602	2.8
121.10137	8.7
123.08074	1.5
123.11697	0.6
128.72101	0.5
129.06964	0.7
131.08577	1.2
133.10124	1.5
134.99670	2.0
135.08080	0.8
137.09621	1.2
143.03432	0.4
149.09613	100.0
150.09961	1.4
153.01833	3.3
159.11644	0.8
161.09604	0.7
163.11185	0.4
165.71867	0.4
167.43066	0.5
173.09578	0.5
173.13315	1.1
174.10403	0.5
175.11189	2.2
179.10692	0.7
187.11122	0.5
189.12746	2.7
191.14337	0.8
191.34230	0.5
199.14948	0.6
255.17526	0.7
257.22656	0.8
268.93848	0.6
291.95001	1.2
297.18652	1.0
315.07587	2.0
315.15826	1.3
315.19534	2.8
315.22842	0.7
333.08554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1952
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03930	3.4
55.01869	1.8
55.05507	5.0
56.53273	0.5
57.03436	1.0
57.07066	1.9
65.03923	1.3
67.05501	11.2
69.03423	8.5
69.07062	11.2
69.41157	4.8
71.04983	0.7
77.77305	0.4
79.01862	0.6
79.05053	0.7
79.05491	9.1
81.03410	100.0
81.07047	13.5
83.04980	5.2
83.08611	4.4
85.02917	0.7
85.06536	1.5
85.84906	0.5
91.05473	9.9
93.07037	14.4
95.04961	12.5
95.08598	11.7
97.02884	1.2
97.06515	4.7
97.10170	0.9
98.97559	1.0
103.05460	1.1
105.07018	13.7
107.04953	3.2
107.07857	1.3
107.08583	26.4
109.02872	10.0
109.06509	6.1
109.10146	17.9
111.04425	0.7
111.08073	9.3
115.05473	0.9
116.98617	0.9
117.07026	3.9
117.99097	0.5
119.04957	1.3
119.08572	13.7
121.06483	6.9
121.10134	25.1
122.07277	0.8
123.04411	3.8
123.08056	11.2
123.11697	4.3
125.05968	1.1
125.09610	2.7
127.03897	0.9
127.07573	1.1
128.06215	0.9
129.06999	2.1
130.07808	0.6
131.04910	1.6
131.08556	10.9
133.06477	2.3
133.10124	16.3
135.08041	12.7
135.11673	6.6
136.08827	0.6
137.05997	1.1
137.09610	12.4
138.10417	2.9
139.11174	1.6
141.07008	0.6
142.07811	0.8
143.08569	5.1
144.09319	1.4
145.06418	2.8
145.10117	10.9
147.08035	2.6
147.11667	10.4
149.05972	2.0
149.09610	21.4
149.13252	6.5
151.07520	2.7
151.11182	5.1
153.01813	8.1
153.09145	1.4
155.08571	1.4
156.09361	1.3
157.10121	4.5
158.10889	3.3
159.08040	4.0
159.11691	5.5
161.09612	6.8
161.13234	7.3
163.02531	0.5
163.07515	2.9
163.11174	2.7
163.14824	5.6
165.09128	2.3
165.12744	1.1
167.08594	0.7
169.10129	1.4
170.10907	0.7
171.08029	1.4
171.11671	3.8
172.12451	1.5
173.09657	3.9
173.13254	18.3
174.10410	2.8
175.07579	1.2
175.11198	2.3
175.14789	1.0
177.09116	4.1
177.12764	1.2
177.16359	3.6
179.09073	0.9
179.10654	17.1
180.09338	0.6
181.10155	1.2
183.11707	1.2
185.09628	2.0
185.13283	1.3
187.11140	3.2
187.14801	15.3
187.16414	0.9
188.15503	0.7
189.09105	1.5
189.12714	12.8
189.16342	3.9
191.10660	1.6
191.14287	23.3
195.11685	1.8
197.09624	1.5
197.13268	2.1
199.11189	3.1
200.11929	0.7
201.09151	0.9
201.12749	1.6
203.10707	0.9
203.14328	1.5
205.12276	1.6
205.15857	10.5
207.17419	4.3
209.09624	0.8
209.13231	1.5
211.14821	1.1
213.12766	3.5
213.16380	0.7
215.14296	7.6
223.11116	1.5
223.14859	0.6
225.16397	0.8
227.10693	1.8
227.14304	1.4
227.17892	0.6
229.15811	1.1
233.15343	8.6
237.12869	0.6
237.16374	0.7
239.14359	0.8
241.12233	1.6
241.19641	0.6
251.17970	1.8
253.15793	1.0
255.17476	1.4
261.16513	0.8
267.17496	0.6
269.18958	10.3
271.17038	0.6
279.17361	4.2
287.20151	2.4
297.18442	12.4
315.19531	34.1
316.19788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
51.25029	1.5
53.03938	3.2
53.90210	1.2
54.73818	1.1
55.01867	3.4
55.05498	4.9
55.98230	1.2
57.07053	1.9
59.88976	1.2
65.03925	2.2
67.05499	15.0
67.07702	1.0
69.03409	2.4
69.07054	9.3
70.56241	1.8
70.56566	2.3
74.81676	1.2
79.05482	29.7
81.03402	2.3
81.07042	23.6
83.04972	5.2
83.08599	3.0
91.05468	18.6
93.07031	48.2
94.07374	1.1
95.04958	7.9
95.08598	12.1
97.02911	1.7
97.06523	8.4
98.97594	1.7
103.05479	1.8
105.07015	29.8
107.04922	1.9
107.08579	32.5
109.06525	5.5
109.10136	11.7
111.04409	7.1
111.08070	7.0
115.05487	1.6
116.98612	1.5
117.06999	5.6
119.08562	49.1
121.06470	8.8
121.10127	47.0
121.11015	1.6
123.04406	4.4
123.08065	4.3
125.05974	25.4
125.09664	2.4
129.06999	3.3
131.08586	7.7
133.06448	2.5
133.10107	27.0
134.99673	1.6
135.08052	8.4
135.11678	17.4
137.05966	2.5
137.09601	16.4
139.07523	25.2
139.08504	1.1
139.49626	1.1
141.07008	1.4
142.07626	1.4
143.08554	6.2
144.09268	1.3
145.10112	16.4
147.08011	3.6
147.11755	2.6
149.08405	1.6
149.09596	27.5
149.13268	1.7
151.07556	3.1
151.11226	2.2
153.01816	7.7
153.05476	1.3
153.09084	3.9
155.08647	1.7
157.10092	6.1
159.11673	8.7
161.09642	2.5
161.13329	1.3
163.11171	40.1
163.12541	2.6
169.10100	1.8
171.11655	5.5
173.13229	3.4
175.11179	2.3
177.12729	25.3
179.10622	5.6
181.09959	1.9
181.12349	1.4
183.11707	2.2
184.41927	1.3
185.13174	5.5
187.11172	1.6
187.14822	1.6
189.12747	2.1
191.14247	2.5
195.11716	2.9
199.14796	3.4
200.15617	2.0
201.12762	1.8
208.65894	1.2
209.13258	3.4
217.12195	3.9
225.16336	1.3
229.12216	1.6
231.13777	3.3
241.12196	3.5
245.11646	1.7
251.18030	2.0
255.13828	5.9
258.55157	1.3
259.13123	2.7
266.96024	1.5
269.18903	1.8
273.18445	3.3
285.18625	2.0
287.20050	5.7
297.18442	49.5
298.18811	1.5
300.43381	1.2
315.19522	100.0
316.19958	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0704
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02371	0.5
53.03933	0.8
55.01861	0.4
56.93435	0.3
57.03419	0.6
58.41053	0.3
58.55305	0.3
61.02911	0.5
64.69244	0.4
69.03417	4.8
69.26147	1.0
69.26573	2.2
74.05878	0.2
77.76282	0.3
78.53435	0.3
79.01841	5.6
79.05502	0.4
81.03409	6.4
81.07035	0.3
83.04954	0.3
85.02903	4.6
93.07053	0.3
97.02874	2.8
97.04047	0.3
99.04422	0.7
105.85741	0.2
107.01299	2.3
109.02863	5.2
109.39969	0.2
110.44424	0.3
119.08541	0.4
125.02328	4.2
127.03899	4.7
137.05936	0.3
143.03383	7.8
145.04889	0.3
153.01811	100.0
154.02124	0.8
171.02863	5.0
174.96280	0.3
194.07335	0.3
233.04489	0.3
237.04117	0.4
273.18292	0.3
283.09445	0.3
297.06009	3.1
315.07202	1.2
315.12177	0.7
315.19604	0.6
330.15472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03941	2.2
55.01866	2.6
55.05504	4.3
55.61806	1.1
56.96563	6.1
60.12142	1.1
63.27795	1.1
65.03938	2.4
67.05499	9.2
69.03426	3.4
69.07067	8.9
70.33519	1.2
70.93079	3.0
70.93427	2.0
73.12992	1.3
77.87944	1.3
79.01849	2.4
79.05486	16.6
81.03409	2.4
81.07048	13.5
83.04984	3.8
83.08614	2.7
85.02917	1.5
85.06522	3.3
91.05482	10.6
93.07035	21.3
95.04958	3.5
95.08624	7.4
97.02879	3.4
97.06533	8.2
98.97592	4.5
105.07021	18.4
107.01343	1.3
107.04940	6.1
107.08586	24.1
109.02875	1.4
109.06507	4.2
109.10147	5.4
109.61419	1.4
111.04421	4.3
111.08060	2.8
116.98637	4.5
117.07005	3.9
119.04940	5.2
119.08574	37.2
121.06481	6.7
121.10137	22.4
123.08086	4.4
123.11692	2.0
125.02336	2.3
125.06012	3.3
127.03932	1.6
129.06987	2.7
131.08553	7.9
133.06465	3.0
133.10104	17.6
134.99655	5.6
135.08049	9.5
135.11697	9.4
137.09593	4.0
141.06900	1.5
142.07779	2.0
143.03366	2.5
143.08531	6.2
145.10121	12.5
147.08052	5.0
147.11664	8.2
149.09598	17.7
149.13293	6.3
151.07487	1.6
151.11166	1.9
153.00798	1.8
153.01823	38.4
153.09097	4.0
155.08536	2.3
156.09334	1.6
157.10101	7.9
159.08138	1.5
159.11717	6.2
161.09563	2.6
161.13252	2.2
162.10326	2.1
163.11171	29.3
165.09067	1.4
166.07726	1.2
167.08569	2.8
169.10109	3.6
171.02846	2.1
171.08070	3.0
171.11679	6.3
173.09601	1.8
173.13232	7.4
175.11212	3.5
177.12723	21.9
179.08536	1.9
180.09361	1.5
181.10104	5.0
181.12048	1.6
182.10942	1.6
183.11713	5.8
185.09691	2.3
185.13239	3.4
187.11229	2.0
187.14806	1.7
189.12701	7.2
191.14287	28.9
195.11748	8.6
197.13252	2.9
199.11264	4.8
199.14883	2.8
201.12741	2.3
203.14340	2.2
207.11693	1.8
209.13290	4.5
211.14755	2.1
213.12759	2.2
213.16411	1.4
217.12177	1.3
217.15938	1.5
221.13341	2.4
222.14255	1.7
223.11250	1.6
223.14743	1.9
225.16487	1.5
227.10698	1.9
227.14407	2.5
236.15518	2.0
237.16263	7.8
239.17989	1.7
241.12234	3.5
245.11688	1.9
251.17831	5.8
253.19576	2.3
255.14059	1.9
255.14574	2.2
255.17419	16.9
257.18842	1.9
269.18942	12.5
273.14594	1.6
279.17438	9.6
287.20084	3.9
297.18518	43.0
297.22015	4.9
298.19141	1.7
315.07697	3.7
315.19553	100.0
315.23053	7.8
316.19827	2.9
323.54327	1.2
333.08832	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38577	0.4
62.02909	0.4
69.03436	1.1
71.44307	0.4
71.51416	0.5
79.01847	4.4
81.03417	0.7
85.02892	1.4
85.30950	0.4
90.93764	0.4
97.02880	7.5
103.05361	0.4
105.19336	0.5
107.01291	1.8
109.02869	1.6
125.02340	2.9
127.03909	1.5
131.04906	2.3
134.95433	0.4
143.03398	7.4
147.04306	0.6
153.01814	100.0
153.02789	3.7
154.02182	1.4
159.04466	3.1
163.03928	1.3
171.02907	1.1
175.03879	1.3
177.05498	1.3
179.03398	1.0
179.07143	0.5
181.01227	0.6
187.03894	1.3
191.03325	1.6
193.04961	0.5
205.04965	5.7
207.02844	5.2
209.37193	0.5
215.03427	1.4
221.04454	2.4
233.04419	6.2
235.02411	1.1
237.03880	1.8
249.03896	1.0
258.10062	0.6
261.03925	1.5
279.05051	1.3
297.06021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02367	0.6
53.03930	0.8
55.01858	0.4
55.05487	0.8
55.92801	0.3
56.96552	0.3
57.03419	0.5
66.82470	0.3
67.05497	0.6
69.03420	3.9
69.07047	0.5
70.01178	0.2
71.04993	0.6
71.58620	0.3
71.59088	0.4
79.01842	5.6
79.05484	1.3
81.03403	6.0
81.07054	1.2
83.04945	0.3
85.02893	5.2
91.05471	1.3
93.07030	1.4
95.04929	0.3
95.08588	1.0
95.83574	0.2
97.02892	2.4
98.97506	0.3
99.00846	0.2
99.04462	0.6
105.07017	1.9
107.01315	2.4
107.08585	1.8
109.02872	4.4
109.06538	0.3
109.10144	1.4
111.04430	0.4
115.84874	0.3
117.07025	0.4
119.08550	1.1
121.10136	2.0
123.00796	0.3
123.08074	0.3
123.11681	0.4
125.02324	5.1
125.05952	0.3
125.09618	0.3
125.35854	0.2
127.03899	5.9
128.12383	0.2
131.04907	0.5
131.08575	0.4
133.10114	1.0
135.07993	0.3
135.11647	0.3
137.05962	0.5
137.09579	1.1
143.03387	8.5
143.08495	0.5
145.02826	0.3
145.10135	0.8
147.04446	0.3
147.08069	0.2
147.11678	0.5
149.09589	2.1
153.01808	100.0
153.02774	3.6
154.02168	0.9
157.10115	0.4
159.11710	0.6
160.65457	0.2
161.09621	0.3
161.13359	0.3
162.05490	2.0
163.07428	0.3
171.02856	5.1
171.11690	0.4
173.13167	0.3
177.05469	0.5
177.16708	0.2
179.10680	0.3
185.13287	0.4
187.11105	0.3
199.11461	0.4
217.12531	0.3
255.11382	0.4
279.23364	0.3
283.09680	0.5
288.65906	0.3
297.05948	2.5
297.18558	0.6
297.21906	0.3
315.07138	1.4
315.12296	0.6
315.19489	1.3
315.23163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0705
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02361	0.8
55.01830	0.5
58.65499	0.3
61.57584	0.3
61.64810	0.2
61.88386	0.3
65.12100	0.3
67.78647	0.2
69.03410	0.8
70.95369	0.8
79.01843	4.2
81.03409	0.6
85.02885	1.2
97.02882	6.6
99.04443	0.3
103.05426	0.4
107.01303	1.1
109.02860	1.0
122.58909	0.3
125.02322	3.6
127.03882	1.3
131.04926	1.3
143.03374	8.7
147.04350	0.3
152.70737	0.3
153.01808	100.0
153.02785	3.8
154.02132	0.9
159.04411	2.0
163.03914	0.9
165.01750	0.3
165.22954	0.3
171.02890	1.1
171.04259	0.3
175.03897	0.7
177.05484	0.7
179.03452	0.7
181.01318	0.5
187.03906	0.9
191.03372	1.0
193.04936	0.3
195.02818	0.4
197.00903	0.4
199.03775	0.3
205.04941	3.5
205.99727	0.3
207.02847	3.3
215.03375	1.0
217.04956	0.3
221.04451	1.8
233.04407	4.6
235.02319	0.7
237.03966	1.0
249.03897	0.9
249.47388	0.3
261.03973	1.1
269.07285	0.3
279.05008	0.8
285.06570	1.0
286.07300	0.6
297.06033	1.3
315.07538	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	315.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
69.03403	1.4
71.05833	0.6
73.18525	0.3
79.01839	4.7
81.03394	0.7
83.01324	0.3
85.02890	1.4
91.05463	0.4
97.02872	8.7
99.04411	0.6
103.05449	0.3
107.01296	1.0
109.02863	1.5
119.04926	0.4
123.00735	0.6
125.02318	3.9
127.03896	2.1
131.04932	1.7
143.03381	8.2
143.19604	0.3
147.04398	0.7
153.01805	100.0
153.02789	3.8
154.02159	1.0
159.04393	2.8
163.03877	1.2
165.01826	0.5
171.02869	1.1
175.03870	0.7
177.05464	1.2
179.03410	0.9
181.01308	0.8
183.02881	0.6
187.03899	0.8
191.03395	1.9
195.02911	0.4
203.03349	0.6
205.04924	5.6
207.02864	5.1
209.04466	0.4
215.03340	1.1
219.02852	0.3
221.04430	2.4
223.02269	0.3
231.24306	0.3
233.04431	5.9
235.02299	0.7
237.03893	1.0
249.03883	0.6
251.05510	0.3
261.03973	1.5
279.05002	1.2
297.06030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02362	0.6
51.38293	0.2
53.00301	0.3
53.03935	0.7
55.01857	0.5
56.96540	0.3
57.03426	0.6
69.03416	1.2
70.77513	0.7
71.04972	1.1
73.02903	0.3
79.01840	3.9
81.03419	2.0
82.40318	0.2
85.02898	1.5
97.02882	10.1
99.04446	4.1
107.01320	1.5
109.02873	3.0
122.07107	0.5
125.02348	4.0
127.03905	6.0
143.03377	7.1
145.04956	1.6
153.01811	100.0
154.02171	0.9
164.07068	0.4
171.02867	7.2
210.06879	0.4
221.04863	0.2
251.09566	0.6
315.07141	2.5
315.10724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
51.64553	0.5
53.47873	0.4
57.37757	0.4
69.03410	1.5
69.54662	3.7
79.01845	4.7
85.02874	1.2
97.02877	9.7
98.21475	1.1
99.04441	0.9
100.64365	0.6
107.01301	1.5
109.02852	1.9
123.00720	0.6
125.02317	4.5
127.03903	2.0
131.04900	2.4
135.04353	0.6
136.79155	0.6
143.02299	0.8
143.03386	9.9
147.04349	0.6
153.01811	100.0
153.02808	4.0
154.02124	0.7
159.04424	3.0
163.03908	1.4
171.02882	0.9
177.05440	1.3
179.03342	1.0
181.01259	0.8
187.03981	1.0
191.03389	2.3
193.05000	0.5
197.51041	0.5
205.04967	5.1
207.02856	4.8
219.02829	0.5
221.04439	2.6
233.04431	6.4
235.02287	0.6
236.75459	0.5
237.03838	1.0
249.03864	1.0
261.03989	1.0
279.05057	1.6
297.06033	1.4
307.50574	0.5
315.07068	0.5
325.71341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
53.85153	0.8
55.05308	0.7
55.05508	8.7
57.03434	21.4
57.07074	60.2
67.05166	1.1
67.05502	12.3
68.76387	0.7
69.07063	12.9
69.35429	2.3
69.35837	6.5
71.08629	41.5
75.04466	1.9
79.05494	1.0
81.07054	17.1
83.08618	14.2
85.10179	22.4
89.06032	3.8
92.70977	0.9
93.07049	1.1
95.08603	25.1
96.08966	0.8
96.71489	0.9
97.10171	7.3
103.07581	1.7
109.10146	12.5
111.11718	1.5
117.09085	0.9
121.10175	1.1
123.11672	4.4
137.13226	2.2
151.14885	0.8
209.99841	0.9
221.22575	0.9
239.23703	5.0
257.24786	6.2
275.25806	0.8
298.27432	0.9
312.68158	0.8
313.27350	100.0
314.27661	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49921	0.7
55.05513	7.4
57.03437	19.8
57.07072	62.5
57.68107	0.8
58.86184	0.7
67.05161	1.2
67.05499	12.6
69.07066	11.1
69.45717	5.9
71.08627	37.1
79.05489	1.0
81.07049	14.5
83.04961	1.3
83.08618	11.6
83.35322	0.7
85.10180	21.1
89.06020	3.3
93.07047	0.8
95.08601	24.3
97.06502	1.2
97.10161	6.6
99.11722	1.3
103.07568	2.7
108.21684	0.7
109.10148	11.6
111.11691	1.6
117.09107	1.1
121.10127	0.9
123.11709	4.7
127.93386	0.7
137.13232	1.7
165.16463	0.8
183.91699	0.8
221.22537	1.0
239.23596	4.9
257.24753	6.7
275.25726	0.8
298.27267	1.4
313.27347	100.0
314.27640	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	314.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45815	1.1
54.93821	5.3
69.96171	28.4
70.57267	4.2
72.08155	2.7
72.24288	1.0
72.52607	1.1
87.97193	3.0
119.01896	5.3
121.50946	1.1
130.21425	1.2
131.96114	6.3
134.99690	1.3
137.02974	2.6
137.24936	1.2
138.49300	1.2
149.97182	24.2
167.98273	2.9
171.06190	1.8
171.09799	5.6
173.05989	1.5
173.09563	4.5
177.00928	17.0
178.01047	6.2
179.00735	6.4
189.07219	3.2
189.10869	1.8
190.94911	5.5
191.07013	3.8
191.10568	2.7
197.07567	1.4
207.96280	11.5
208.95950	18.8
218.03592	1.8
219.01979	31.6
220.02054	12.9
221.01715	11.3
224.77589	1.2
231.96245	4.7
232.95947	11.1
233.03558	2.1
234.03088	2.9
243.03722	1.8
245.01910	1.6
249.82162	1.1
249.97379	29.2
250.92723	1.3
250.97003	14.5
252.96936	1.5
255.96350	4.1
257.04504	1.5
258.99841	1.6
260.04630	2.1
261.02884	12.8
262.03912	1.3
263.02728	16.5
265.02853	1.6
266.95032	8.9
267.95023	1.6
272.98886	1.5
273.04120	4.7
273.97226	34.0
274.97083	3.0
280.93085	1.4
288.60394	1.2
290.95044	6.8
290.99506	1.3
291.04465	2.6
291.98318	100.0
292.98419	3.5
301.00983	3.5
308.96210	3.6
314.95120	15.0
314.99506	6.9
315.95129	2.2
332.96194	18.4
333.08279	1.6
333.96152	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	313.1794
Annotation	Yakuchinone A
Peak:m/z	Relative Intensity
50.50514	0.8
53.03938	5.3
55.01849	2.1
55.05486	2.8
56.96556	3.0
57.07072	10.8
67.05486	4.3
67.82085	0.9
69.03408	2.9
69.07059	4.9
69.86223	5.3
78.31434	0.9
79.05473	4.6
81.03404	40.4
81.07037	6.8
83.04957	3.1
83.08591	1.2
91.05482	8.3
93.07034	4.6
94.58989	1.0
95.01310	2.8
95.04953	5.6
95.08583	8.5
95.30652	0.8
97.06507	2.8
97.33513	0.8
98.97549	2.6
98.98191	0.9
101.83705	1.0
103.05456	1.2
105.07005	13.9
107.04889	1.4
107.08562	5.2
109.02868	32.9
109.06498	2.0
109.10141	3.7
109.69213	0.8
111.08028	1.0
115.05415	2.2
116.06252	1.6
116.98586	4.2
117.06979	4.4
119.04911	3.9
119.08562	17.1
121.06477	3.4
121.10139	7.2
123.04399	3.8
123.08035	3.6
123.11740	1.2
127.03935	1.5
128.06212	1.7
129.06966	3.3
131.08524	11.5
133.06477	22.0
133.07466	0.8
133.10104	8.5
134.99634	3.8
135.08009	5.4
135.11714	1.0
137.05969	2.1
137.09622	1.9
142.07756	1.1
143.08537	3.9
145.06422	1.3
145.09099	1.0
145.10097	25.1
146.97475	1.2
147.08028	6.7
147.11639	7.7
149.09587	4.3
151.07495	1.0
153.00682	1.5
155.08530	1.6
157.06560	1.0
157.10083	3.3
159.08067	1.4
159.11653	3.9
160.05173	1.1
160.08707	1.1
161.05940	2.5
161.09593	4.1
161.13251	3.9
163.07465	1.3
163.11145	2.0
170.10948	2.5
171.11662	3.8
172.12349	0.9
173.09624	2.3
175.07516	100.0
175.10934	2.7
175.14801	5.5
176.07854	2.6
177.08997	1.1
183.08070	1.0
183.11641	1.2
185.13242	5.4
187.11192	2.0
187.14796	28.0
188.12082	1.2
188.15154	1.0
189.12749	10.4
195.11577	1.2
199.14771	1.0
202.09531	0.9
203.14291	23.6
205.15848	9.2
211.11229	1.1
213.12692	7.1
225.09134	1.3
231.13770	23.6
237.02730	1.0
249.14853	4.0
253.08496	1.5
271.12372	1.2
276.78061	1.3
289.63000	0.9
290.94690	3.7
295.16904	5.0
313.17914	27.0
313.21259	1.7
313.25192	3.1
318.47607	1.1
321.04700	1.2
331.15765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05500	13.0
56.96549	21.6
57.03439	9.4
57.07060	24.0
61.77227	6.6
67.05473	18.4
69.07056	20.5
69.93056	41.9
79.05467	15.8
81.03416	17.6
81.07030	27.4
83.04957	6.8
83.08596	9.8
85.10182	10.5
91.05475	22.8
93.07029	26.5
95.04974	12.7
95.08584	23.1
97.10162	7.4
98.20862	7.9
98.97552	42.1
101.19044	7.9
104.22234	7.5
105.07009	20.6
107.08598	16.3
109.10151	32.7
112.22646	7.5
116.98606	55.1
119.08587	10.1
123.11599	9.0
133.10152	14.5
134.99643	94.5
135.11682	10.8
145.10101	12.2
146.97403	15.1
153.00685	20.5
155.39226	7.2
158.01270	10.4
159.11710	12.2
165.12738	20.3
277.21634	33.9
289.95050	11.3
290.94653	59.9
295.22693	100.0
307.96262	10.3
308.95880	16.9
313.21677	13.8
313.96283	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	313.1431
Annotation	Stemofuran H
Peak:m/z	Relative Intensity
50.11303	0.5
55.01853	0.6
55.05496	1.4
65.03922	2.1
67.05466	0.8
69.03397	0.5
69.07035	0.5
71.60292	0.8
79.05485	2.2
81.07037	1.6
83.04991	1.1
83.08598	0.9
91.05478	38.8
93.07044	0.8
94.04200	2.6
95.04964	7.7
95.08619	0.7
100.11227	1.7
103.05454	2.2
105.07030	1.5
105.61205	0.5
107.04986	3.1
109.06499	2.3
111.04435	1.3
115.05449	1.6
117.07036	1.3
119.04937	23.6
119.08584	0.7
121.06508	1.2
122.03653	5.3
123.04446	0.5
123.08092	0.9
128.06218	9.2
128.07112	1.0
129.07001	23.8
131.04933	2.9
131.08566	1.0
133.06462	2.2
135.08049	1.5
136.05196	5.1
137.05971	71.5
141.06985	0.8
141.11528	0.6
143.04881	1.0
144.13852	0.7
145.06488	3.4
146.07236	0.8
147.08034	1.0
149.06010	1.1
151.07536	100.0
152.07889	1.6
155.07060	1.5
156.05690	1.8
157.06482	14.8
158.07242	1.0
159.04384	0.7
161.05980	2.2
161.09589	1.8
163.07562	3.0
165.06987	2.3
167.08495	0.6
174.06764	13.8
175.07530	6.6
176.08380	0.6
177.09134	1.7
177.12555	1.4
178.07745	4.8
179.08766	0.7
181.06448	1.2
182.15315	1.0
187.07570	0.6
189.09100	60.6
190.09467	0.5
191.08585	0.9
191.12347	0.6
192.09377	1.1
193.06497	0.9
193.10120	6.3
195.08104	0.6
197.06081	1.0
202.06134	0.6
202.07819	2.2
203.08580	3.0
205.06493	0.6
205.10176	0.6
206.07291	1.7
207.07899	0.7
209.06001	1.1
210.06717	1.6
210.10464	0.7
210.14919	0.6
211.07652	0.8
212.08307	0.9
219.08017	1.0
220.08800	1.7
221.06116	0.7
221.09604	11.4
222.10338	0.6
223.07440	0.8
224.08250	0.7
225.09158	1.4
231.08055	1.5
234.06764	1.1
235.07468	0.5
235.11166	0.7
238.06297	0.6
238.09920	1.2
239.07002	0.6
239.10594	0.8
240.67609	0.7
241.08725	0.7
248.08215	0.8
249.09140	8.2
250.09991	0.7
251.06992	0.7
253.08624	1.2
253.09132	1.0
253.12225	11.7
263.10724	0.7
266.09360	1.4
269.08023	2.7
271.20203	1.1
272.10437	1.3
281.08676	0.4
281.11697	9.2
282.12506	1.1
284.10455	1.9
295.13269	0.6
298.11877	1.3
313.14349	35.7
313.17865	1.7
314.14764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18715	0.4
53.03930	1.2
55.01869	0.6
56.96549	1.5
57.07066	0.8
65.03929	2.6
67.05502	1.8
69.07053	0.5
69.61986	3.1
71.08615	0.7
73.16064	0.5
79.05491	1.6
81.03403	0.6
81.07037	1.2
91.05476	20.0
93.07047	8.1
95.04974	2.9
98.97567	2.4
103.05482	2.3
105.07002	2.3
107.05000	0.4
107.08567	0.8
109.06519	9.8
109.10152	0.6
111.08079	0.5
116.98617	2.9
119.06078	2.7
119.08594	0.6
121.06508	1.1
123.08044	2.3
133.06491	12.1
133.07465	0.8
133.10164	0.6
134.99669	4.1
139.07547	1.6
143.08620	0.6
145.10162	0.5
149.05978	100.0
150.06308	1.4
153.00699	1.1
155.08601	0.6
159.35014	0.5
160.98434	0.5
163.58691	0.5
231.10799	0.6
242.50166	0.5
253.12866	0.8
272.93811	0.6
290.94724	3.6
303.74683	0.5
307.96362	0.6
308.95782	1.0
313.14316	0.8
313.21548	1.0
313.27454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.09483	1.4
55.01872	1.8
57.03422	6.0
61.02929	9.8
66.35422	1.2
69.03422	17.0
69.07056	13.0
70.65287	4.9
71.04989	2.6
73.02896	3.6
81.03413	8.6
85.02897	100.0
87.08112	11.8
89.23831	1.4
91.03959	6.3
91.05444	1.3
97.02280	1.8
97.02882	24.3
99.04437	4.5
109.02846	7.0
127.03905	23.0
133.08563	3.6
145.04951	42.4
163.06026	9.8
172.95728	1.3
179.06061	1.3
182.41499	1.4
275.07709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03926	1.1
55.01866	0.9
57.25619	0.5
65.03927	2.1
68.07896	0.5
68.27334	0.5
69.41985	3.6
69.42397	1.2
79.05473	1.9
81.07024	0.9
86.53142	0.5
91.05469	42.5
94.04159	2.0
95.04952	7.8
102.22406	0.5
103.05467	1.7
105.07001	1.5
107.04961	3.1
108.87894	0.5
109.06513	2.1
115.05437	2.2
117.06989	1.6
119.04928	24.9
119.08526	0.8
121.02846	1.7
121.06475	0.8
122.03628	6.9
123.04401	0.7
123.08042	1.1
128.06197	10.7
128.07115	0.7
129.06984	24.1
131.04898	2.8
131.08572	1.3
133.06459	1.6
135.08058	0.8
136.05171	5.6
137.05959	69.2
138.06323	0.8
143.04938	0.9
145.06465	3.6
146.07251	1.4
147.08011	1.0
149.02371	0.7
149.05948	0.7
151.07521	100.0
152.07819	1.3
155.05974	1.1
156.05670	2.1
157.06462	13.6
158.07202	1.0
159.08112	0.7
160.05112	0.9
161.05949	2.3
161.07230	0.6
161.09625	1.5
163.07559	2.4
165.06973	2.2
167.03407	2.8
173.05989	1.0
174.06747	12.8
174.08171	1.0
175.07492	7.4
177.09056	1.1
178.07738	4.6
179.08499	0.7
181.06395	0.6
189.09079	60.6
190.09489	0.8
191.08281	0.6
192.09294	0.8
193.06517	1.0
193.10083	7.2
195.02884	1.6
195.08081	0.7
197.06096	0.6
202.07796	1.6
203.08531	3.0
203.10265	0.7
206.07259	1.4
207.08002	0.9
210.06754	1.1
210.10396	0.5
211.07501	1.4
219.08034	1.0
220.08832	0.8
221.05937	0.6
221.09587	10.5
222.10204	0.7
223.07503	1.3
225.09061	1.5
231.08022	1.2
234.06790	1.4
237.09123	0.8
238.06071	0.9
238.09917	1.2
239.06953	1.1
240.07765	0.7
241.08585	1.2
244.45131	0.5
249.09096	7.0
250.09729	0.8
253.08516	1.1
253.12187	11.6
255.06400	0.8
256.07190	1.0
263.10568	1.3
265.08456	0.7
267.06537	3.2
267.10208	0.7
269.07983	2.7
270.05203	1.1
272.10446	0.7
281.11722	7.4
283.05969	3.6
284.06747	4.9
284.10379	1.7
285.11328	0.7
295.05981	3.0
298.12146	0.6
313.07013	31.0
313.14288	29.8
314.07397	1.4
314.14621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01835	0.6
62.30836	0.4
62.50401	0.4
64.89098	0.4
65.03916	1.9
69.39940	4.2
72.08154	2.3
79.05482	1.8
81.07035	2.1
91.05471	36.9
93.07014	0.7
94.04189	2.5
95.04950	7.1
103.05459	1.8
105.07004	1.3
107.04955	2.7
108.05742	0.7
109.06509	2.9
115.05437	2.0
117.07025	1.1
119.04934	24.7
119.08578	0.5
120.08130	0.6
121.06490	1.1
122.03637	6.4
123.08070	0.7
128.06206	8.5
129.06993	22.7
131.04906	2.8
131.08568	1.2
132.05753	0.6
133.06468	1.9
134.09663	1.6
135.07988	0.6
136.05199	4.9
137.05963	65.6
138.06334	0.5
143.04889	0.8
145.06511	3.2
146.07245	1.4
147.08063	1.4
149.05933	0.8
151.03905	1.3
151.07524	100.0
152.06180	0.5
152.07846	1.1
155.05972	0.9
156.05681	1.6
157.06479	14.5
158.07240	0.7
159.04533	0.6
160.05147	1.1
161.05937	2.1
161.09593	1.7
163.03914	0.7
163.07527	2.4
164.39513	0.5
165.06985	1.9
169.06508	0.6
173.05942	0.7
174.06749	11.8
175.07544	7.0
177.09035	0.7
178.07753	3.4
179.08583	0.4
181.06462	1.4
187.07530	0.7
189.09087	55.0
190.09456	0.9
191.08623	0.5
192.09344	1.1
193.06462	1.2
193.10132	5.3
195.08018	0.5
197.05940	1.0
202.07794	1.6
203.08478	1.8
206.07224	1.4
207.08092	0.8
209.05899	0.8
210.06715	1.7
210.10364	0.7
211.07434	0.5
219.08015	1.1
220.08752	1.6
221.06104	0.7
221.09592	9.6
222.10341	0.5
223.07468	0.8
224.08452	0.6
225.09100	1.5
231.07971	1.3
231.21841	0.5
234.06628	0.7
235.07451	0.5
237.05399	0.5
237.08983	0.9
238.09900	1.1
239.06981	0.5
239.10600	0.9
240.07765	0.5
241.08661	0.7
249.09071	7.5
250.09746	0.6
253.08424	0.8
253.12207	11.5
261.48999	0.5
262.18039	2.6
263.10611	1.3
266.09299	1.0
269.08026	3.7
272.10468	1.0
279.20673	0.5
281.08752	0.7
281.11716	6.8
284.10443	1.8
285.11203	0.7
295.13245	0.7
296.16727	0.8
313.07080	1.0
313.14294	30.7
314.14584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.01856	2.1
55.05503	54.8
57.03430	21.6
57.07068	26.9
67.05496	9.2
69.07057	61.7
69.94251	4.3
70.07368	0.9
71.04984	1.0
71.08625	16.9
71.09524	0.7
73.02907	1.5
79.05487	5.8
81.07041	12.3
83.04951	2.1
83.08606	52.2
84.08939	0.8
85.10168	5.6
91.05463	2.3
93.07043	5.2
95.08598	8.6
97.06534	5.7
97.10155	36.1
98.10481	0.8
107.08580	5.8
109.10136	3.6
111.04453	0.8
111.08045	2.4
111.11705	11.3
113.09566	0.8
115.11230	0.8
121.10118	7.4
123.11658	1.6
125.09628	2.4
125.13245	2.6
129.05466	1.1
135.11673	6.4
136.12027	0.8
139.11156	1.8
139.14838	0.8
139.80344	0.8
149.13202	2.9
150.82141	0.9
153.12735	1.1
163.14772	1.0
203.54987	0.7
203.74297	0.8
209.11717	1.5
219.21048	2.0
237.21965	1.0
311.25751	100.0
312.26065	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01854	2.9
55.05506	60.4
57.03432	27.0
57.07070	25.2
64.72662	0.9
67.05500	9.1
69.07060	64.4
69.55553	7.7
70.66445	1.0
71.08621	15.3
73.02900	1.3
79.05489	5.4
81.07044	11.2
83.04948	1.5
83.08609	52.2
84.37077	1.0
85.10162	6.6
91.05485	1.2
93.07030	6.5
95.08610	7.5
97.06505	6.5
97.10160	38.0
98.07406	0.9
107.08569	3.6
109.10141	3.0
111.08068	2.4
111.11713	8.9
116.66440	1.0
121.10137	6.8
123.11674	1.5
125.09656	2.1
125.13242	1.7
135.11652	4.8
137.13268	1.6
149.13190	2.4
163.14803	1.3
190.00215	1.1
219.21109	1.9
311.25769	100.0
312.26154	3.6
316.07095	1.2
328.37006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	2E-Phytenic acid
Peak:m/z	Relative Intensity
50.38017	1.3
53.03944	1.8
55.05503	32.4
56.96555	3.6
57.03432	2.0
57.07069	20.7
59.04986	3.9
59.93624	1.4
67.05497	29.1
69.03407	5.1
69.07060	100.0
69.90661	8.9
70.04097	2.0
71.04985	2.9
71.08609	6.5
73.06538	4.0
79.05477	14.4
81.03415	2.5
81.07046	89.5
83.04980	5.1
83.08134	2.6
83.08611	39.7
85.06523	18.8
85.10190	1.7
91.05486	4.1
93.07030	29.6
95.04933	2.7
95.08597	78.9
95.98058	1.6
97.06528	10.9
97.10156	16.2
98.20818	2.9
98.97578	2.4
99.08076	12.3
100.07639	2.1
105.07021	6.5
107.04932	2.4
107.08576	26.0
109.06535	1.9
109.10143	45.4
111.08056	10.6
111.11695	19.7
113.09658	2.4
116.98620	3.3
119.08569	4.5
121.06460	2.1
121.10130	10.9
123.11700	22.3
125.09620	2.0
125.13246	6.1
131.08492	2.2
133.10130	2.0
135.11679	15.3
137.13257	9.4
143.96341	1.7
145.10091	3.9
147.11713	2.3
149.13249	24.1
151.14806	13.4
153.12747	10.8
157.10071	2.3
163.14833	4.7
165.16382	3.9
166.80138	2.0
167.08495	2.1
167.14326	7.0
173.13145	1.9
175.44417	1.8
177.16315	2.0
179.17943	2.2
183.11646	1.6
184.16953	4.2
191.17899	3.0
193.19478	2.5
205.19426	2.3
266.21033	8.3
275.27393	3.7
293.28348	6.6
294.20584	18.2
311.12848	3.2
311.20361	2.5
311.29395	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01854	12.0
55.05508	48.9
56.96566	6.9
57.07075	13.6
62.03078	6.2
65.56520	6.3
67.05505	45.9
68.05829	7.0
69.03404	7.2
69.06722	6.4
69.07056	32.5
70.04068	8.8
70.27024	25.7
71.04966	8.4
79.05492	31.3
81.07050	100.0
82.07369	9.8
83.04993	11.6
83.08610	32.1
85.02895	9.2
91.05501	34.9
92.00864	6.4
93.07045	43.8
95.04952	8.8
95.08601	65.2
97.06546	9.9
97.10157	29.4
104.17979	5.9
105.07005	33.4
107.04958	12.6
107.08569	40.3
109.10165	41.6
111.04466	7.3
111.08073	13.9
116.98577	7.2
117.06976	7.8
119.08588	20.0
121.06485	7.3
121.10130	22.8
123.08140	8.8
123.11726	8.8
125.09597	33.5
131.08522	15.9
133.10114	27.4
135.08072	7.0
135.11707	15.4
137.13277	12.7
139.11162	9.9
145.10117	13.7
147.11681	8.3
153.12753	10.2
179.28140	6.9
189.11176	19.2
190.70387	6.6
235.61940	6.7
267.21432	47.3
269.13715	7.3
275.20163	38.8
289.07245	8.5
293.21121	15.0
311.20160	18.0
311.23935	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.50052	2.4
53.03936	2.9
55.01872	12.2
55.05505	79.8
56.96560	2.7
57.03432	4.1
57.07063	6.8
59.04985	2.2
63.70329	2.3
67.05496	39.6
68.70554	2.1
69.03413	8.5
69.07058	23.5
70.04082	3.0
70.04858	11.4
71.04981	6.9
71.08621	21.7
78.93119	2.4
79.05482	38.3
81.03405	25.7
81.07050	43.4
83.04965	19.2
83.08132	3.5
83.08606	51.1
85.02912	2.2
85.06551	2.4
91.05465	21.8
93.07034	28.4
95.04954	40.8
95.08592	22.1
97.02886	4.5
97.06506	7.2
97.10156	37.6
99.08074	22.0
105.07010	16.2
107.04938	8.5
107.08589	27.3
109.06503	5.7
109.10129	14.2
111.04435	14.8
111.08070	8.4
116.98615	4.4
117.07005	7.6
119.08559	14.7
119.92624	2.0
121.06486	4.1
121.10150	12.1
123.08037	4.2
123.11700	3.3
125.09608	26.4
129.06995	3.1
131.08559	9.3
133.10118	9.1
134.99663	3.3
135.08066	3.9
135.11688	12.8
137.09608	3.8
137.13162	2.4
139.11174	3.7
143.08582	2.8
145.10037	12.3
147.07993	3.2
147.11687	7.4
147.40445	2.2
149.09613	11.7
149.13239	3.5
153.09070	5.1
153.12729	4.1
155.08589	2.0
156.71060	1.9
157.10065	3.3
159.11699	7.1
163.11157	51.9
165.12735	5.2
167.10657	5.0
169.10222	3.3
173.13251	3.1
175.11159	5.8
177.12703	6.2
181.12212	3.4
185.11729	3.6
189.11182	16.7
193.12202	15.9
195.13750	20.8
211.13290	10.2
223.13277	9.4
247.20535	7.6
249.22281	2.8
257.18912	6.2
265.21744	1.9
275.20035	25.9
293.17755	4.9
293.21075	100.0
294.21280	5.0
311.05527	2.4
311.22165	4.8
329.89432	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.24461	0.7
53.03938	1.0
53.57528	0.9
55.01859	1.7
55.05507	55.2
56.05818	0.8
57.03432	21.9
57.07072	27.4
57.49246	0.9
67.05498	10.3
69.07063	58.7
69.92037	3.9
70.16316	0.8
71.08626	15.1
73.02906	1.8
73.06509	0.8
79.05479	5.1
81.07051	13.1
83.04975	1.9
83.08612	52.4
84.08949	1.4
85.10178	7.0
87.60287	0.7
88.69544	0.7
91.05451	1.2
93.07037	7.2
95.08607	9.6
97.06521	6.3
97.10164	38.9
98.10490	1.0
105.40970	0.7
107.08600	5.9
107.35345	0.8
109.10117	3.6
111.08044	2.5
111.11700	11.0
121.10140	7.1
123.11702	1.3
125.09594	1.1
125.13248	2.3
135.11646	4.2
135.43474	0.8
137.13239	1.3
139.11177	1.8
142.88474	0.8
149.13220	2.5
163.14760	1.8
166.73088	0.7
186.82565	0.8
209.11722	1.8
219.21100	1.9
219.38770	0.8
237.11263	1.3
266.36902	0.8
311.25778	100.0
312.26025	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.48672	7.3
55.01856	11.3
55.05504	52.8
57.03438	11.4
57.07069	47.0
61.47046	8.4
67.05499	78.2
69.07051	34.5
70.04060	9.8
71.59168	11.9
71.59550	8.8
75.18414	7.6
76.64684	7.3
79.05481	45.5
81.07040	79.5
83.04974	33.5
83.08604	25.9
91.05475	37.9
93.07030	80.8
95.04961	41.2
95.08606	62.2
97.06515	10.1
97.10169	13.7
99.04459	7.6
105.07019	40.8
107.04923	8.1
107.08573	64.7
109.06507	15.8
109.10158	52.3
111.04403	39.9
111.08054	16.0
117.07001	12.9
119.08556	33.1
121.10140	46.5
123.11674	10.9
125.06019	9.0
125.09637	13.5
131.08572	28.8
133.10075	26.0
135.11693	27.1
137.09602	9.4
143.08629	7.6
145.10117	28.7
147.11641	13.3
149.09579	27.0
153.05440	17.6
159.11720	11.9
160.19664	9.2
163.11104	23.4
173.13177	13.2
174.86838	6.9
181.04962	8.1
191.10681	18.3
193.04939	9.0
196.49867	7.3
201.16380	21.8
209.11713	100.0
219.17480	29.4
223.13341	25.2
237.11177	79.8
255.12323	13.6
275.19977	66.4
293.21039	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01873	3.6
55.05505	11.8
56.13015	2.1
57.07077	4.3
67.05499	21.4
69.07072	19.5
69.84688	7.5
69.85111	7.2
79.05494	10.7
81.07051	23.7
83.04990	5.1
83.08615	8.3
91.05465	12.8
93.07024	15.5
95.04961	6.4
95.08607	15.1
97.06524	3.4
97.10171	6.6
98.20837	3.0
105.07026	18.0
107.04967	5.1
107.08589	10.3
109.06536	6.7
109.10181	5.5
111.04442	3.6
117.07020	7.1
119.08583	10.4
121.06481	5.5
121.10130	7.8
131.08568	9.2
133.06425	3.4
133.10133	13.0
135.08037	3.1
135.11674	5.3
143.08571	2.9
145.10149	6.6
147.11719	8.1
149.09676	3.9
149.13254	3.5
151.11194	3.5
159.11731	4.8
162.25575	2.2
163.11177	4.8
173.13284	4.6
207.13904	3.5
209.11696	5.8
237.11273	4.6
247.20697	3.1
257.19058	8.6
275.20059	100.0
293.21082	26.4
311.25787	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.40448	2.9
53.03934	3.5
55.01867	15.3
55.05499	28.8
56.96557	3.3
57.02600	2.9
57.03446	4.7
57.07069	30.1
61.79063	2.7
65.03928	3.2
67.05499	73.9
68.32459	2.7
69.03426	3.3
69.07060	61.5
70.04075	41.4
71.04407	6.6
71.04980	7.2
71.08606	3.6
71.17212	3.7
71.17525	5.0
79.05482	41.7
79.05907	4.4
81.03398	10.0
81.07049	100.0
83.04969	11.3
83.08609	18.0
84.04596	2.6
85.02940	2.7
85.06544	4.4
91.05469	37.6
93.07031	38.8
95.04959	29.9
95.08601	61.8
97.06531	10.7
97.10159	6.8
105.07026	44.2
107.04962	12.7
107.08576	25.4
109.06517	13.0
109.10139	27.3
111.04418	13.3
111.08099	6.5
116.98609	4.8
117.07027	11.4
119.08548	28.0
121.06519	8.3
121.10133	21.8
123.08080	18.2
123.11678	19.8
125.06009	4.4
125.09610	3.2
129.07082	2.7
131.08556	16.0
133.10167	13.4
135.08072	11.3
135.11668	10.6
137.09621	9.7
143.08530	3.8
145.10124	11.4
147.11668	27.7
149.02345	3.1
149.09616	7.3
149.13252	7.9
151.03862	3.3
153.05470	10.4
157.10091	3.3
159.11749	8.1
163.11166	8.0
165.12767	9.3
169.10017	3.4
173.13252	6.0
175.11266	3.4
177.12761	4.6
181.12292	5.9
187.11201	3.9
191.10689	8.2
193.04970	3.7
195.13774	3.5
199.06126	5.5
207.13873	3.3
209.11742	56.7
219.13853	3.3
221.15295	4.4
223.13284	4.3
237.11180	43.1
237.14844	9.0
247.20607	5.3
255.12169	14.6
257.18994	4.4
265.18027	11.7
265.21643	4.7
275.20013	64.4
275.22760	4.9
293.17795	4.9
293.21051	51.9
311.15265	14.9
311.18674	6.3
311.21808	13.1
311.27518	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01878	10.1
55.05512	35.6
56.96566	30.3
57.03411	5.2
57.07071	35.2
60.35192	3.7
63.38346	4.3
67.05501	51.1
69.03436	4.0
69.07056	22.8
70.19930	3.6
71.05022	3.7
71.08604	5.6
71.59246	6.3
79.05489	35.7
81.03407	5.1
81.07049	53.0
83.04974	13.4
83.08610	29.2
91.05469	24.6
93.07034	31.8
95.04955	19.2
95.08589	33.9
97.06529	9.3
97.10162	15.2
97.99197	4.7
105.07024	21.4
107.04939	8.8
107.08588	25.1
109.02902	7.1
109.06563	5.2
109.10162	25.3
111.04399	22.6
111.08080	6.6
116.00187	6.6
117.07101	4.6
119.08596	22.0
121.06504	4.0
121.10111	22.4
123.08080	7.7
125.05952	9.5
125.09617	13.8
131.08551	11.8
133.10121	15.8
135.11668	12.2
137.09621	9.6
139.11156	5.0
143.08617	5.5
145.10077	12.7
147.11674	9.9
149.02332	8.8
149.09579	10.0
149.13246	7.9
153.05447	17.3
155.08525	6.1
157.10106	6.1
159.11584	9.1
163.11131	12.3
165.12762	14.6
173.11745	5.5
175.11171	6.2
181.10631	6.0
181.12228	16.7
185.13293	7.2
185.95331	4.7
189.11198	6.4
191.09087	3.8
191.10577	19.4
191.14259	4.9
193.04962	18.8
196.62521	4.6
208.39041	4.6
209.11711	100.0
210.12122	4.1
213.24234	4.3
218.57330	3.9
223.13222	8.3
229.13512	7.2
237.11183	86.9
237.13458	7.1
255.12350	20.0
259.20505	5.7
275.20059	35.4
293.21185	18.3
311.20493	10.6
311.24002	23.5
311.74573	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00307	3.5
51.50413	3.6
55.01860	8.1
55.05496	16.2
56.96574	5.3
57.07077	33.1
67.05487	17.2
68.22311	3.6
69.07058	14.2
70.04079	5.4
70.06576	4.0
71.08627	4.8
77.21423	3.8
79.05494	10.8
81.07049	24.5
81.85431	4.2
83.04974	12.9
83.08582	8.0
91.05466	10.1
93.07024	17.3
94.69378	3.6
95.08611	20.8
97.06451	4.4
97.10149	6.9
105.07007	10.9
107.04974	6.8
107.08604	20.6
109.02858	5.6
109.06504	4.9
109.10146	9.2
109.89723	3.6
111.04445	23.7
116.98588	4.4
119.08565	11.3
121.10116	9.3
123.11735	5.3
125.06001	8.2
125.09632	4.6
133.10115	8.7
135.11662	9.0
145.10159	5.6
147.11685	6.3
149.02293	7.7
149.09613	5.1
153.05475	19.1
153.12758	5.5
163.11136	8.7
164.33566	3.7
181.12212	9.1
191.10638	15.1
193.04971	7.8
209.11731	100.0
223.13286	5.5
237.11171	84.6
255.12299	15.5
275.20020	21.1
293.17587	6.7
293.21085	13.3
305.47766	4.7
311.24457	18.3
311.74664	4.9
312.11316	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	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03930	4.3
55.01862	17.9
55.05501	68.6
57.03425	5.2
57.07056	4.0
59.04977	1.0
65.03927	3.5
67.05495	40.7
69.03421	5.4
69.07058	24.5
71.04984	9.6
71.08600	1.0
71.20522	1.8
71.54218	1.0
79.05480	44.4
81.03400	7.7
81.06570	2.2
81.07040	41.0
83.04962	38.5
83.08605	44.5
85.02889	10.4
85.06515	4.7
91.05461	22.4
93.03386	1.4
93.07027	42.3
95.04953	84.2
95.08591	22.4
96.55943	1.0
97.06511	9.8
97.10150	29.0
99.04428	10.7
99.08055	2.8
105.07014	28.0
107.04945	11.8
107.08575	55.1
109.06503	9.5
109.10127	15.0
111.04422	55.1
111.08055	16.1
115.05495	1.0
117.06992	11.2
119.07698	1.3
119.08559	20.7
121.06470	8.1
121.10122	26.0
123.08056	5.7
123.11685	2.4
125.05978	3.0
125.09610	32.3
129.05479	2.7
129.06940	4.9
131.08533	20.1
131.97534	0.9
133.06523	1.8
133.10106	14.9
135.08055	11.7
135.11670	17.1
137.09575	2.1
139.11151	4.6
141.06967	2.0
141.09056	2.0
143.08521	3.3
143.10492	1.1
145.06450	1.6
145.10112	27.3
147.08061	5.5
147.11659	11.4
149.05952	1.2
149.09595	51.1
149.13243	1.5
150.33472	0.9
151.11212	1.7
153.05482	1.7
153.09084	3.5
153.12704	9.1
155.08545	2.1
157.10121	3.9
159.08037	1.2
159.11682	8.8
161.09587	2.3
161.13226	3.3
163.11148	40.0
165.12767	1.8
167.10643	1.5
169.10106	1.8
171.10159	2.9
171.11630	2.9
173.09602	2.3
173.13254	2.8
175.11046	2.5
177.12720	3.7
181.12187	13.0
183.11650	1.9
185.13245	1.3
187.11153	4.2
187.14827	1.4
189.11183	29.9
191.10614	8.7
193.12178	2.9
197.13194	1.0
201.12810	1.2
205.12137	6.4
207.13783	1.7
209.11711	9.6
211.13260	3.4
217.15802	1.0
223.13248	98.5
224.13638	1.5
227.12733	4.1
229.19450	4.3
229.98099	1.0
237.11121	6.3
237.14859	3.5
239.17917	3.6
247.20505	2.9
257.19019	11.4
266.06879	1.2
275.20016	100.0
276.20325	1.7
293.21060	92.8
294.21445	2.3
311.22092	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	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03929	2.7
55.01853	4.6
55.05505	28.2
56.96540	1.3
57.03423	2.4
57.07068	13.1
59.04977	3.2
67.05123	1.3
67.05495	36.7
69.03416	2.8
69.07060	57.3
70.04062	3.6
70.79139	1.8
70.79460	1.9
71.04990	5.9
71.08627	6.2
73.06535	4.3
79.05483	15.2
81.07049	80.8
83.04964	2.8
83.08611	26.5
85.06516	8.9
85.10167	3.3
87.60831	1.2
91.05463	9.0
93.06466	2.1
93.07037	34.5
95.04957	5.8
95.08596	100.0
96.08934	2.3
97.06517	8.3
97.10162	10.9
99.08073	3.6
105.07021	9.8
107.08587	30.5
109.06504	3.5
109.09455	2.1
109.10147	28.1
111.08070	29.0
111.11694	7.7
112.08377	1.2
115.07539	1.2
119.08556	9.0
121.10114	19.0
123.08053	2.9
123.10799	2.3
123.11699	42.7
125.09618	4.0
125.13251	4.2
133.10104	4.9
135.11676	11.1
137.09613	2.2
137.13240	8.3
139.11171	2.3
147.04379	2.4
147.11685	7.3
149.13248	27.0
151.11191	3.2
151.14827	2.2
153.12711	5.0
161.13312	5.9
163.14783	4.0
165.12749	3.3
167.14273	6.9
175.14813	2.1
177.16319	3.8
179.14288	1.7
189.16385	1.2
191.17934	2.3
203.17961	1.6
205.19514	1.3
209.18925	1.8
217.19516	3.4
261.25842	1.4
273.25714	5.8
279.26752	1.2
291.19516	1.7
291.26721	8.6
292.26968	1.2
309.27829	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	310.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
60.31348	0.4
60.50542	0.4
62.39526	0.3
63.02363	0.5
65.29881	0.4
71.05159	0.7
79.05479	0.9
79.50690	0.3
84.04490	2.8
89.03909	7.6
89.04458	0.3
95.04903	0.4
102.05511	1.3
107.04967	2.9
117.03366	10.4
130.04987	3.8
135.04402	20.6
145.02827	17.5
148.06015	3.9
149.05905	0.7
163.03883	100.0
164.04218	2.0
177.05447	6.0
186.05568	0.4
193.71382	0.4
198.08574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15798	0.5
63.02362	0.7
63.14150	0.5
65.85562	0.5
69.75952	0.5
71.35352	1.0
77.89690	0.5
78.04685	0.6
89.03903	7.6
91.05469	0.8
92.68457	0.5
110.98532	0.5
112.11254	0.7
117.03369	27.6
119.04971	0.7
121.44503	0.6
134.03613	1.9
135.04387	1.8
145.02837	60.2
146.03178	1.2
149.05966	9.4
163.03896	1.2
177.05460	100.0
178.05780	2.2
186.05550	1.1
256.09647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90913	0.8
55.52351	0.8
57.15374	0.8
63.02367	1.0
70.04050	1.2
71.02750	2.0
71.03100	0.9
71.76255	0.8
80.81141	0.8
84.04489	3.6
89.03909	7.4
91.05455	1.2
98.21334	1.0
117.03361	23.7
119.04941	1.2
121.06454	1.3
122.06838	0.9
125.76272	0.9
130.05020	2.2
134.03665	1.8
135.04367	4.0
145.02829	60.1
146.03105	1.0
146.68906	0.8
149.05959	8.8
163.03879	9.6
177.05449	100.0
178.05771	2.4
208.07268	0.9
220.07538	1.8
236.07027	1.6
300.58682	1.0
310.06952	5.7
310.14825	1.5
310.18491	1.2
316.43365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03938	1.4
55.01862	1.7
55.05505	20.9
56.96556	0.8
57.03434	3.9
57.07062	8.0
59.04987	2.9
65.03923	0.8
65.16097	0.6
67.05494	19.2
67.68676	0.8
68.73991	0.7
69.03429	1.7
69.07059	100.0
69.96304	3.5
70.07392	1.1
71.04977	2.0
71.08628	2.8
73.06547	2.9
79.05483	6.8
81.07047	41.8
82.07401	0.9
83.04980	1.6
83.08607	15.4
85.06533	7.0
91.05470	4.0
93.07030	18.1
93.07616	1.1
95.04971	1.5
95.08596	41.5
96.08963	0.8
97.06517	8.0
97.10168	3.4
99.08090	3.4
105.07014	3.9
105.55557	0.7
107.08574	16.9
109.06528	1.5
109.10140	19.2
111.08066	10.7
111.11703	24.4
113.09605	1.1
119.08598	2.9
121.10112	10.4
123.08036	0.8
123.11699	17.7
125.09623	1.6
125.13287	1.2
127.11178	1.0
129.12801	1.3
133.10126	1.7
135.11667	9.0
137.13234	4.5
139.11145	11.6
139.12016	0.8
147.04390	1.6
147.11684	2.3
149.13249	13.2
151.14864	1.6
153.12714	13.1
157.12273	0.9
161.13286	1.1
163.14796	3.9
165.12787	1.4
167.14291	3.8
182.00540	0.8
206.82986	0.7
221.18858	0.8
222.53331	0.7
273.25858	1.3
291.26855	5.4
309.27835	20.9
309.31177	1.4
310.28293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03940	1.8
55.01871	6.7
55.05506	25.7
56.96566	1.8
57.03433	1.8
57.07072	10.4
59.04990	4.1
61.83762	0.7
67.05497	29.1
69.03425	4.1
69.07061	100.0
70.04073	3.7
70.07378	1.2
70.13259	1.4
70.13670	2.7
71.04985	7.6
71.08633	4.0
73.06546	2.5
79.05486	11.8
81.07050	64.0
83.04984	3.0
83.08610	27.5
85.02895	1.0
85.06541	10.8
85.10169	1.4
89.06026	1.3
91.05470	7.2
93.07037	32.0
95.04965	3.9
95.08598	69.3
96.08927	0.9
97.06508	8.6
97.10158	8.6
98.97589	1.3
99.08073	6.4
102.60827	0.9
105.07024	11.4
107.08582	25.7
109.06540	2.2
109.10143	31.2
111.08072	48.3
111.11707	21.0
113.09624	1.2
115.07552	0.9
116.98618	0.9
119.04890	0.8
119.08569	7.2
121.10126	19.0
123.11693	22.1
123.12564	1.3
125.09615	5.6
129.12808	1.5
131.08534	0.9
133.10121	5.7
134.99658	0.8
135.11693	9.0
137.09636	0.8
137.13245	9.5
139.11174	15.2
139.12193	1.1
145.10149	1.3
147.04404	2.2
147.11664	6.8
149.13240	16.4
151.11215	3.0
151.14853	2.5
153.12764	2.3
157.12292	0.9
161.09659	0.8
161.13234	5.0
161.44341	0.8
163.14813	4.9
165.12778	3.0
165.16455	1.8
167.14336	2.0
175.14777	1.4
177.16454	3.1
179.14404	1.5
179.17970	2.4
189.16449	1.3
191.18001	2.3
203.17995	2.1
209.18974	3.7
217.19533	1.3
220.25386	0.8
221.18900	1.0
247.24229	1.7
261.25873	1.6
267.09024	1.4
273.25693	4.5
279.26877	2.2
281.11847	0.8
285.10223	1.0
291.26782	13.9
309.08505	1.2
309.11603	0.8
309.27829	18.2
309.31091	1.3
309.45517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03935	0.8
55.01857	0.8
55.05510	15.5
56.96558	0.7
57.03433	2.3
57.07074	4.2
59.04994	1.9
67.05505	7.6
69.03442	0.9
69.07066	100.0
70.04072	1.4
70.07417	0.7
71.04967	0.8
71.05309	1.0
71.08629	0.7
71.24374	0.4
73.06543	1.3
79.05490	4.3
81.07054	24.8
83.04989	0.7
83.08623	6.7
84.08153	1.0
85.02943	0.5
85.06531	2.7
85.10168	0.9
91.05469	3.4
92.86967	0.5
93.07040	8.2
95.04966	1.3
95.08605	21.0
97.06527	3.6
97.10161	4.2
98.97547	0.7
99.08077	2.6
105.07011	3.1
107.08589	8.3
109.06554	0.8
109.10165	9.1
111.08093	2.6
111.11716	24.4
112.11263	0.8
112.12051	0.6
113.09624	0.8
117.07047	0.4
119.04931	2.6
119.08614	1.6
121.06538	0.5
121.10138	7.7
123.08080	0.6
123.11710	8.9
125.09660	1.3
125.13274	0.8
129.12766	2.7
129.13620	0.4
133.10167	1.6
135.11699	3.8
137.13272	4.4
139.11177	17.7
142.42538	0.5
147.04375	6.8
147.11682	1.1
148.04764	1.0
149.13263	5.1
151.07574	1.7
151.08690	0.5
151.14934	0.7
153.12740	2.6
157.12228	2.8
159.11702	0.5
161.13248	1.2
161.71623	0.5
163.14845	3.3
165.10316	0.7
167.14348	1.1
175.03944	0.9
177.16440	0.6
179.56468	0.5
181.15982	0.5
190.65816	0.4
207.06519	0.7
218.98132	0.6
221.18979	0.5
234.45015	0.5
242.85321	0.5
249.09341	0.5
273.25858	0.7
277.08743	0.5
279.61215	0.5
286.12360	0.5
291.26773	3.5
309.21890	1.7
309.27869	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	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.53693	8.1
55.05514	20.3
56.16555	9.0
57.03419	45.7
57.14623	8.5
67.05491	85.6
69.07050	32.7
69.46397	15.3
69.46796	68.7
70.04059	37.8
71.08619	45.4
79.05481	61.6
81.07052	100.0
83.04977	18.7
83.08595	14.1
91.05461	36.6
93.07028	90.4
95.04971	18.4
95.08596	76.2
97.06541	15.6
97.10130	15.1
99.08086	34.8
105.07030	27.6
107.08582	72.0
109.06490	10.7
109.10134	30.4
117.06979	11.1
119.08604	20.6
121.10120	52.0
123.11699	11.6
131.08583	15.3
133.10094	17.4
135.11670	40.7
137.09595	15.2
145.10074	20.1
147.11685	18.6
149.13297	14.3
151.11137	22.4
161.13283	15.0
171.11720	8.9
175.14734	9.6
179.14307	77.1
183.82700	11.7
187.14740	14.9
205.15887	10.8
218.16595	9.0
241.19522	11.4
277.21594	55.9
291.23346	10.2
303.62512	9.6
309.32361	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	309.2422
Annotation	Yaretol
Peak:m/z	Relative Intensity
53.03920	0.8
55.01862	0.7
55.05507	10.3
56.96562	0.3
57.03421	1.2
57.07074	2.7
65.03927	0.6
66.31616	0.4
67.05500	12.1
69.03415	1.3
69.07062	12.3
70.04071	2.0
70.78671	1.2
71.04990	1.9
71.08624	12.2
73.06520	0.4
78.31287	0.4
79.05484	8.2
81.07053	20.2
83.04971	2.5
83.08619	5.0
85.06545	1.9
91.05469	5.6
93.07037	16.9
95.04962	3.9
95.08597	15.9
97.06522	3.7
97.10176	3.7
99.08085	7.5
105.07019	6.6
107.08584	12.0
109.06508	6.6
109.10151	5.2
111.08051	1.8
117.06983	0.8
119.08572	6.5
121.10148	4.6
123.08046	2.2
123.11729	2.1
125.09615	0.9
129.07042	0.4
131.08513	2.0
133.10110	3.5
135.08060	0.6
135.11687	3.7
137.09590	0.7
137.13232	0.5
139.11176	0.9
143.08539	0.9
145.10115	0.6
147.11659	2.5
149.13234	2.9
151.11166	1.3
153.12758	2.4
157.10112	1.1
159.11684	0.8
161.13258	2.3
163.14801	2.1
164.96086	0.4
165.12755	9.7
167.14331	0.8
171.11592	0.7
175.14821	2.2
177.16331	0.5
179.14294	1.3
185.13232	0.5
189.16345	0.8
193.15858	4.8
199.14835	0.7
207.17432	0.4
213.16365	0.6
217.15858	0.4
221.15364	0.6
235.16875	2.2
245.22641	0.6
249.18533	0.8
255.23680	0.4
263.23761	1.3
273.22232	0.7
281.06119	0.4
291.23148	24.9
292.23462	0.7
309.24216	100.0
310.24573	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.05507	13.8
56.70162	2.7
56.96561	3.1
57.03411	4.9
57.07066	4.2
59.15944	2.8
67.05505	20.7
69.07066	20.8
69.99241	6.7
69.99654	9.5
70.04062	10.8
71.04986	2.7
79.05482	27.4
79.25697	2.7
80.00352	2.7
81.03413	3.5
81.07054	31.6
83.04961	2.8
83.08607	5.3
91.05462	32.5
93.07037	58.0
95.04960	51.5
95.08598	35.1
97.06528	14.5
103.05458	4.3
105.07019	74.5
107.04953	9.1
107.08569	31.9
109.06499	12.0
109.10143	18.4
115.05453	4.1
117.07028	13.0
119.08565	58.2
121.06467	6.3
121.10135	100.0
122.77056	2.6
123.08041	11.4
123.11697	8.5
128.06192	8.7
129.07011	15.6
131.08577	32.6
133.06505	3.7
133.10118	30.0
135.08043	5.8
135.11685	8.3
141.06993	5.4
142.07773	11.5
143.08537	24.9
144.09366	6.1
145.06552	3.3
145.10104	46.8
147.11679	11.1
149.09581	3.9
155.08566	10.5
156.09343	11.7
157.10117	32.1
159.11659	34.6
161.09651	7.7
161.13251	5.3
165.06911	2.9
167.08514	3.4
168.09435	3.1
169.10133	12.9
170.10840	5.1
171.11665	19.0
173.09631	4.3
173.13235	15.0
175.14777	6.9
179.08502	3.1
181.10118	7.4
182.10973	4.2
183.11586	14.3
185.13264	9.2
187.11166	8.8
187.14787	15.9
195.11707	8.1
196.12477	3.1
197.13219	10.9
199.11116	3.4
199.14859	9.4
201.16351	3.5
207.11661	6.1
209.13246	7.9
211.14832	8.2
215.14130	3.1
221.13152	6.7
223.14928	5.5
225.16418	5.0
235.14795	6.7
249.16368	4.6
253.15849	5.5
265.19513	4.9
273.49609	2.7
281.22705	6.5
291.21045	8.6
309.22101	61.5
310.22644	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2204
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03931	6.0
55.01873	5.2
55.05500	20.6
57.03429	4.3
57.07063	6.2
63.94656	2.3
65.03910	5.5
67.05501	37.7
69.03399	3.1
69.06767	2.3
69.07063	25.1
70.04057	10.7
71.04984	3.3
71.48571	3.1
71.48918	3.4
72.93774	4.5
79.05482	36.6
81.03404	4.8
81.07047	53.1
83.04978	5.2
83.08608	8.3
86.99035	2.4
90.94802	5.3
91.05466	44.8
93.06464	3.8
93.07031	70.9
95.04357	3.8
95.04961	59.9
95.07979	2.7
95.08588	47.2
96.99565	2.4
97.06535	18.2
97.10110	3.7
103.05430	3.1
105.07014	87.0
107.08578	45.3
109.06514	14.6
109.10149	25.2
115.05411	6.1
116.96354	5.4
117.07005	17.9
119.08572	70.6
121.06501	11.1
121.10130	100.0
123.08059	13.1
123.11670	8.4
128.06190	10.9
129.06982	16.0
130.07747	7.8
131.08546	44.2
133.06461	2.8
133.10120	42.9
134.97380	7.4
135.08014	6.7
135.11652	10.5
141.06961	8.6
142.07741	16.0
143.08539	31.6
144.09285	7.3
144.95775	4.3
145.06493	2.7
145.10106	50.7
146.97322	5.3
147.08023	5.0
147.11655	12.5
149.09561	5.3
149.13229	3.9
150.96811	4.3
154.07677	4.7
155.08524	15.4
156.09308	11.9
157.10120	48.1
158.10860	7.1
159.08008	4.7
159.11679	39.1
161.09573	10.2
161.13196	6.0
162.96893	3.4
164.98450	40.6
165.07011	3.6
166.07809	2.7
167.08560	4.3
167.24582	2.8
168.09323	4.6
169.10124	25.3
170.10846	4.4
171.11685	22.1
172.12383	3.6
173.09576	5.8
173.13211	17.7
175.14775	10.4
176.98415	2.6
179.08534	6.7
181.10068	10.0
182.10857	5.1
183.11641	17.7
185.13208	13.0
187.11125	12.4
187.14810	20.3
187.99983	6.5
189.16275	3.9
193.10094	8.5
195.11649	11.7
196.12398	3.2
197.13214	10.5
199.11111	4.0
199.14786	10.4
206.10851	4.5
206.99458	12.1
207.11682	6.6
209.13307	13.6
211.14673	11.8
213.12758	2.8
213.16403	5.5
215.14119	3.3
218.99464	7.8
220.12460	4.0
221.13156	4.9
223.14748	5.9
225.12657	3.7
225.16325	8.1
230.99417	3.6
233.13130	3.2
235.14755	9.0
237.16386	4.0
239.17924	4.9
241.15656	3.4
242.99519	4.0
249.00519	7.0
249.16209	4.7
251.17888	2.4
252.18619	3.3
252.64537	2.6
253.15770	7.4
258.57172	2.7
265.19504	5.7
276.18210	2.6
281.22580	9.3
291.20834	9.2
309.02725	5.7
309.22018	91.4
310.14801	3.3
310.22495	4.3
327.33511	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01858	13.9
55.05267	6.4
55.05508	42.5
56.96552	18.2
57.03426	37.1
57.07052	10.9
62.97877	5.4
66.96265	5.1
67.05499	74.1
69.03407	9.4
69.07050	40.3
69.78378	17.7
69.78813	17.2
70.04078	31.5
71.04398	5.8
71.04985	11.5
79.05490	67.6
81.03410	18.3
81.07049	100.0
83.04969	13.8
83.08610	27.4
84.08126	7.5
85.06535	14.2
91.05464	51.8
93.07034	64.2
95.04955	24.0
95.08601	88.7
97.06548	38.6
97.10152	16.6
98.97552	13.8
99.08072	28.5
102.96875	6.5
105.07021	46.2
107.04915	12.7
107.08574	57.2
109.06494	23.8
109.10131	39.2
111.04415	10.1
111.08087	7.8
112.88892	5.7
116.98602	9.1
117.06992	23.6
119.04903	7.1
119.08578	32.8
121.06485	10.3
121.10107	29.2
123.08031	10.0
123.11697	18.8
125.06013	6.9
125.09583	9.9
127.07552	12.2
129.07019	11.7
131.08542	26.7
133.10115	24.7
134.99602	14.9
135.08038	15.4
135.11708	18.6
136.06183	5.8
137.09590	14.3
137.13242	7.2
143.08575	11.4
145.10095	24.3
147.04405	7.1
147.08058	10.2
147.11632	15.9
149.09596	9.4
149.13193	19.2
151.07506	8.8
151.11140	10.0
157.10136	17.0
159.08168	12.3
159.11713	12.1
161.09628	12.3
161.13251	7.0
162.98949	5.0
163.11253	11.5
167.14352	6.0
171.11726	8.7
173.13245	12.5
175.11215	10.3
177.00661	12.0
182.15479	7.0
187.14882	9.8
198.27933	6.1
199.14778	7.3
201.12653	7.1
212.93492	11.2
217.15871	14.0
230.94644	7.8
251.16284	6.5
255.17569	7.8
260.14081	11.9
272.95657	9.3
273.18451	33.8
286.08054	7.8
286.15604	12.5
291.19473	53.8
291.26596	7.1
309.15515	7.5
309.20547	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.22275	2.7
53.03932	8.8
55.01863	10.5
55.05262	4.7
55.05509	66.5
56.96548	4.6
57.03148	2.4
57.03415	8.4
57.07067	8.0
59.04982	4.5
65.03900	2.9
66.28553	2.3
67.05498	53.1
69.03420	12.9
69.07061	44.7
69.48405	18.8
70.04059	12.2
71.04988	8.4
73.02845	2.7
76.90878	2.0
79.05056	3.0
79.05483	44.4
81.03416	15.7
81.07050	94.6
82.07381	3.8
83.04960	14.9
83.08611	39.9
85.06532	6.5
91.05470	37.0
93.07035	56.9
94.07365	3.5
95.04957	41.5
95.08593	66.0
96.08907	2.9
97.02888	2.2
97.06536	8.8
97.10164	56.5
98.20738	4.8
98.97577	7.0
99.04434	2.4
99.08086	5.0
105.07028	26.8
107.04939	6.3
107.08588	39.6
108.08912	2.3
109.02867	3.0
109.06514	8.0
109.10155	25.5
111.04425	9.9
111.08085	11.4
111.11742	2.5
113.05978	5.1
114.69872	2.1
115.05485	2.3
117.07007	10.2
119.04914	4.0
119.08582	27.3
121.06483	7.1
121.10123	20.4
123.08059	100.0
123.11673	21.1
125.09617	36.9
125.77721	2.1
129.07008	6.4
131.08604	11.7
133.06459	3.1
133.10106	21.3
134.99611	3.9
135.08032	9.1
135.11632	13.4
137.09608	9.3
137.13268	2.8
137.30972	2.4
139.11148	4.2
143.08582	5.6
145.10126	14.7
147.04402	6.5
147.08051	9.3
147.11646	10.8
149.09564	5.6
149.13228	6.6
151.11166	4.3
153.09076	3.7
153.12735	5.0
155.08635	2.7
157.10060	4.8
159.11667	4.8
161.09683	4.1
163.11180	14.7
163.14862	5.0
165.09082	9.6
165.12666	3.9
166.48390	2.2
169.10106	3.2
169.12242	7.5
171.11668	4.0
173.13213	2.5
175.11108	5.1
177.12675	3.5
181.12209	6.9
185.13301	3.3
187.11252	3.9
187.13255	6.2
189.11229	28.0
189.12746	4.9
193.12253	9.4
211.13309	6.5
223.13271	6.4
227.12758	3.0
227.17854	3.6
249.14687	3.3
255.17462	5.0
263.19983	3.8
267.96249	2.2
269.08267	3.2
273.18420	32.7
286.15665	3.3
291.19498	56.0
291.26788	4.7
309.16769	11.4
309.20706	12.9
309.27664	10.7
320.92810	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	2.2
55.01864	5.3
55.05507	30.3
57.03425	2.3
57.07069	2.8
61.29605	1.0
63.35302	1.0
63.49273	1.0
65.03932	1.4
67.05497	16.1
67.12554	0.9
69.03423	3.4
69.07062	12.5
69.22389	1.0
70.04066	6.1
70.06605	0.9
71.04986	3.1
71.08625	1.4
71.59280	1.5
72.12062	1.2
76.02216	1.2
79.05486	14.7
79.09722	1.0
81.03413	3.2
81.07053	20.6
83.04964	4.7
83.05389	1.0
83.08609	13.9
85.06507	1.2
87.70528	1.1
91.05469	10.5
93.07032	15.0
93.60303	1.0
95.01337	1.4
95.04981	5.9
95.08604	9.0
97.06508	2.1
97.10159	19.6
99.08076	1.3
104.10697	1.0
105.07033	10.1
107.04953	3.2
107.08573	10.4
109.02884	1.9
109.06493	3.0
109.08038	0.9
109.10133	7.4
111.04433	2.5
111.08076	3.5
117.06995	4.9
119.08556	9.2
121.06500	2.6
121.10152	4.3
123.04402	2.3
123.08083	7.1
123.11701	2.0
125.09620	14.3
128.86510	1.0
129.06966	2.5
131.08569	5.4
133.06490	2.4
133.10103	5.0
135.08017	3.0
135.11743	2.0
137.05960	1.6
137.09586	2.9
143.08557	1.9
145.10098	5.2
147.08031	4.2
147.11678	3.5
149.09682	1.8
151.11157	1.5
153.09137	1.1
153.12740	1.4
157.10155	2.4
159.11661	1.7
161.09544	2.6
163.11159	2.1
165.09084	4.4
171.11696	1.3
173.09671	1.1
175.11313	1.1
181.12209	1.7
189.11185	8.4
223.13284	2.6
227.12723	1.2
245.19051	2.2
255.17397	1.4
263.20135	1.2
266.95456	1.0
272.95795	1.7
273.18460	11.3
291.19510	100.0
292.19720	5.1
309.08853	4.0
309.15793	1.3
309.20605	6.1
309.24173	1.4
333.20087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03660	1.5
53.03933	6.3
55.01667	1.8
55.01871	18.1
55.05504	30.9
56.96524	1.8
57.03423	5.7
57.07060	6.5
65.03951	1.9
67.05495	76.2
69.03421	5.6
69.07059	40.7
70.04057	9.3
70.72527	5.0
71.04990	11.4
71.08641	2.7
73.06557	1.7
76.02209	2.9
79.05486	46.7
81.03381	4.3
81.07047	97.2
82.07372	2.3
83.01324	3.9
83.04967	15.5
83.08611	10.8
85.02882	2.4
85.06526	9.3
91.05473	53.0
93.07029	52.5
95.04964	17.6
95.08601	47.3
97.02900	2.2
97.06522	10.0
97.10162	7.3
99.04424	3.8
99.08070	2.6
105.07020	58.4
107.04939	8.0
107.08583	53.3
109.06499	18.0
109.10143	87.1
110.10500	2.2
111.04430	6.2
111.08057	13.5
113.05994	4.2
115.05418	1.9
117.06996	8.5
119.08590	17.9
121.06483	12.9
121.10114	13.6
123.04439	3.1
123.08047	6.7
123.11723	11.7
124.02199	1.6
125.05901	2.5
125.09611	5.9
127.07539	4.7
128.06224	2.3
129.06985	5.7
131.08559	16.4
133.06480	7.5
133.10117	100.0
134.10443	3.2
134.99673	2.6
135.08017	8.2
135.11674	8.4
137.05945	4.6
137.09598	3.2
139.07521	7.0
143.08533	7.1
145.10132	12.9
147.08051	11.2
147.11668	7.9
147.46245	1.8
149.09618	7.3
151.11162	57.9
152.11497	2.1
157.10092	7.6
159.11644	4.0
161.09602	13.6
161.13226	3.5
163.11240	4.7
165.09074	2.4
165.12656	2.1
169.12219	16.4
171.11668	7.7
173.09618	2.7
173.13138	2.5
175.11162	9.3
177.12756	3.7
179.10652	5.0
179.14177	1.9
181.12251	3.0
185.13339	3.0
187.15025	1.7
189.12729	3.8
199.11211	3.8
203.14302	3.6
207.13860	3.1
215.12714	5.1
217.12238	1.9
227.17865	3.7
230.94667	2.3
235.13257	2.5
245.19035	17.7
255.17412	4.1
260.69968	2.2
263.20047	18.1
273.18472	38.6
291.19510	73.5
292.19797	3.1
309.20544	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	5.4
55.01855	11.6
55.05258	3.9
55.05502	47.3
56.96549	5.0
57.03412	3.5
61.57241	2.5
64.64953	3.1
67.05498	47.9
69.03402	8.1
69.07055	22.2
69.92104	17.2
70.04070	41.2
71.04391	3.3
71.04955	3.0
71.08591	3.5
79.05476	36.4
81.03389	9.0
81.07048	58.1
83.04975	9.7
83.08607	25.1
91.05476	28.7
93.07023	34.9
95.04951	17.4
95.08594	32.4
97.06535	5.2
97.07249	3.1
97.10158	40.8
98.20746	5.5
105.07027	29.5
106.54158	2.8
107.04904	7.1
107.08577	20.6
109.06530	7.9
109.10141	16.4
111.04411	8.2
111.08067	3.8
117.07009	10.5
119.08559	22.3
121.06483	9.2
121.10097	11.7
123.08048	30.5
123.11640	4.9
125.09604	26.9
129.07004	8.1
131.08562	20.6
133.06500	4.3
133.10114	15.7
134.99643	6.8
135.08060	8.2
135.11708	4.2
143.08534	6.0
145.10089	15.4
147.08026	13.4
147.11665	7.4
149.09579	3.7
151.11116	3.2
152.68007	3.4
153.09123	3.9
157.10083	5.6
159.11601	5.7
161.09593	6.8
161.13252	4.4
163.11166	10.3
165.09117	10.1
171.11639	6.8
175.11104	6.8
185.13206	3.1
189.11156	15.7
189.12666	3.9
190.95328	4.0
195.11565	4.6
245.18950	6.2
249.14844	3.0
254.94594	3.1
255.17458	3.0
263.02911	3.7
272.95880	4.3
273.18457	28.8
291.19482	100.0
292.19815	6.5
309.15979	13.6
309.20316	23.1
310.15109	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01854	14.9
55.05508	32.5
56.04099	6.1
56.71288	5.9
57.03429	14.1
57.07058	7.7
67.05504	40.5
69.07058	19.9
70.04072	33.5
70.08768	29.9
71.08617	8.7
77.23435	6.4
79.05477	59.4
81.07054	100.0
83.04967	16.7
83.08621	13.8
85.02900	9.2
85.06566	11.9
85.88932	6.0
87.75793	6.1
91.05456	33.7
93.07037	35.1
95.04965	18.5
95.08577	35.9
104.04951	7.4
105.07040	35.4
107.08598	26.2
109.06512	55.2
111.04436	14.8
111.08034	15.4
113.06056	11.0
117.06992	11.0
119.08582	31.0
121.06485	12.4
121.10152	12.1
123.08056	16.3
123.11664	7.3
125.09605	10.7
128.68939	6.7
129.06949	9.6
131.08527	18.4
133.10136	10.5
135.08038	16.9
135.11551	7.5
136.67455	6.2
137.10799	9.4
143.08617	8.3
145.10127	20.2
147.08022	9.4
147.11688	12.2
149.09535	11.4
157.10138	11.9
159.11621	8.9
161.09566	18.0
163.11194	8.1
173.09624	8.3
181.12292	8.8
190.95372	13.0
208.41553	6.9
249.23093	17.3
263.03021	8.4
268.07214	8.8
273.18439	36.4
291.19531	72.5
297.15292	7.2
309.15521	9.2
309.20563	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	5.3
55.01871	13.8
55.05505	56.9
57.03429	6.5
59.05023	1.8
65.03933	1.5
67.05497	43.2
69.03439	8.2
69.07062	28.3
69.07413	3.0
69.62506	3.9
69.62910	10.3
70.04054	2.2
71.04986	4.5
71.34643	1.5
71.58604	1.4
76.00309	1.5
79.05485	50.0
81.03416	16.2
81.07047	100.0
83.04964	16.0
83.08609	28.5
85.02900	3.2
85.06528	3.5
91.05464	24.3
93.07024	32.6
93.07545	2.8
95.04965	22.4
95.08595	27.3
97.06520	10.4
97.10161	41.1
98.65693	1.5
99.04447	3.8
99.08078	6.5
105.07022	21.6
107.04933	8.5
107.08575	25.0
109.06479	9.2
109.10148	12.2
111.04436	17.1
111.08065	12.7
113.05994	3.0
117.07020	7.6
119.08568	19.1
120.03478	1.5
121.06479	3.5
121.10158	12.9
122.06149	1.8
123.04484	1.8
123.08056	36.2
123.11709	1.7
125.09602	36.9
127.07490	2.1
129.06998	5.6
131.08565	11.7
133.06508	5.0
133.10120	7.2
135.08066	4.6
135.11658	9.2
137.09564	10.7
139.11179	3.1
141.06935	1.7
143.08537	4.5
145.10126	9.4
147.08034	8.2
147.11674	7.2
149.09598	5.7
149.13232	2.4
153.09070	3.1
153.12735	7.1
157.10181	4.1
159.11711	2.7
161.09599	4.1
163.11172	27.9
165.09088	8.5
171.10234	2.6
171.11708	3.4
175.11171	6.9
177.12631	2.6
181.12241	8.5
185.13306	2.0
189.11195	26.8
189.12726	3.0
191.10634	7.9
193.12215	17.9
194.05858	1.7
207.17462	1.6
209.11739	2.2
211.13286	5.2
217.15904	2.4
223.13251	4.8
227.12778	4.2
232.05183	1.6
237.16495	2.2
245.18919	3.9
249.14995	1.6
255.17416	4.9
263.20084	6.5
266.21167	3.3
273.18430	22.7
291.19501	72.4
292.19769	2.6
309.20667	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01881	17.6
55.05502	23.2
57.07064	4.4
67.05505	30.7
69.07051	11.1
70.54663	9.7
71.04987	4.9
79.05492	33.7
79.35525	3.4
81.07053	89.6
83.04983	25.5
83.08603	15.2
85.02863	8.3
88.08930	3.2
91.05487	23.4
93.07038	28.1
95.04947	15.9
95.08595	25.4
96.28891	3.8
97.06525	7.1
97.10152	12.6
99.04446	4.6
105.07001	21.4
107.04929	3.7
107.08566	21.2
109.06505	7.9
109.10140	11.1
111.04438	41.9
111.08060	13.8
117.06992	12.4
118.81940	3.0
119.08577	32.6
121.06470	8.5
121.10112	14.2
123.08035	8.9
125.09608	10.2
129.06973	3.8
131.08551	12.9
133.10104	6.2
135.08037	9.6
135.11671	8.7
135.86440	3.5
137.09648	4.6
143.08591	4.3
145.10078	21.0
147.08022	11.9
147.11674	6.1
149.09590	8.6
153.12730	7.2
157.10144	4.2
161.09647	3.5
163.11128	20.8
165.09172	4.2
171.11598	4.3
173.09596	4.0
181.12186	17.4
189.11163	7.8
191.10666	14.3
223.13283	6.8
227.12767	7.2
255.17416	4.8
273.18457	35.4
291.19531	100.0
292.19965	5.6
316.38968	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02371	2.8
53.03953	15.5
55.01863	20.7
55.05503	28.5
56.73923	2.5
56.96563	6.7
57.03206	3.3
57.03439	27.7
57.07069	8.3
58.77385	2.9
61.25626	2.9
64.01311	2.6
67.05504	78.8
67.88981	2.6
69.03425	8.7
69.07062	35.3
70.04069	15.3
70.93509	3.2
70.93845	6.4
71.04977	13.4
79.05489	52.6
81.03416	31.1
81.07052	100.0
83.04978	28.1
83.08616	21.9
85.02920	3.4
85.06551	13.9
91.05482	43.5
93.07040	55.8
95.04958	31.0
95.08605	60.5
97.06512	21.0
97.10175	14.5
98.97586	3.4
99.04462	8.1
99.08097	11.5
105.07030	42.6
107.04964	19.4
107.08590	34.6
109.06516	31.5
109.10152	31.8
111.04439	37.6
111.08089	11.9
113.06006	17.2
116.98641	4.9
117.07024	20.8
119.04943	2.6
119.08595	30.0
121.06502	11.6
121.10156	18.5
123.08070	23.7
123.11720	10.2
125.09636	11.4
127.07598	5.4
129.07047	8.5
129.22237	2.6
129.75569	3.0
131.08566	28.2
133.06496	5.7
133.10121	26.9
134.99637	7.1
135.08034	21.7
135.11699	14.8
135.43452	2.6
137.09668	13.0
143.08551	12.0
145.06551	5.3
145.10133	17.4
147.04416	5.9
147.08080	5.8
147.11690	8.6
149.09608	13.4
149.13286	8.6
151.11179	9.8
153.09073	6.5
157.10126	12.2
159.11703	13.3
161.09624	7.7
163.11206	11.3
165.09128	5.6
169.10144	3.6
171.11642	6.6
173.13290	3.3
175.11203	7.3
177.12755	3.9
181.12218	3.4
183.11711	3.7
185.13324	4.5
187.11180	6.0
189.11226	5.6
191.10796	3.1
193.12209	4.5
199.14783	4.8
201.12872	3.0
217.15884	13.1
219.13716	3.7
221.15344	3.5
223.13225	4.7
233.15431	4.3
235.13319	3.5
235.16844	3.7
241.14339	4.5
255.17429	5.7
260.14066	3.6
263.20111	6.8
272.95685	5.5
273.18500	25.7
276.85840	2.8
286.08032	4.6
286.15695	4.6
291.19568	68.0
309.20676	16.1
309.27890	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	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01853	4.6
55.05493	5.8
55.92540	1.5
57.03433	28.7
57.07059	4.9
67.05499	24.1
69.03450	1.6
69.07043	3.9
69.67092	13.2
70.04066	1.8
71.04980	2.3
71.08615	2.7
73.67164	1.4
79.05483	11.3
81.07056	17.7
83.08597	3.4
84.14291	1.7
85.06536	36.3
91.05473	12.0
93.07042	9.7
95.04962	34.7
95.08585	9.9
97.06541	1.8
97.10135	2.3
98.20792	3.3
105.07014	9.6
107.04913	3.3
107.08578	8.7
109.06512	39.8
109.10146	3.2
113.05997	100.0
114.06374	2.2
117.06995	6.0
119.08588	4.9
121.10153	3.3
123.11698	1.8
129.07014	2.9
131.08540	8.4
133.10127	4.4
135.08041	30.7
135.11655	3.4
143.08575	3.4
145.10130	5.7
147.08054	2.1
147.11684	1.9
149.09602	3.9
149.13354	1.6
157.10172	3.4
159.11687	3.8
161.09607	4.1
163.11157	4.0
171.11705	3.0
177.12801	2.1
185.13091	2.3
212.15451	1.6
217.15887	11.2
245.19012	2.4
273.18433	14.7
291.19519	47.7
292.19833	3.9
309.21472	1.5
309.27856	6.0
310.73395	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	308.1521
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
55.05502	0.6
56.96554	0.4
57.07068	0.9
59.04992	1.6
67.05500	0.5
69.07056	0.4
69.52989	0.3
70.04068	100.0
70.93342	0.7
70.93689	0.3
76.02219	0.6
78.26519	0.3
81.07050	0.5
83.08603	0.5
115.05417	0.5
116.06251	0.9
117.71423	0.3
119.08606	0.4
125.01525	6.0
130.07803	0.4
131.67918	0.3
136.82813	0.3
137.05952	0.4
139.03117	0.8
139.44908	0.3
151.03047	2.7
156.00992	0.3
165.04669	0.6
171.15672	0.3
175.03818	0.3
175.31676	0.3
179.04840	0.4
308.15204	30.3
309.15485	0.7
329.88922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05511	0.4
57.07059	1.1
66.04715	0.4
67.05488	0.9
69.07041	1.0
69.61631	0.6
69.62033	2.4
70.04065	6.6
71.08614	1.0
79.05469	1.0
80.51507	0.4
81.07043	2.9
82.38550	0.3
83.08593	0.5
91.05456	1.0
93.07021	0.9
94.01067	0.3
94.04168	2.5
95.04991	0.5
95.08595	1.5
97.06519	0.5
99.08066	0.7
105.07030	0.4
107.04994	0.3
107.08580	0.8
109.06513	0.9
116.98401	0.3
119.08611	0.4
121.02801	0.3
122.03645	6.4
125.01514	0.5
132.93796	0.3
137.05960	100.0
137.13254	0.6
138.06287	1.8
155.14281	0.3
165.12721	0.5
172.16933	1.2
184.16959	2.1
207.06662	0.4
291.23074	3.6
308.15280	2.0
308.25812	1.2
312.79315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
53.16943	2.0
55.01849	7.2
55.05504	25.9
57.03418	4.9
57.07072	12.8
58.12709	1.9
59.77882	2.4
67.05495	52.1
69.03416	2.4
69.06717	2.5
69.07063	33.4
70.04055	7.4
70.21289	5.5
70.21714	4.5
71.04968	6.6
71.08596	8.2
73.01123	6.6
79.05051	3.5
79.05483	43.9
81.03407	4.5
81.07047	100.0
83.04957	9.0
83.08604	18.7
85.01102	4.5
85.06545	2.8
87.02655	4.6
91.05468	41.2
93.06465	3.1
93.07027	45.3
95.04961	12.4
95.08036	3.4
95.08604	39.9
97.01105	13.3
97.06503	9.0
97.10130	7.9
98.20847	2.9
98.97573	3.3
99.02666	6.1
99.08096	4.8
105.07014	40.7
107.04938	11.6
107.08579	26.4
109.06500	16.7
109.10143	20.9
111.02654	22.7
111.04422	4.5
111.08049	9.6
111.11679	2.8
113.00538	1.9
113.04193	7.7
113.05984	3.7
115.02144	3.1
115.05788	31.2
116.98544	2.9
117.06971	8.1
117.68903	1.9
119.08561	27.8
121.06478	7.5
121.10152	18.9
123.02586	5.7
123.08068	10.5
123.11693	9.5
125.04234	13.7
125.09573	4.0
127.02121	4.9
127.05821	3.1
127.07494	2.3
129.07051	2.9
131.08554	18.5
133.10124	24.6
134.99640	4.3
135.08040	4.0
135.11650	11.5
137.04152	7.6
137.09586	6.3
137.13249	2.9
139.05775	23.1
141.03723	2.2
141.07263	4.5
145.10129	15.1
147.11664	18.0
148.80760	2.7
149.09578	9.1
149.13226	8.4
151.05759	4.5
151.11150	6.8
153.07333	5.2
155.08591	2.6
157.10083	5.0
159.11659	12.5
161.09541	2.5
161.13246	4.2
163.11165	19.9
165.07281	3.5
165.12802	3.0
167.08905	6.2
171.11662	2.9
173.13229	4.9
175.11165	3.1
177.12741	2.5
179.08847	6.3
183.08441	3.9
183.11630	2.6
187.11142	2.1
189.07298	2.1
189.12810	3.9
191.14276	3.6
193.10440	4.1
193.12158	2.6
197.13261	3.0
203.08881	3.9
212.93558	3.2
221.10136	2.8
223.11559	3.7
229.19345	2.4
230.94688	3.4
233.15291	2.3
235.92818	2.0
239.10962	5.5
239.17932	6.4
253.12552	4.5
257.18915	8.5
273.18695	4.1
273.26059	2.5
275.20056	31.3
291.17206	16.4
291.26682	2.4
309.16022	2.5
309.18759	70.1
309.27744	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
53.34734	0.4
55.05508	2.3
58.06583	0.5
65.03937	1.2
66.38385	0.4
67.05494	0.9
69.03419	0.4
69.07028	0.7
70.04076	3.7
70.06554	0.4
70.47711	0.4
71.60054	0.8
74.02425	0.8
76.02220	2.0
76.77296	0.4
79.05501	2.1
81.07025	0.5
84.04495	1.8
84.08125	1.1
88.03983	1.8
91.05475	20.2
93.07059	2.2
95.04943	0.7
101.07159	0.4
103.05444	0.6
104.06303	0.6
105.07024	22.9
107.08588	2.6
112.11239	2.7
115.05460	0.5
116.01695	0.6
117.07008	3.4
119.04940	16.5
119.08572	100.0
120.05251	0.7
120.08905	1.8
121.10149	0.9
129.13889	1.4
131.08572	0.8
134.04524	2.3
137.74019	0.5
142.07770	1.1
144.06580	1.4
145.10141	1.6
147.04402	52.4
147.11678	51.0
148.04752	1.7
148.12029	1.4
149.13269	3.0
157.10147	0.9
160.08824	0.6
162.02182	0.8
168.06535	0.5
175.03931	4.1
175.11174	24.3
176.11569	0.5
177.05531	0.5
179.04814	0.6
190.36934	0.4
196.06084	1.3
202.12271	1.1
207.06505	4.3
214.07092	1.8
244.13309	0.6
262.14264	2.4
290.13812	3.2
290.60858	0.4
308.14914	6.1
316.49213	0.5
330.70117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.46300	1.1
53.03936	1.6
55.01862	4.8
55.05259	1.3
55.05505	13.3
56.97583	1.0
57.07070	7.0
59.04982	1.5
65.03900	1.1
67.05495	16.8
69.03422	4.3
69.07059	39.8
69.96345	4.2
70.04060	3.9
71.04990	5.7
71.08625	1.9
72.17069	1.0
72.93771	1.5
73.02899	1.7
73.06610	1.1
79.05475	14.0
81.07048	100.0
82.07383	1.4
83.04971	3.6
83.08608	9.7
84.08131	4.1
85.06536	6.4
91.05476	11.4
93.07030	44.5
95.04965	10.0
95.08594	36.8
97.06533	12.4
97.10164	4.0
98.20807	1.2
99.04404	1.2
99.08082	2.6
101.05991	2.5
105.07008	14.2
107.08580	39.2
109.06506	7.1
109.10149	36.8
111.08068	36.3
111.11712	4.3
112.11277	1.4
119.04977	2.0
119.08585	5.2
121.06508	1.3
121.10139	13.8
123.08065	2.9
123.11696	19.6
125.09608	2.8
133.10120	15.5
135.11670	16.6
137.09656	1.2
137.13222	8.5
138.09019	1.1
139.11197	9.0
145.02791	1.4
145.10085	2.8
147.04404	1.6
147.11664	6.3
149.13229	4.6
151.09955	1.5
151.11169	31.6
153.12741	11.4
159.11656	3.7
161.13327	2.1
163.11192	1.7
163.14836	1.5
165.12732	4.5
167.14354	1.3
169.12250	4.2
173.13269	1.6
175.03807	1.7
175.14882	1.7
177.05446	1.3
177.12923	1.4
177.16408	2.2
178.48305	1.1
180.67838	1.3
187.14754	1.9
189.16345	2.5
191.18030	1.5
201.16374	1.7
203.17877	1.6
207.06554	3.0
213.10780	1.5
217.19507	1.3
271.23996	1.8
283.98468	1.8
289.25186	10.2
290.13882	2.6
307.09482	2.2
307.23151	1.4
307.26279	31.8
308.15155	1.4
308.26767	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05497	1.6
55.93517	1.9
56.94300	2.4
56.96553	1.0
57.07076	0.5
67.05495	3.3
69.03413	0.9
69.07054	1.1
70.04072	7.0
70.94553	1.2
70.95850	5.6
71.88760	0.5
71.93004	1.0
72.93389	0.8
72.93781	15.1
76.02207	1.0
79.05476	0.8
81.03403	1.8
81.07056	3.5
83.08604	0.5
88.96906	3.3
90.94256	0.9
90.94817	13.6
91.05419	2.1
93.07036	1.5
95.04974	1.0
95.08602	1.5
100.96864	0.5
102.94820	0.9
105.07030	1.0
106.97949	0.9
107.08575	0.7
107.17381	0.4
108.95861	8.4
109.10133	0.5
113.96396	2.6
116.96364	1.7
116.98571	0.8
118.94280	0.8
119.04910	0.8
120.95778	0.4
121.10139	0.6
125.01521	0.5
125.96120	1.1
126.96935	0.7
126.98419	2.7
128.96346	4.1
130.97905	1.6
131.97417	1.0
132.95811	1.6
134.97395	3.1
136.95287	1.3
138.98421	2.4
140.96391	0.5
142.97850	1.0
144.95834	1.7
144.99452	5.7
146.97394	4.1
146.98517	0.6
146.98866	0.5
148.97908	0.6
148.98930	3.4
150.96875	2.9
150.98296	0.7
151.02060	1.7
152.99979	0.7
154.97928	2.1
156.99506	2.2
158.97414	1.3
159.00983	1.6
160.98965	1.4
162.96857	2.9
164.98659	0.6
164.99966	2.8
165.03639	3.6
166.97876	2.1
167.01549	0.5
168.99464	1.1
170.97325	0.8
171.01065	0.6
172.98933	3.1
175.00542	1.5
176.98399	3.7
178.97890	1.3
179.00105	0.5
179.01509	0.6
179.04984	0.5
180.99448	0.8
183.01086	0.9
184.98993	2.4
185.02579	2.0
186.01236	1.4
187.00542	1.9
188.98364	0.8
189.03633	1.6
191.00011	1.9
191.01543	0.6
192.99446	1.2
195.01012	1.1
196.98997	0.5
199.00481	1.1
199.02063	1.2
201.03645	2.3
207.01010	0.5
207.06494	0.9
209.02600	1.0
211.04211	1.4
213.02005	2.5
217.03189	0.9
225.01880	0.6
227.03700	2.7
229.05199	23.9
230.05618	0.5
237.05705	0.6
239.03654	1.1
239.07330	0.9
241.05197	3.1
247.06316	2.0
249.05750	1.0
252.06763	2.5
253.05087	0.9
255.06815	0.9
261.02158	0.8
265.05173	1.6
267.06750	16.5
268.07202	0.5
283.06192	2.0
285.07816	100.0
286.08151	2.2
303.08853	2.6
308.09445	13.1
308.14886	2.4
308.23172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.03402	0.7
53.03547	0.7
53.03922	2.3
55.01859	1.3
55.05504	15.2
56.96544	1.2
57.03421	1.5
57.07072	7.6
59.04980	2.1
65.03922	1.4
67.05497	25.2
68.80821	0.7
69.03432	4.8
69.07062	43.0
69.48541	6.1
70.04051	3.4
71.04975	4.7
71.08605	3.2
72.08155	1.0
72.93775	1.2
76.02213	1.3
79.05063	0.9
79.05489	17.0
81.03392	1.6
81.07048	100.0
83.04971	5.0
83.08605	9.2
84.08129	1.9
85.06528	5.2
90.94814	1.0
91.05468	12.6
93.07033	45.6
95.04967	9.5
95.08598	46.6
96.08903	1.0
97.06521	10.0
97.10164	4.2
98.97530	1.0
99.08044	2.4
99.08648	0.8
105.06371	1.3
105.07019	17.4
107.04945	1.2
107.08585	38.8
109.06502	9.0
109.10145	28.6
111.08070	21.6
111.11691	6.8
112.11207	0.8
115.05354	0.8
117.07001	1.9
119.04870	0.9
119.08569	9.2
121.06449	2.4
121.10130	21.2
121.96844	0.7
123.08051	3.5
123.11691	31.4
124.12042	0.9
125.09589	2.9
131.08527	4.0
132.95808	2.3
133.06430	0.8
133.10107	20.0
135.08046	11.2
135.11679	10.7
136.08383	0.8
137.05911	0.9
137.09589	3.3
137.13234	12.0
139.11154	11.7
139.14818	0.8
141.12752	0.8
145.10100	5.0
147.08017	1.1
147.11682	6.5
148.98853	0.7
149.09573	1.1
149.13237	7.5
151.11168	34.4
151.14764	1.3
153.12706	2.3
155.10623	0.8
159.11674	4.8
161.09573	0.8
161.13252	4.6
163.03874	2.3
163.11107	1.7
163.14789	3.4
165.12741	7.7
167.14246	0.9
169.12228	4.1
173.13231	2.1
175.11237	0.8
175.14799	3.5
177.16344	3.6
179.14378	1.0
179.17938	0.9
181.12309	0.8
187.14819	1.7
189.16327	2.5
191.17896	2.3
198.96912	3.8
201.16382	1.8
203.17934	1.1
207.06461	1.9
207.17404	1.5
215.17911	2.7
231.20969	0.9
233.18945	1.0
253.15759	1.0
261.18591	0.9
271.16919	1.3
271.24164	3.3
289.18100	2.0
289.25189	8.5
290.13867	3.2
307.09726	1.3
307.18817	1.8
307.26279	31.7
308.15067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	Crinitol
Peak:m/z	Relative Intensity
52.41622	0.8
53.03933	3.5
53.79398	0.7
55.01859	2.8
55.05504	18.4
56.96554	1.1
57.03435	4.0
57.07070	8.7
57.17317	0.8
59.04991	1.9
65.03934	1.9
67.05493	18.1
69.03419	3.1
69.07059	46.4
69.96660	5.0
70.04051	2.2
71.04987	4.7
71.08621	3.6
73.06567	0.8
79.05484	11.8
81.07045	45.6
83.04976	3.5
83.08610	22.1
85.06537	4.2
87.04466	3.0
91.05471	17.1
92.71049	0.7
93.07030	100.0
94.07355	1.0
95.04955	51.5
95.08593	44.9
97.06531	6.9
97.10155	6.2
99.08072	1.7
105.04469	1.0
105.07010	12.1
105.29063	0.8
107.08581	22.8
107.09285	1.6
109.06495	5.0
109.10141	16.7
111.08073	9.7
111.11691	2.8
117.06963	1.4
119.08571	10.9
121.06486	2.9
121.10129	25.2
123.08070	2.4
123.11695	16.6
124.12073	0.9
125.09621	2.9
125.13268	1.5
130.07816	0.9
131.02022	0.8
131.08524	5.5
133.10068	5.9
135.08047	1.2
135.11646	7.5
137.09590	0.9
137.13222	8.3
139.11122	4.2
142.17511	0.9
143.08614	1.1
145.10106	5.9
147.11670	10.2
149.09612	2.5
149.13263	14.7
151.11136	2.4
151.14835	1.6
157.10103	1.0
159.11681	8.5
161.13304	3.9
163.11148	3.2
163.14795	2.6
163.76741	0.8
165.12729	1.3
165.16316	1.1
167.10722	2.3
167.14296	7.2
173.13255	1.9
175.14833	3.4
177.12709	2.3
177.16373	3.1
179.17958	1.1
185.15361	1.9
187.14767	2.2
191.17947	2.0
195.13785	1.1
195.17348	1.6
201.16315	1.3
205.19496	1.1
209.18968	2.1
215.17975	2.3
215.21928	1.4
217.19533	1.0
231.21201	0.9
245.22639	1.3
261.25684	1.4
271.24191	6.0
289.25204	8.9
307.17276	3.6
307.26331	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	307.2628
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03939	3.8
55.01865	2.7
55.05507	32.2
55.05777	1.9
55.88219	0.9
56.95835	1.2
57.03417	5.5
57.07068	16.4
59.04990	4.0
65.03929	1.9
67.05496	28.9
69.03428	5.0
69.07059	100.0
69.89249	2.2
69.89668	4.1
71.04990	7.7
71.08617	6.4
73.06557	1.6
79.05482	21.9
81.07045	69.6
83.04956	3.6
83.08608	38.0
85.06541	5.2
85.10167	2.1
87.04458	6.7
91.05466	17.0
93.07030	89.3
95.04952	30.5
95.08594	85.2
97.06524	13.3
97.10152	12.2
99.08073	3.6
102.47349	1.0
103.19674	1.0
103.65319	1.0
105.07017	21.5
105.96372	1.0
107.04963	1.5
107.08577	39.6
109.06508	8.0
109.10143	28.2
111.08067	17.0
111.11690	6.6
115.07589	2.6
117.06977	2.3
119.08569	12.3
121.06502	4.2
121.10125	54.4
123.08057	6.1
123.10805	1.6
123.11693	26.4
125.09631	5.0
125.13257	2.4
129.07033	1.2
131.08534	7.9
133.10121	9.2
135.08029	1.6
135.11671	12.6
137.09602	2.8
137.13228	7.8
139.11172	7.9
145.10120	10.0
147.11690	8.5
149.09616	3.6
149.13249	24.6
151.11177	5.9
151.14804	1.6
153.12662	1.7
155.70323	1.0
157.10127	1.5
159.11702	13.1
161.13235	7.9
163.11162	4.0
163.14801	3.7
165.12677	1.3
165.16341	2.2
167.10672	6.7
167.14297	9.2
173.13264	3.4
175.14804	3.9
177.12750	3.5
177.16313	5.2
179.17995	1.3
181.12225	1.4
185.15411	2.1
187.14883	2.3
189.16389	3.1
191.17926	2.7
195.17334	1.8
201.16328	2.4
209.19006	4.3
215.17906	3.3
229.19441	1.5
233.18939	1.2
245.22607	4.1
261.25809	2.1
263.23706	2.0
271.24176	10.9
289.25269	6.6
307.26245	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	Crinitol
Peak:m/z	Relative Intensity
50.92157	1.7
53.03943	3.6
55.01873	3.9
55.05510	40.1
55.05777	2.6
56.96551	3.9
57.03429	6.6
57.07074	14.5
59.04992	7.2
65.03931	2.8
67.05157	3.6
67.05501	38.4
69.03418	4.9
69.07064	100.0
69.80014	10.1
70.04076	20.5
71.04984	11.8
71.08617	4.7
79.05481	32.7
79.05906	3.1
81.03407	3.2
81.07052	89.7
83.04967	4.9
83.08618	45.3
84.08120	2.1
85.06545	7.5
87.04458	5.9
91.05460	33.4
93.07040	89.8
95.04974	27.9
95.08603	85.2
97.06527	22.9
97.10159	17.1
98.21415	2.2
99.08083	4.2
103.05471	2.8
105.07026	35.7
105.07691	3.8
107.04942	5.1
107.08590	48.8
109.05319	1.9
109.06514	19.3
109.10152	30.6
109.10831	3.4
111.08067	18.4
111.11698	5.6
111.25192	2.0
115.07571	1.9
116.98606	2.4
117.07024	6.5
119.08571	28.2
121.02858	7.4
121.06508	13.9
121.10139	56.7
123.08051	15.6
123.11716	27.0
125.09595	9.9
129.07033	4.2
131.08601	12.3
133.10121	19.2
135.08061	6.2
135.11684	16.4
137.09625	7.9
137.13252	7.4
139.11171	10.3
141.09131	1.8
143.08539	3.2
145.10107	14.5
147.08057	4.0
147.11682	16.4
149.09637	7.4
149.13249	27.9
150.96902	2.0
151.11169	9.6
151.14777	2.9
157.10097	2.9
159.08028	3.5
159.11690	18.1
161.05878	2.1
161.13251	7.2
163.07564	2.6
163.11227	9.9
163.14845	5.1
165.12762	5.9
165.16374	3.2
167.09451	2.0
167.10651	9.2
167.14326	7.8
173.13208	4.6
175.14841	5.5
177.12772	5.2
177.16385	4.2
179.14288	2.5
183.17683	2.3
185.15327	1.9
189.16338	3.0
191.14317	1.9
195.13785	3.1
209.19031	4.3
215.18040	4.2
229.19514	2.8
233.15381	5.1
235.13332	2.2
239.18002	2.0
245.22597	4.8
246.04764	3.5
257.19083	3.1
261.03055	3.8
271.17075	2.2
271.24164	11.1
275.20139	14.4
289.17947	7.4
289.21765	2.8
289.25244	7.6
307.09732	3.8
307.18954	7.0
307.22668	37.4
307.26318	29.4
308.15353	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	307.263
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03942	2.8
54.56421	1.5
55.01862	3.6
55.05509	30.1
56.47314	1.8
57.03431	5.3
57.07071	15.3
59.04986	3.0
65.03932	1.6
67.05163	2.2
67.05498	24.6
69.03414	5.7
69.07065	100.0
70.04079	3.3
70.38660	1.5
71.04982	5.5
71.08615	7.5
71.40759	2.9
78.35262	1.5
79.05493	20.3
81.06570	3.9
81.07054	74.6
83.04967	5.3
83.08130	3.1
83.08616	47.4
85.06526	5.4
87.04453	5.7
91.05482	15.4
93.07038	76.8
95.04958	23.0
95.08601	80.3
95.46664	1.6
97.06526	13.9
97.10154	12.7
99.08070	2.8
105.07019	20.7
107.07864	2.0
107.08583	36.0
109.06525	4.9
109.10163	29.7
111.08083	15.5
111.11703	7.5
119.08565	13.5
121.06512	3.6
121.10140	55.6
121.11021	3.3
123.08084	7.7
123.11698	29.0
125.09627	7.0
131.08556	8.1
133.10139	11.6
135.11703	14.4
137.09586	2.9
137.13289	8.3
139.11142	8.1
145.10097	12.0
147.11728	9.6
149.09619	3.9
149.13274	26.9
151.11153	5.9
159.11691	12.0
161.13260	6.9
163.11221	2.8
163.14816	3.9
167.10637	6.0
167.14304	9.4
172.18669	1.7
173.13217	2.4
175.14828	4.2
177.12753	2.5
177.16377	5.5
179.18092	1.6
185.15385	3.5
187.14879	2.6
189.16319	3.3
191.17981	3.7
195.13780	2.4
209.19037	4.5
215.17926	2.0
217.19583	1.8
245.22733	4.8
263.23721	2.6
271.24188	13.4
289.25174	10.1
307.26294	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2627
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03940	3.0
54.04734	0.6
55.01868	4.2
55.05503	33.4
56.96556	1.0
57.03431	5.3
57.07069	16.9
59.04995	4.1
65.03941	2.4
67.05494	30.9
69.03413	5.6
69.07057	100.0
70.00372	1.1
70.00777	2.6
70.04067	2.7
70.07387	0.8
71.04979	8.8
71.08618	5.9
73.06530	0.9
76.02225	1.1
77.03911	1.3
79.05480	20.7
81.07043	79.4
83.04971	4.5
83.08607	40.8
84.70856	0.8
85.06520	6.0
85.10181	1.9
87.04447	4.5
90.94805	0.8
91.05467	18.1
93.06564	1.2
93.07029	82.0
95.04955	29.9
95.08593	82.3
96.08958	1.0
97.06513	13.3
97.10159	10.0
99.08080	3.8
101.06020	1.2
105.07018	24.3
107.04963	1.1
107.08578	41.4
109.06513	7.7
109.10139	34.4
111.08063	16.2
111.11699	8.2
113.05975	0.8
115.05408	0.8
115.07542	1.1
117.07005	2.5
119.08557	15.1
119.09351	1.3
121.06507	5.5
121.10128	53.5
123.08055	6.8
123.11694	27.1
125.09607	7.0
125.13232	1.7
127.07539	0.8
127.11163	0.9
129.07053	0.7
129.09055	1.1
131.08560	6.5
133.10115	10.5
135.08044	2.0
135.11682	13.7
137.09634	2.6
137.13257	7.0
139.11166	9.6
141.12848	0.8
143.08586	0.7
145.10106	11.8
147.11676	7.4
149.09608	4.3
149.13231	27.8
151.11128	6.0
151.14822	2.0
153.12753	0.9
157.10071	0.8
159.11670	16.2
161.13213	7.4
163.03889	0.7
163.11154	6.2
163.13617	0.8
163.14754	4.5
165.12738	2.7
165.16417	1.5
167.10666	5.0
167.14308	9.2
173.13199	3.3
175.14847	5.1
177.12697	5.2
177.16309	4.0
179.14258	3.4
179.17914	1.7
181.12245	1.3
185.13441	0.6
185.15331	2.3
187.14783	2.0
189.16420	2.6
191.14268	1.2
191.17862	3.4
195.13716	1.7
195.17422	1.4
201.16335	2.2
203.17967	1.3
205.19463	1.3
209.18958	3.5
215.17944	3.3
217.19339	1.1
219.17375	1.1
219.21057	0.8
229.19455	0.9
231.21075	1.9
233.19029	1.4
245.22626	3.6
247.24213	0.9
249.02986	0.7
261.25754	2.9
263.23734	1.3
271.24161	9.9
289.25232	9.2
303.69034	0.7
307.06094	0.9
307.26266	38.3
308.14917	0.7
323.64157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03941	3.5
55.01867	5.3
55.05505	38.2
56.96556	3.1
57.03432	7.2
57.07068	17.4
59.05000	4.7
67.05499	37.1
69.03425	6.3
69.07064	100.0
69.38171	18.9
70.04076	16.5
71.04984	7.4
71.08615	8.3
73.06551	1.9
79.05486	32.9
81.03394	1.9
81.07051	84.6
83.04985	10.6
83.08620	44.8
85.06537	6.7
86.09706	2.5
87.04449	6.3
91.05475	29.8
93.07037	87.8
93.07623	4.5
95.04962	35.6
95.08604	91.2
97.06534	21.0
97.10145	13.9
98.00311	1.7
99.08086	4.5
103.05471	2.9
105.07020	36.2
107.04965	2.1
107.08585	45.6
109.06535	9.9
109.10155	34.7
111.08075	16.7
111.11715	8.5
117.07012	8.1
119.08577	24.2
121.02812	3.2
121.06487	5.4
121.10134	58.8
123.08067	9.3
123.11693	26.2
125.09623	11.5
127.11187	2.3
127.20840	1.9
128.06253	3.4
129.07036	4.4
129.09099	2.3
130.07732	3.0
131.08563	17.4
133.10109	21.4
135.08069	4.3
135.11678	17.3
137.09641	3.8
137.13255	8.3
139.11177	10.1
141.06996	3.7
142.07777	4.2
143.08574	8.7
145.10100	19.3
147.08012	2.3
147.11697	13.6
149.09584	9.4
149.13245	31.5
151.11221	3.1
151.14774	2.7
157.10120	6.9
158.10838	2.5
159.08069	2.4
159.11713	19.3
161.09616	3.1
161.13286	8.2
163.11191	6.5
163.14783	4.5
165.12784	3.2
167.08553	2.4
167.10690	3.5
167.14310	7.8
169.10115	6.0
171.11667	5.5
173.09633	2.8
173.13274	6.9
175.11255	2.1
175.14783	4.8
177.12721	5.6
181.10138	2.6
181.32928	2.0
182.10910	2.9
183.11717	3.0
184.07352	2.0
185.15390	3.0
187.14816	3.5
189.16373	4.0
191.17932	3.5
193.10135	2.8
195.11615	3.0
197.13289	3.5
201.16467	3.5
206.10924	3.1
207.11577	3.8
209.13263	5.0
209.19048	5.2
211.14796	3.0
215.17969	6.7
221.13283	4.8
245.22643	4.9
247.14493	2.2
261.18491	6.5
261.25742	2.7
263.18005	5.3
263.23544	2.3
271.16977	2.4
271.24237	8.3
279.19809	3.1
289.18002	3.6
289.25244	10.4
297.25577	2.5
307.20905	19.6
307.26257	30.1
308.15323	5.2
311.77216	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2624
Annotation	Crinitol
Peak:m/z	Relative Intensity
52.76411	1.3
53.03931	2.8
55.01855	2.8
55.05507	22.2
56.81373	1.3
56.96563	1.6
57.03452	2.8
57.07069	9.8
59.04994	1.8
59.47723	1.3
60.97118	1.1
65.03929	2.2
67.05495	21.3
69.03411	2.8
69.07063	44.6
69.89005	6.0
70.04075	5.8
71.04983	4.8
71.08621	5.2
72.93809	1.5
79.05478	14.9
81.07047	56.6
83.04964	3.5
83.08607	25.2
85.06546	5.6
85.10172	1.8
87.04472	3.3
91.05463	19.0
93.07034	100.0
95.04958	53.5
95.08601	50.5
97.06498	8.4
97.10175	7.0
99.08076	2.3
100.67872	1.2
105.07018	19.1
107.08583	29.4
109.06516	6.6
109.10154	20.1
111.08074	16.3
111.11724	3.2
114.04139	1.3
117.06995	3.6
119.08557	14.7
121.02917	1.6
121.06510	3.0
121.10133	30.1
123.08070	3.7
123.11693	22.1
125.09651	3.1
125.13259	1.5
129.06960	1.7
131.08531	5.3
132.95779	1.9
133.10097	9.7
133.65256	1.2
135.08070	2.0
135.11720	8.1
137.09628	1.8
137.13220	9.8
139.11174	3.9
143.08514	1.6
145.02853	1.3
145.10114	7.1
147.11662	11.0
149.09653	3.7
149.13229	16.6
151.11095	2.3
151.14807	2.5
159.11652	8.0
161.13249	5.9
163.11159	2.7
163.14754	3.1
165.12820	2.4
167.10664	2.4
167.14259	9.6
173.13248	3.3
175.14804	2.6
177.12755	2.7
177.16418	2.9
185.15419	1.5
189.16373	1.9
195.13676	1.7
195.17380	2.4
215.17908	2.4
216.97935	1.6
271.24069	6.7
289.18179	3.2
289.25223	11.1
307.18640	3.2
307.26266	20.9
308.15143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01862	3.5
55.05510	12.2
57.07067	5.8
59.04988	2.2
67.05492	31.0
69.03423	2.9
69.07057	26.2
70.04060	16.9
71.59563	3.4
79.05482	18.2
81.07042	37.6
83.04974	5.8
83.08627	5.3
91.05466	24.9
93.07036	28.2
95.04948	9.5
95.08590	28.0
95.15332	1.9
97.06504	4.1
105.07008	32.2
107.04929	7.9
107.08572	15.8
108.88163	2.0
109.06501	14.7
109.10154	11.7
117.07002	9.3
119.08566	14.8
121.06533	10.2
121.10137	13.6
123.08026	6.7
123.11691	4.0
131.08572	15.8
133.06482	3.6
133.10091	17.3
135.08075	3.8
135.11671	7.2
143.08531	4.6
143.50363	2.5
145.10115	16.0
147.11682	15.9
149.09560	5.6
149.13231	5.4
151.11153	7.4
155.08607	2.1
157.10091	3.6
159.11705	7.1
161.09668	3.3
161.13278	2.2
163.11147	5.0
171.11655	3.0
173.09534	2.7
173.13243	6.5
175.11177	2.5
177.12775	3.8
185.13255	3.0
187.11250	2.5
191.14288	4.2
201.12799	4.3
207.13901	4.4
219.13780	6.2
239.17973	4.9
247.20486	4.3
257.19003	17.2
261.03064	3.1
275.05542	2.5
275.20026	100.0
276.20337	4.9
289.21619	4.7
307.22714	42.2
308.15262	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	1.4
55.01848	1.7
55.05262	1.5
55.05507	18.7
56.96549	1.9
57.03415	1.5
57.07061	3.0
59.04984	3.7
59.05243	0.8
59.72672	0.9
59.91289	0.8
65.03916	1.2
66.14140	0.9
67.05499	27.4
67.54746	1.1
69.03393	1.4
69.07056	16.1
70.04070	8.0
71.04987	9.6
71.08624	1.3
71.59769	0.8
72.13427	0.9
72.93779	1.5
73.06556	1.5
79.05055	1.8
79.05484	25.2
79.49442	1.0
81.03410	1.0
81.06571	1.6
81.07049	30.8
83.04958	3.6
83.08599	6.7
84.08112	1.1
85.02917	1.0
85.06545	4.5
87.04478	1.6
88.36767	0.9
90.94793	1.2
91.05470	33.7
93.06463	1.8
93.07034	27.6
95.04951	9.1
95.08598	24.9
95.24218	0.8
97.06525	9.3
97.10162	3.3
99.08064	1.4
103.05478	2.0
105.07024	42.8
107.04934	2.4
107.08582	20.2
109.06508	15.0
109.10143	14.2
110.07359	1.3
111.04385	1.2
111.08093	5.1
112.11232	1.0
113.09655	0.9
115.05431	1.0
116.98571	1.1
117.07016	10.7
119.08572	29.8
121.02850	5.4
121.06491	7.3
121.10143	13.9
123.08060	11.8
123.11669	5.4
125.09629	3.5
127.07505	1.5
129.07010	2.8
131.08546	12.3
133.10112	22.0
134.99713	1.4
135.08069	8.7
135.11674	5.6
137.09601	10.2
137.13281	1.7
139.11169	2.4
143.08531	2.5
145.10101	10.1
147.07988	1.5
147.11670	19.3
149.09624	5.8
149.13232	3.6
151.11169	16.5
155.08537	2.5
157.10104	2.6
159.11676	9.1
161.09650	1.3
161.13223	5.3
163.11134	10.3
165.12743	9.9
169.10075	2.3
171.11646	3.3
173.09558	1.3
173.11963	1.2
173.13248	4.6
175.14793	1.7
177.00632	0.9
177.12737	3.1
177.16351	1.1
179.14311	3.9
183.11708	2.0
185.13219	1.5
187.14816	1.7
189.12691	1.8
191.14264	1.1
197.13289	3.4
213.05307	1.4
213.16373	1.0
215.14299	1.3
229.19472	6.4
233.06113	0.9
233.19296	1.0
239.17982	10.0
240.18391	1.0
242.31131	0.9
247.20514	5.8
249.18513	2.2
257.18982	13.1
265.18195	1.3
275.20038	48.0
276.20435	1.6
285.07669	1.0
289.18103	1.9
289.21570	2.3
289.24905	1.8
307.09705	2.9
307.22672	100.0
308.22925	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	307.1759
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
60.05630	1.4
60.15737	0.3
67.22559	0.4
69.26821	3.9
72.08149	4.7
89.03894	1.8
89.10764	0.4
91.05515	0.3
97.07628	1.5
98.06034	0.6
114.10281	13.0
115.08684	3.4
117.03370	9.9
117.69489	0.3
131.12914	3.0
134.03625	0.5
135.04384	0.5
145.02827	45.5
146.03195	0.7
149.05989	3.6
157.04996	0.4
157.10785	1.1
163.03889	0.5
177.05450	100.0
178.05737	1.7
186.05469	0.4
247.14447	2.9
247.43758	0.4
248.12778	3.7
265.15472	1.1
290.14935	7.4
291.15317	0.4
307.17606	57.4
308.17853	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
51.21309	0.8
51.59080	0.7
52.78326	0.7
55.01864	6.5
55.05506	12.0
57.07048	1.3
65.03928	1.4
67.05165	1.0
67.05497	13.3
69.03403	1.2
69.07058	15.0
70.04066	2.7
71.04985	3.0
71.08621	1.1
79.05490	7.3
81.07047	22.6
83.04962	2.3
83.08610	4.4
83.82981	0.9
85.06525	1.8
91.05463	5.3
93.07036	13.3
95.04958	9.2
95.08045	1.1
95.08603	14.5
97.06514	8.6
97.10175	3.0
98.06138	0.7
105.07017	9.1
105.33337	0.7
107.08590	7.8
109.06504	100.0
109.10127	5.3
110.06864	1.2
111.04405	0.9
111.08099	1.0
117.07012	2.0
119.08578	7.4
121.06482	5.5
121.10137	5.8
123.08045	6.5
123.11692	2.1
131.08577	4.3
133.06557	0.8
133.10112	5.2
135.08064	3.9
135.11636	1.3
137.09587	2.6
137.13168	1.2
139.11169	1.7
145.10121	4.4
147.11691	3.7
149.09634	4.0
151.11218	1.0
157.10101	1.0
157.12257	0.8
159.11670	2.1
161.13275	2.0
163.11183	4.1
163.14801	1.2
165.12793	5.7
171.11649	1.1
173.13232	3.7
175.11179	1.2
177.12686	0.8
187.14687	1.2
191.14311	2.5
197.13264	1.4
219.17404	0.9
233.15297	1.6
247.20518	0.8
251.16405	24.4
252.03128	0.8
260.15799	0.8
261.22028	1.4
265.18134	1.2
271.20465	1.2
289.18552	0.7
289.21619	13.4
290.21820	0.7
291.23022	1.5
307.22635	90.2
308.22910	3.9
308.26169	1.3
329.02139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.176
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
51.02361	0.5
60.05639	4.6
69.87262	1.8
70.48988	0.4
72.08143	10.5
85.42751	0.4
89.03893	3.2
97.07638	1.6
98.06029	0.4
98.20802	0.6
114.10278	19.2
115.08653	2.1
117.03362	14.7
118.03703	0.4
130.06500	2.3
131.12906	7.3
132.04370	0.5
134.03590	0.8
135.04384	1.1
145.02821	59.4
149.05959	5.2
157.07614	1.7
157.10815	1.7
158.06049	2.7
175.08694	0.7
177.05443	100.0
178.05736	2.4
186.05479	0.5
247.14328	1.8
248.12711	3.1
261.08575	0.6
265.15448	0.8
290.14954	9.2
307.17590	62.5
308.18100	1.7
309.21924	0.4
320.73233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53907	4.3
55.01872	9.8
55.05497	8.6
57.03429	13.4
62.65026	4.3
66.48257	4.5
67.05476	15.5
69.03429	61.0
69.07054	4.6
69.37192	23.5
69.37628	17.1
70.03751	13.1
70.54461	4.2
71.01334	6.1
71.03835	5.8
71.04981	7.7
73.02885	9.5
74.93761	5.3
79.05490	7.5
81.03387	5.7
81.07046	13.0
83.04951	16.0
84.08134	14.0
85.02886	20.1
91.05476	29.5
93.07066	8.5
95.04942	20.1
95.08566	10.2
95.19276	4.4
95.87390	4.5
99.04434	11.9
100.81393	5.0
103.05453	46.6
105.07026	23.8
107.04929	13.2
111.04459	24.0
112.11222	7.7
113.06007	7.9
115.05431	39.5
117.07022	36.8
119.04929	16.0
119.08575	17.0
121.02825	7.8
121.06499	6.6
122.03682	5.5
124.07566	25.5
128.06235	10.8
129.05479	5.6
129.06993	22.6
131.04921	70.0
131.08527	7.9
133.02777	5.9
133.06525	13.6
136.07578	15.0
137.05972	100.0
138.06281	5.0
138.09132	7.2
141.06950	24.9
143.04933	12.8
144.05678	13.0
145.02824	17.7
145.06461	48.9
146.03622	12.3
147.04404	52.1
147.11678	8.4
148.05171	8.8
149.05980	27.5
151.03876	32.4
151.04938	5.9
151.07529	43.4
155.08560	10.6
157.06456	21.0
158.06059	4.8
158.07285	10.8
159.04414	14.7
159.08029	9.1
160.05202	24.0
161.05943	43.6
162.06737	9.4
163.03813	5.9
163.07536	88.2
164.07028	17.5
165.05478	6.2
165.06947	5.1
165.09113	26.1
166.07593	6.9
169.06444	24.9
171.04480	5.5
171.07933	9.7
172.05153	9.6
173.05943	18.5
174.06776	16.8
175.04008	11.3
175.07516	64.3
176.04663	8.7
177.05463	81.2
177.09077	28.2
178.06184	6.8
179.07016	30.9
181.08661	7.7
183.08009	11.2
184.05330	5.4
185.05922	11.6
186.06625	8.9
187.07509	33.4
189.05426	15.6
189.09081	26.6
190.06270	9.0
191.06981	52.1
193.08606	16.6
195.06470	5.3
197.05957	21.0
199.07550	6.0
200.08334	7.8
201.05521	5.8
201.09041	32.4
203.06973	24.1
204.07874	5.9
205.04955	29.5
205.08578	22.9
207.06482	16.8
211.07552	17.4
213.05508	5.4
215.06984	11.8
215.10728	13.8
217.08604	18.2
219.08171	7.5
219.10144	12.5
228.07782	8.4
229.08527	40.8
233.08002	15.8
243.10178	22.2
245.08057	11.0
247.07338	9.1
247.09720	12.8
249.05347	9.2
259.09802	6.3
261.11160	10.7
271.09604	14.8
289.10580	11.9
290.13818	13.0
292.07233	14.0
307.12045	67.9
307.14786	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	307.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84589	2.4
62.21363	2.3
64.11075	2.9
69.57462	16.1
81.08910	2.6
98.20804	5.8
115.35133	2.5
156.23358	2.3
243.08380	6.8
290.13992	3.4
307.10260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07882	1.7
55.80145	1.5
64.69659	1.5
70.29951	5.7
98.21075	3.8
134.55550	1.6
158.66380	1.7
173.68672	1.7
189.84676	1.6
243.08406	4.6
307.10318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86553	1.6
53.00024	1.6
54.54638	1.7
55.01861	4.9
55.05505	6.3
57.03431	4.8
61.73447	1.5
65.03917	1.9
67.05491	3.9
69.03429	11.8
69.07069	1.9
69.72057	3.6
69.72476	7.0
71.01357	2.6
71.04993	2.6
72.86355	1.5
72.93790	8.2
73.02909	2.7
74.20393	1.7
74.29154	1.8
75.15073	1.6
76.02230	5.9
79.05495	5.7
81.07066	2.6
83.04980	6.4
84.04541	2.1
84.08132	3.7
85.02902	7.8
87.04507	1.5
87.05583	6.7
89.03922	2.3
90.94824	7.1
91.05474	30.3
93.07047	8.4
95.04955	7.8
97.02943	2.3
98.06076	3.9
99.04458	4.0
101.02367	1.7
103.05444	19.3
105.07020	28.9
105.07668	2.4
107.04948	5.0
107.08599	1.8
108.95843	2.8
109.10168	1.7
110.95293	2.3
111.04456	5.5
113.05977	4.8
115.05441	15.8
117.03353	3.6
117.07011	22.1
119.04931	28.1
119.08577	100.0
121.06539	3.1
122.03702	1.9
124.07558	2.5
128.06241	2.5
129.05499	3.3
129.07001	7.7
130.06506	5.3
131.04912	30.9
131.08591	5.2
133.06377	3.7
136.07568	1.9
137.05977	28.4
141.06975	10.0
142.97932	1.9
143.04907	6.2
144.05672	3.6
145.02852	6.9
145.06488	17.1
146.03622	4.4
147.04404	76.0
147.11682	43.9
147.12781	3.1
148.05179	2.5
149.05983	13.0
151.03960	3.6
151.07552	14.9
155.08569	4.9
157.05214	1.5
157.06509	7.7
157.07649	2.7
158.06013	4.5
158.07248	2.2
159.04384	5.3
159.08081	5.1
160.05157	11.8
161.05965	12.4
162.06821	2.3
163.03946	3.5
163.07530	38.8
163.08777	3.6
165.09117	11.6
167.07019	1.9
169.06476	12.1
171.04404	2.9
171.08107	2.2
172.05241	4.1
173.02596	1.7
173.06001	5.6
174.06798	5.6
175.03944	5.0
175.07495	21.2
175.11183	22.0
176.04735	2.9
177.05449	30.4
177.06853	2.4
177.09019	9.7
178.06161	4.7
179.04832	3.7
179.07088	10.0
183.08098	6.1
185.05949	3.5
186.06773	3.3
187.07518	16.9
187.76324	1.7
189.05452	4.8
189.09190	9.7
190.06238	3.1
191.03424	4.4
191.07025	19.9
191.10747	2.3
193.08594	8.4
195.06532	2.4
196.06082	9.8
197.05962	7.4
199.07518	2.1
201.09073	13.0
203.06961	11.9
204.07784	2.0
205.04840	1.8
205.08607	8.7
207.06520	7.0
211.07497	6.2
212.94872	1.9
213.08946	2.7
215.07053	4.7
215.10666	6.2
217.08580	5.4
219.02910	5.8
219.10141	4.2
221.08018	2.8
221.98547	2.8
225.09180	3.6
229.08592	22.9
230.95964	5.5
233.06091	1.8
233.08060	9.9
239.99477	4.0
243.10210	6.4
244.13519	3.4
247.02412	3.4
247.09665	5.5
261.11331	3.0
262.14401	4.1
265.97659	3.6
271.09622	4.6
283.98489	11.3
286.06918	1.9
289.10867	5.0
290.13815	18.0
307.04269	2.3
307.11853	15.8
307.17340	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	306.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01859	4.9
55.05509	9.8
57.03410	2.5
57.07082	8.3
67.05496	18.2
69.03384	2.0
69.07060	13.7
70.84538	2.1
70.84872	2.7
71.08634	13.8
71.70493	1.5
72.08139	1.6
79.05482	11.2
81.07045	26.7
83.04972	2.5
83.08595	3.4
85.06518	3.7
86.06039	2.0
91.05476	11.0
93.07023	23.4
94.04156	2.8
95.04961	21.4
95.08596	36.5
97.06504	8.8
97.10133	2.7
99.08109	9.6
99.08647	1.8
100.07556	1.9
105.07014	13.3
107.08587	16.3
109.06502	35.9
109.10152	10.7
111.08005	2.5
117.07029	2.5
119.08568	9.4
119.48923	1.4
121.06510	8.9
121.10113	6.9
122.03613	6.0
123.08014	3.8
123.11649	2.1
125.09638	1.7
126.16706	1.6
129.06993	2.3
131.08548	8.1
133.10162	9.8
135.08020	6.6
135.11687	2.0
137.05963	90.3
137.09621	8.8
137.10544	1.6
137.13354	2.1
138.12801	1.8
145.10103	5.3
147.07922	1.9
147.11665	5.0
149.09608	3.5
149.13196	3.5
153.12691	2.4
154.12236	5.4
159.11586	3.1
161.13235	1.8
163.11154	7.0
163.14839	2.5
164.97742	1.8
165.12735	100.0
166.13103	2.1
169.29100	1.6
173.13202	8.6
175.11122	7.4
177.12694	2.6
179.14372	2.8
182.15475	1.8
184.13310	4.9
187.14847	3.2
191.14288	18.8
192.13817	2.4
201.12746	2.4
205.15852	2.4
208.16949	3.3
215.14326	1.7
221.15318	2.1
233.15269	1.7
243.20724	2.1
250.18024	2.5
253.19548	2.2
261.22034	7.7
271.20514	6.9
288.23102	2.6
289.21594	69.5
290.21832	3.3
306.20715	3.0
306.24225	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	4.6
55.01863	5.1
55.05499	13.8
56.96554	35.3
57.03411	6.3
57.07067	3.8
61.16382	3.5
62.53028	3.3
67.05492	19.0
69.03409	4.1
69.07063	25.8
69.69833	5.2
69.70242	17.7
70.98118	3.6
71.04980	7.3
71.08623	3.3
79.05488	21.5
81.07037	51.7
83.04955	3.6
83.08590	11.6
85.06548	5.9
91.05449	28.4
93.06456	7.1
93.07027	100.0
93.07621	4.9
94.07354	3.9
95.04984	16.9
95.08592	39.9
97.06503	4.0
97.10101	4.6
98.20774	3.7
98.97579	5.3
99.14788	3.5
105.07018	18.1
107.08582	19.5
109.06480	8.9
109.10141	23.6
111.08080	41.0
116.71828	3.3
116.98593	7.9
119.08561	11.8
121.02850	9.2
121.06480	33.6
121.10100	16.6
123.11698	27.5
127.03915	4.3
131.08585	4.3
132.95848	3.7
133.10092	9.4
134.99612	5.2
135.11731	8.6
137.09622	5.2
137.13245	7.5
145.10104	3.7
147.11668	5.3
149.05959	7.1
149.09732	3.3
149.13235	10.0
151.11075	4.9
153.09134	9.0
159.08069	6.5
159.16347	3.6
161.13118	3.2
163.07547	4.7
163.11197	4.3
177.00775	4.5
177.05486	4.5
181.08615	7.6
191.18033	3.8
194.99619	5.7
213.00751	4.9
213.05363	5.0
214.03915	4.1
215.17905	3.2
222.25693	3.1
222.99117	6.9
223.04387	26.0
228.03592	4.0
232.97539	4.0
234.55154	10.0
237.04095	39.9
237.54378	5.8
241.00197	5.1
245.04178	3.5
246.04659	74.4
246.54805	9.8
248.54886	8.4
250.98598	55.2
253.05492	9.6
254.04257	3.3
255.05176	21.7
257.55444	25.1
259.03589	10.3
261.03061	5.0
263.01843	9.7
266.04376	11.8
268.03961	6.5
268.99643	30.0
271.24240	3.9
274.00293	4.0
278.97940	3.7
289.18280	4.1
289.25208	12.4
296.99088	10.9
307.00504	3.8
307.09467	5.9
307.18954	3.9
307.23123	4.1
307.26367	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	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59957	0.3
67.05501	0.6
69.07053	1.5
71.20824	0.9
71.21164	0.5
81.07053	1.0
85.54395	0.4
94.04187	3.2
95.08628	0.5
97.06523	0.5
100.99491	0.4
107.08600	0.7
109.10157	1.0
111.40822	0.4
114.09153	0.8
122.03648	6.4
133.10136	0.6
135.11658	1.3
137.05974	100.0
138.06326	0.9
153.12727	1.0
170.15446	2.4
182.15431	2.4
306.20602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03934	7.8
53.68443	3.0
55.05505	16.6
57.07072	4.3
67.05499	34.0
69.07064	16.8
71.04950	3.7
71.59385	2.6
71.59776	2.8
75.02730	2.2
79.05054	5.0
79.05489	70.3
81.05873	2.3
81.07056	43.5
83.04996	3.1
83.08613	9.9
91.05466	26.3
93.06470	5.4
93.07040	100.0
95.04950	9.8
95.08598	31.8
105.07033	14.0
107.08593	52.9
109.10136	12.8
114.02457	2.6
117.07006	4.2
119.08562	8.0
121.10138	39.4
131.08574	6.0
133.10110	7.8
135.10678	3.5
135.11693	46.3
137.05971	6.4
145.10106	4.2
147.11699	4.9
149.13232	26.1
157.10193	3.0
163.14792	10.0
173.13213	3.4
185.68752	2.3
187.14882	3.0
187.98613	2.4
263.20126	2.7
268.69156	2.4
305.21060	18.1
305.24722	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03929	4.0
55.01846	3.3
55.05268	1.9
55.05507	29.3
57.03421	5.0
57.07074	10.3
59.04985	4.3
65.03911	2.3
67.05495	34.0
69.03416	8.5
69.07061	75.0
69.88936	10.9
71.04982	9.0
71.08596	3.8
79.05054	2.9
79.05485	35.7
80.37193	1.7
81.07050	87.6
82.53819	1.8
83.04982	8.2
83.08601	11.6
85.06522	5.0
91.05464	26.9
93.07030	95.5
95.04956	32.2
95.08595	100.0
97.06526	9.2
97.10165	8.7
99.08069	6.2
105.07015	36.8
107.08582	42.4
109.06509	14.6
109.10145	31.7
111.08046	7.2
111.11678	7.7
117.06965	2.2
119.08571	23.4
121.06452	3.3
121.10130	58.1
123.07284	1.6
123.08048	8.9
123.10816	1.9
123.11703	29.6
125.09579	4.6
129.07050	1.7
131.08517	9.6
133.10109	18.1
133.35550	1.8
135.08032	5.8
135.11679	14.3
137.09596	7.3
137.13237	8.4
139.11166	19.1
142.07751	2.6
143.08551	5.1
144.09389	1.7
145.10095	9.1
147.11644	18.4
149.09608	9.7
149.13260	11.2
150.47079	1.7
151.07442	1.9
151.11168	7.6
153.01753	3.8
153.12726	2.2
157.10095	6.9
159.11684	10.3
161.09624	3.6
161.13191	8.4
163.11140	5.9
163.14786	5.0
165.12750	9.8
167.09297	2.9
167.10664	35.1
167.14334	2.9
171.11664	1.7
173.13257	6.1
175.11169	5.9
175.14803	5.8
177.16376	4.9
179.10619	2.6
179.14197	2.5
185.13275	2.6
187.14778	5.9
189.16426	4.2
191.14397	1.7
193.12172	1.9
193.15862	4.8
195.13731	3.3
199.14699	3.6
201.16370	3.9
203.17903	3.9
205.15848	4.4
207.17348	2.2
213.16336	2.6
214.57854	1.8
233.18738	2.1
243.21085	2.7
259.24258	2.4
261.02853	1.7
261.22055	5.6
269.22598	6.6
287.23691	18.7
305.05463	2.3
305.24710	87.4
306.25327	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	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.02328	2.0
53.03947	4.0
55.01859	2.7
55.05507	26.1
57.03418	7.3
57.07074	9.8
59.04971	3.3
65.03938	2.8
67.05164	2.3
67.05494	32.0
67.45732	1.5
69.03415	5.8
69.07059	62.7
70.06580	4.3
70.17390	4.3
70.17802	3.0
71.04983	8.9
71.08611	3.6
79.05488	29.8
81.07047	93.8
82.07368	1.7
83.04978	12.5
83.08614	13.5
85.06538	3.5
85.76052	1.7
88.07631	2.4
88.32442	2.1
91.05468	24.3
93.07034	100.0
95.04354	3.0
95.04959	53.3
95.08595	89.1
97.06509	8.6
97.10139	6.4
99.08086	4.9
105.07021	37.8
107.04877	1.6
107.08583	44.0
109.06493	11.5
109.10139	33.3
111.08032	5.9
111.11686	8.0
113.06776	1.5
117.06979	3.1
119.08568	23.0
121.06521	2.4
121.10132	58.2
121.11018	3.0
123.08046	7.0
123.11689	29.5
125.09605	4.8
129.06946	1.7
131.08531	10.8
133.10118	18.9
135.08029	4.7
135.11693	14.4
137.09610	9.0
137.13210	10.0
139.11151	20.2
142.07712	1.7
143.08521	3.2
145.10103	10.8
146.11754	2.5
147.07980	2.0
147.11679	18.1
149.09613	9.2
149.13257	8.6
151.07529	3.1
151.11153	6.7
153.01764	2.0
153.12715	5.2
157.10089	5.2
159.11700	9.2
161.09615	2.7
161.13239	6.8
163.11177	6.2
163.14793	3.5
165.12733	10.0
167.10677	27.6
171.11681	4.0
173.13223	6.4
175.11206	3.8
175.14798	5.9
177.16354	4.3
179.10623	3.0
181.08571	1.8
181.12253	2.3
181.49821	1.5
185.13196	2.7
187.14821	4.6
189.12733	1.5
189.16315	5.8
191.14148	1.9
193.15849	4.4
198.75587	1.6
199.14842	5.1
201.16396	3.3
203.18040	1.9
205.15805	3.6
207.17438	3.5
213.16339	5.4
215.18051	2.0
217.15878	2.2
227.17853	2.1
229.19542	2.5
244.22687	5.6
245.04962	1.6
248.34799	1.7
259.24191	2.8
261.22125	5.2
269.22659	7.0
270.11276	1.8
271.38382	1.7
283.06262	9.7
287.23630	17.9
288.12228	2.1
305.24704	74.3
306.26407	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27708	0.3
53.03943	1.0
54.39991	0.3
65.03943	0.6
67.05502	1.2
69.07070	0.6
70.58488	1.1
75.60258	0.3
77.03907	0.4
79.05489	1.2
81.07059	1.5
83.04966	0.3
91.05477	3.0
93.05804	0.5
93.07018	2.8
94.06580	1.0
95.04971	1.9
95.08588	0.8
96.08150	0.7
105.04507	0.4
105.07032	0.4
107.08611	0.5
108.08114	2.3
109.10154	0.5
111.00805	0.4
119.08635	0.4
122.06015	4.0
123.08078	0.4
123.41856	0.4
124.07580	9.2
126.05479	1.3
126.09121	0.5
133.02855	1.1
136.07565	100.0
137.07916	1.0
139.03848	0.4
140.07051	1.4
145.02861	0.5
150.05501	0.5
152.07053	15.3
153.01787	2.9
162.05508	0.4
164.07053	70.0
165.07405	0.8
166.08586	0.3
170.08116	4.2
177.05409	0.5
179.03401	1.5
182.08115	13.7
198.98988	0.5
199.71283	0.4
217.01488	0.4
217.58820	0.3
226.98564	1.3
242.11633	0.6
273.15323	0.3
277.02255	0.9
287.13907	3.8
305.06424	1.7
305.14941	1.0
305.24579	0.5
314.47705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.59325	1.3
53.03929	4.6
53.07759	1.3
55.05256	2.2
55.05502	29.1
56.26247	1.4
56.96540	1.7
57.03429	7.8
57.07076	11.9
59.04979	3.2
65.03917	2.1
65.78573	1.4
67.05164	2.3
67.05493	33.8
69.03414	9.3
69.07059	70.8
69.87524	6.1
71.04997	9.2
71.08619	3.8
79.05483	25.7
81.07045	85.0
83.04970	10.5
83.08609	15.7
85.06535	4.7
91.05471	24.5
93.07030	83.5
93.07522	1.5
95.04958	22.1
95.08595	100.0
97.06496	11.4
97.10143	8.8
98.28375	1.6
99.08071	5.6
103.05431	2.0
105.07024	34.0
107.08580	40.9
109.06503	11.6
109.10143	29.5
109.10830	3.1
111.08057	4.5
111.11704	6.4
115.05423	1.9
117.06998	4.6
119.08561	23.3
121.06472	4.2
121.10126	62.4
123.08076	9.9
123.11694	26.6
125.09596	2.8
126.09145	2.2
129.06998	3.0
131.08534	11.0
133.10126	17.8
134.63158	1.5
135.08015	4.4
135.11678	11.1
137.09589	6.4
137.13243	9.2
139.11151	22.8
141.12738	1.4
143.08566	3.4
145.10098	8.8
147.11667	13.8
149.09612	12.0
149.13252	10.8
151.11179	6.1
151.14796	1.5
153.12665	3.1
155.14346	1.6
157.10089	5.8
159.11641	10.1
161.09584	6.1
161.13258	7.2
162.05502	2.0
163.11159	4.4
163.14830	3.2
165.12755	10.4
166.08705	1.5
167.10646	36.5
167.12071	2.0
171.11697	3.9
171.61853	1.7
173.13252	5.7
175.11171	5.1
175.14795	4.9
177.12701	4.8
177.16388	4.1
179.10579	3.6
183.26129	1.5
185.13206	2.6
187.14767	2.6
189.16379	3.2
191.14526	1.9
193.12245	3.0
193.15878	6.6
199.14786	2.8
203.17896	2.1
205.15811	4.5
207.17354	3.0
213.16342	3.6
219.17480	1.7
227.17928	2.1
231.17522	1.7
243.21042	1.9
244.13258	1.6
247.20531	1.7
259.24289	3.1
261.22086	4.5
265.05267	1.9
269.12827	1.9
269.22522	8.0
270.11493	2.3
283.06250	6.2
287.13788	6.7
287.23624	16.4
305.05444	1.7
305.24695	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87024	0.3
52.50545	0.2
53.03938	1.2
53.32156	0.2
55.05508	0.3
56.96569	0.6
58.00634	0.2
65.03944	0.3
67.01855	0.5
67.05497	1.8
68.99762	0.4
69.03424	0.6
69.07061	0.7
71.59721	0.5
77.03923	0.6
79.05457	0.5
81.07050	2.1
84.08166	0.4
91.05477	4.1
93.05797	0.4
93.07030	3.6
94.06595	1.3
95.04966	2.8
95.08576	0.8
96.04556	0.3
96.08127	0.8
97.02872	0.4
97.06509	0.7
105.03355	0.4
105.06995	0.3
107.08575	0.6
108.08127	2.3
109.06519	0.4
109.10146	0.4
111.00757	0.9
119.08564	0.5
121.10133	0.6
122.06024	4.6
123.04379	0.4
124.07574	10.3
126.05534	1.5
126.09207	1.4
127.03828	0.4
133.02846	3.5
133.10062	0.3
135.11621	0.5
136.07561	100.0
137.07845	0.7
138.09114	0.9
139.03857	0.5
140.07047	1.3
145.02768	0.4
150.05507	0.6
151.03870	0.6
152.07051	19.2
153.01820	7.1
154.02071	0.3
161.02341	1.2
162.05466	1.1
164.07048	80.3
165.07349	0.9
166.08606	0.7
170.08127	3.5
171.02872	0.9
173.09454	0.3
175.03906	0.4
177.05450	1.0
179.03369	6.9
180.06502	0.4
182.08110	15.1
184.09702	0.4
189.01804	0.3
203.03334	0.9
226.98587	2.3
234.11066	0.4
242.11603	0.4
244.99773	0.5
245.04718	0.4
259.01270	1.0
269.12662	0.6
277.02319	1.0
287.05380	0.9
287.13855	4.9
305.02887	0.5
305.06384	3.9
305.14890	1.4
305.24744	0.7
323.03983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02461	0.2
55.05498	0.5
56.96564	0.3
60.04512	1.2
67.05485	1.0
69.07067	1.6
70.23768	0.3
71.58469	0.3
71.58827	0.3
76.88737	0.3
79.05480	0.6
81.03395	0.3
81.07045	2.3
83.08586	0.4
88.03477	0.4
88.03987	6.6
91.05481	0.7
93.07026	1.1
95.04945	1.1
95.08591	1.4
97.06513	0.4
102.05531	10.8
103.05435	0.9
103.28297	0.2
105.03413	0.2
105.07017	0.6
107.08575	0.8
109.06508	0.4
109.10144	0.8
119.08571	0.8
121.10135	0.9
123.08006	0.4
123.11671	0.7
124.07568	0.6
130.06511	100.0
131.06859	1.9
131.08496	0.3
133.02853	0.7
133.10056	0.6
135.11697	0.4
145.10069	0.4
147.11682	0.4
148.06024	14.4
149.09697	0.3
149.13228	0.3
153.01791	0.8
154.06509	1.2
156.08089	0.3
159.11681	0.4
161.02356	1.1
164.07016	1.7
165.12697	0.4
176.07101	0.3
177.05540	0.7
182.06039	2.5
184.07593	0.8
185.07098	0.6
189.01842	1.6
190.02419	0.3
199.08665	4.6
201.01857	0.3
213.16132	0.3
214.08655	0.6
217.01302	1.2
218.01927	0.3
221.04387	0.6
227.08078	1.8
228.06685	0.3
242.08023	0.4
245.00790	1.8
245.09283	1.1
246.01697	0.4
249.03838	0.4
259.10715	1.5
261.03976	0.8
263.01843	1.0
269.12680	0.3
273.00189	1.3
273.08667	0.6
277.03369	2.0
287.10550	0.4
287.13782	1.2
287.23557	0.4
305.02679	0.9
305.05554	3.2
305.11313	1.0
305.14969	0.7
305.24759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28245	0.6
70.97006	1.6
79.28234	0.7
89.21651	0.6
96.01292	0.6
149.94484	0.6
237.90462	0.7
275.11960	0.6
305.12024	100.0
306.12442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1381
Annotation	Arteglasin A
Peak:m/z	Relative Intensity
52.02718	0.5
53.03942	0.7
55.05504	0.7
60.08566	0.5
69.03421	100.0
69.31860	4.4
69.32278	1.5
71.05000	0.9
72.99345	0.6
79.05497	1.0
81.07055	1.0
88.40777	0.5
91.05477	2.3
93.07035	1.4
95.04941	2.7
95.63305	0.5
99.04489	0.6
103.05505	0.6
105.07040	2.1
107.04950	2.2
113.06031	0.6
115.05453	1.4
117.07021	1.9
119.08621	0.9
122.05999	1.3
123.04414	1.0
124.07601	4.0
125.43373	0.7
128.06207	1.3
129.06978	2.2
131.04944	0.8
131.08543	1.3
132.05725	0.6
133.06520	1.4
136.07562	45.4
137.02350	0.7
141.06998	0.9
141.32297	0.7
142.07788	0.6
143.08601	1.5
144.09277	0.6
145.06470	3.0
147.08028	2.2
151.61662	0.6
152.07037	8.2
153.01813	1.9
156.09317	0.6
157.06508	1.6
157.10146	0.8
158.07228	0.8
159.07991	1.2
161.05927	1.0
162.06734	0.8
163.07556	1.3
164.07051	33.3
167.07024	6.9
167.08556	1.5
168.07780	1.3
170.08113	2.2
171.08061	2.0
173.05989	1.1
174.06732	0.6
175.07547	3.1
176.14368	0.7
177.05447	1.2
181.06573	0.8
181.08586	1.8
182.08128	5.4
183.08101	0.8
184.08861	1.2
185.09621	1.2
187.07466	2.0
188.08276	0.7
189.09036	2.4
191.07085	0.7
192.07787	1.1
193.08568	1.7
194.09314	0.9
195.06371	1.1
195.08022	0.9
195.10207	0.8
196.10974	2.2
197.06000	1.3
197.09573	0.8
198.06699	0.8
199.07477	1.1
199.11128	1.0
201.05574	0.6
201.09044	2.0
203.07039	1.8
203.10545	1.1
204.07809	0.7
205.08604	2.9
206.09389	0.7
207.06512	1.2
207.10161	3.4
208.07143	0.8
209.09642	1.2
211.07483	1.5
212.08240	2.7
213.09058	1.1
215.07031	1.2
217.01228	1.1
217.08607	1.8
217.12234	0.8
219.10172	1.3
221.11639	0.9
223.07590	1.2
223.09552	5.4
227.07056	0.7
227.10594	5.1
229.08582	1.2
230.09351	0.6
231.06306	0.7
231.10106	2.2
233.08031	0.9
233.11652	1.1
234.08707	0.8
235.02312	1.1
235.09554	2.0
235.13181	1.5
241.08607	0.7
243.06787	0.6
245.11664	2.5
247.09804	1.0
247.13129	0.7
249.11272	1.1
255.10085	2.8
257.07968	0.7
259.13235	3.8
261.11176	1.0
263.09283	0.7
263.12741	3.8
272.10251	0.7
273.11176	1.0
277.10681	1.7
277.14108	0.6
287.12723	4.6
305.05603	14.0
305.13776	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.52557	0.7
55.01863	0.8
61.44200	0.7
65.03929	3.3
67.01859	1.0
67.05485	2.7
68.99775	3.4
69.03413	3.0
70.11946	3.0
79.01862	0.9
79.05493	0.8
81.07067	0.9
83.01357	0.7
85.02903	1.0
89.03947	1.1
90.36154	0.7
91.05479	1.1
93.03391	1.1
95.04965	4.3
97.02873	2.2
97.69102	0.7
97.95875	0.8
98.06026	0.7
105.03375	2.8
109.02852	1.1
111.04424	5.9
116.98574	0.9
121.02859	14.1
123.04420	68.7
124.04761	1.0
127.03893	2.1
128.06198	0.9
129.06964	1.4
130.34616	0.7
130.45836	0.6
131.04919	1.0
133.02832	3.2
133.06470	0.9
135.04430	3.6
136.07565	1.3
137.02356	2.0
137.05887	0.7
139.03879	5.7
141.06863	0.8
145.02815	1.0
147.04361	1.6
149.02333	71.9
150.03101	1.6
151.03853	2.5
153.01817	100.0
154.02284	1.5
157.06490	6.6
161.02301	6.1
161.05931	1.0
163.07541	1.2
167.03395	12.2
167.04721	1.2
171.02934	0.9
175.03952	0.8
175.07547	3.0
177.05429	1.7
179.03409	3.3
185.05940	9.8
189.01855	2.1
195.02887	16.3
203.03369	1.9
203.07103	0.9
213.05420	14.5
217.01285	4.4
217.04961	1.0
231.06499	50.1
232.06990	1.0
241.04935	6.2
241.13437	1.6
245.00792	1.2
249.03891	2.2
258.05219	2.4
259.05994	55.0
259.14453	2.0
260.06424	1.1
269.12787	2.5
273.00156	1.0
287.05472	16.2
287.13895	3.8
305.02576	2.8
305.06442	7.8
305.15186	1.8
305.18536	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76880	0.6
53.03939	0.6
53.35110	0.6
54.22743	0.6
56.04782	1.0
56.05029	11.4
57.03426	1.3
58.06586	4.2
61.02927	5.3
68.05014	2.7
69.03429	1.2
70.06588	13.5
70.64593	1.4
70.64929	0.7
72.08128	2.2
73.02908	1.6
74.02420	0.7
74.06043	1.9
81.04534	0.7
82.06549	1.4
84.04493	1.7
84.08126	2.6
85.02899	4.4
85.07669	3.7
86.06057	16.1
86.09695	1.1
88.03973	1.5
96.04491	1.2
96.08089	0.7
97.02882	1.4
98.09663	1.1
98.97542	1.0
100.03970	5.1
101.07201	0.5
102.05523	7.5
111.09185	1.8
113.02323	0.8
113.07079	0.7
114.05519	48.1
114.09146	0.9
115.05813	0.6
116.98602	0.8
119.01894	2.0
124.07578	5.2
125.07177	0.8
126.06380	0.6
127.03928	1.3
127.08642	0.9
128.07047	2.4
129.06587	3.9
130.04977	2.1
131.01862	0.9
133.03395	0.6
139.08658	1.4
141.01111	0.8
141.10216	10.5
142.05595	0.6
142.08641	5.9
145.04909	0.8
145.09720	2.5
146.99585	0.6
149.02885	0.7
151.08672	1.4
155.01857	0.7
157.06143	1.0
157.09727	5.7
159.11272	1.1
165.10342	0.6
168.06538	0.6
168.11263	3.3
169.03444	0.6
169.09750	0.9
170.12854	0.9
173.02875	1.4
175.03374	0.9
183.05013	0.6
184.04079	1.0
185.09198	100.0
186.07602	5.1
186.09323	1.3
187.00778	1.1
192.05513	1.2
196.10818	3.5
201.35118	0.6
202.02263	0.8
203.10207	3.5
205.04536	1.5
214.11833	2.1
215.00461	1.3
215.10295	2.1
230.01727	1.0
240.13452	4.3
247.02992	1.2
248.02681	0.8
258.01187	1.5
258.14450	2.2
259.03049	0.8
268.12943	2.6
276.02222	0.6
286.00485	0.8
286.13943	44.2
287.14233	0.8
304.01700	6.6
304.10812	7.9
304.14975	9.0
305.02075	0.9
305.12018	18.0
306.30365	0.6
323.00977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40937	1.0
56.96558	46.1
67.05494	1.4
67.25083	1.0
69.03377	0.8
69.64040	0.9
70.06586	0.9
71.26364	0.9
71.59792	1.4
71.60153	0.8
71.95251	3.0
72.96017	1.2
74.97581	1.2
79.05466	1.1
79.43633	0.8
81.07053	1.1
84.96036	1.2
92.98663	2.0
93.07031	1.2
95.08672	1.0
98.97585	1.5
102.45882	1.0
105.07034	1.3
107.08591	1.4
116.98601	1.4
118.57520	0.9
123.01178	1.9
133.52083	0.9
134.99580	1.0
137.02748	1.8
139.00703	2.3
141.02180	2.0
146.99657	2.6
153.02205	3.7
155.03795	3.2
157.01694	5.1
159.03293	1.5
167.03810	1.7
169.01723	5.5
171.03265	19.2
173.04825	2.3
175.02802	2.1
181.01784	0.9
181.05309	2.1
183.03326	2.7
185.04822	8.1
187.02727	2.7
189.04353	9.8
191.05821	1.3
195.06874	1.4
197.04839	3.0
199.06438	6.0
201.04419	1.8
203.05922	10.0
207.06828	2.2
208.06581	1.3
209.08498	1.2
211.06371	1.1
215.05893	1.5
217.05487	1.1
217.07477	8.0
221.06845	1.5
222.08032	1.0
223.06445	1.3
225.07977	4.0
233.08601	1.6
235.10124	2.0
237.07877	1.8
239.05853	1.1
239.09433	1.1
243.08961	1.8
251.09465	4.4
253.11098	3.7
255.09021	1.2
263.09491	13.7
269.10538	2.7
271.12305	1.7
276.12836	1.2
281.10556	100.0
282.10910	3.8
299.11606	83.7
300.11966	1.6
304.05289	3.8
304.12158	14.8
304.28564	1.8
317.49969	1.2
322.13315	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	303.2315
Annotation	Haplomitrenone
Peak:m/z	Relative Intensity
53.03925	5.2
55.01854	7.0
55.05509	22.2
56.96545	8.6
57.07052	9.4
57.46381	3.4
64.46962	3.6
67.05496	50.4
69.03407	5.1
69.07056	24.1
71.04968	6.4
71.17070	6.7
71.17397	7.1
79.05479	31.8
81.07050	100.0
83.04975	19.7
83.08633	5.2
85.06522	6.3
91.05470	28.5
93.07030	53.3
95.04949	31.8
95.08038	6.5
95.08591	68.2
97.06522	13.0
97.10132	4.4
105.07011	54.5
107.08584	64.8
109.06494	17.9
109.10143	45.3
111.08064	58.0
117.06952	4.8
119.08563	44.4
121.06470	8.5
121.10118	49.5
123.08051	19.4
123.11707	26.6
125.09624	7.0
131.08572	8.0
133.10098	39.7
134.99673	5.9
135.08009	11.6
135.11646	15.1
137.09586	43.0
137.13217	4.6
139.11148	18.4
143.08534	9.2
143.63602	3.5
145.10094	17.3
147.11673	37.5
147.59933	4.0
149.09605	18.3
149.13200	8.1
151.11136	16.7
153.01794	6.9
153.42607	3.8
157.10085	4.5
159.11647	15.4
161.09628	4.0
161.13240	14.7
163.11157	12.9
163.14799	10.1
165.12772	16.6
171.11629	4.4
173.09488	4.8
173.13248	16.1
175.14824	10.2
185.13156	5.2
187.14796	15.8
191.14299	22.9
193.15877	4.9
197.13329	5.2
201.16272	5.1
203.14165	5.5
205.15884	12.4
209.15410	5.0
211.14751	9.1
215.14285	5.4
257.19263	4.1
267.21069	5.6
285.22064	11.9
303.01306	11.6
303.04929	48.7
303.19681	4.8
303.23135	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	(3E,5E,10E)-7-Hydroxy-13-keto-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
Peak:m/z	Relative Intensity
53.03934	3.2
55.01856	5.3
55.05510	28.8
57.03415	2.7
57.07063	3.0
59.05006	2.1
65.03931	3.1
67.05168	3.0
67.05502	42.7
69.03412	6.4
69.06713	2.4
69.07063	31.0
70.05357	8.9
71.04992	11.3
79.05485	31.9
81.07050	100.0
83.04973	22.6
83.08590	8.5
85.06525	2.8
91.05468	27.8
93.06462	3.4
93.07038	54.7
95.04961	39.4
95.08599	79.8
97.06536	15.9
97.10149	2.0
98.20896	2.1
103.05482	2.7
105.04488	2.1
105.07029	54.1
107.04938	3.0
107.08588	82.8
109.06509	22.7
109.10144	59.8
111.07355	3.6
111.08076	51.9
113.09621	4.3
117.06988	5.1
119.08571	45.2
121.06487	7.2
121.10137	58.6
123.08061	21.0
123.11699	29.0
125.09560	4.0
129.06981	2.2
131.08543	9.4
133.09113	1.9
133.10123	42.9
135.08018	12.6
135.11691	21.2
137.08641	3.3
137.09599	44.5
137.13199	3.6
138.10371	7.2
139.11169	24.9
143.08539	5.1
144.09184	2.5
145.10086	22.9
147.11674	49.7
148.50496	1.9
149.09596	23.8
149.13217	11.1
151.11150	14.6
153.01871	2.8
153.12726	2.5
157.10097	6.1
158.10779	3.3
159.11684	16.0
161.09637	2.6
161.13213	13.2
161.73738	2.2
163.11183	12.3
163.14824	14.6
165.12770	15.7
171.11656	5.7
173.13251	16.5
175.11110	2.8
175.14824	6.7
177.12747	5.0
177.16299	4.1
183.11732	2.3
185.13248	4.0
187.14841	8.7
189.12752	2.0
189.16342	3.8
191.14299	33.8
191.17908	2.3
193.15897	4.2
197.13174	4.2
201.16367	10.8
205.15903	11.2
207.17574	3.1
209.15358	9.8
211.14821	4.4
215.14195	1.9
219.17404	5.3
229.15968	4.8
267.21069	7.1
285.22171	15.6
303.01489	3.9
303.04868	18.1
303.19736	1.7
303.23166	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	303.2315
Annotation	(3E,5E,10E)-7-Hydroxy-13-keto-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
Peak:m/z	Relative Intensity
53.03917	2.3
53.85160	1.4
55.01854	5.8
55.05262	1.9
55.05502	25.4
56.96551	2.7
57.03429	2.7
57.07048	4.1
59.05010	1.7
65.03912	4.0
67.05499	42.9
69.03410	5.5
69.07060	31.6
69.37519	16.8
71.04975	12.2
72.77147	1.6
79.05485	28.4
81.07050	100.0
82.07375	2.0
82.30877	1.7
83.04971	23.1
83.08592	6.3
85.06516	4.1
91.05460	28.8
93.06461	3.5
93.07030	55.9
95.04959	37.0
95.08597	73.3
97.02842	2.1
97.06533	18.4
98.97556	4.5
99.08086	2.2
105.07022	55.2
107.04905	2.3
107.08582	77.1
107.93685	1.7
109.06508	18.0
109.10142	55.3
111.07354	3.1
111.08068	46.3
111.40033	1.8
113.09603	2.3
116.98640	1.8
117.07000	6.1
118.09058	1.7
119.01882	1.6
119.07783	2.9
119.08574	43.3
121.06480	6.4
121.10129	50.0
123.08045	20.9
123.11693	26.1
125.09590	5.4
129.06911	1.7
131.08554	11.4
133.09099	2.5
133.10114	43.6
134.99684	2.5
135.08020	14.9
135.11674	18.9
137.09599	41.1
137.13264	5.0
138.10393	5.3
139.11163	21.7
143.08554	3.2
145.10103	22.0
147.08055	2.2
147.11685	40.4
149.09621	22.4
149.13237	11.0
151.11147	18.3
153.01805	6.3
153.12784	3.0
157.10089	4.3
159.11688	14.7
161.09576	4.6
161.13239	10.1
163.11168	10.9
163.14821	12.5
165.12755	18.8
169.10170	2.0
171.11653	4.0
173.13217	17.4
175.11264	2.5
175.14857	8.6
177.00642	1.5
177.05498	2.0
177.12735	2.9
177.16341	3.5
181.12181	2.4
185.13286	2.3
187.14778	12.2
189.12680	2.1
189.16399	3.2
191.14281	26.5
193.15855	4.3
197.13167	3.0
199.14809	1.7
201.16382	10.8
205.15863	11.7
207.17519	2.1
209.15363	8.3
211.14824	3.1
215.14331	3.1
219.17400	5.1
229.04803	2.9
229.15833	4.6
243.21170	1.7
257.22812	2.0
267.20993	5.1
285.22092	16.2
285.75690	1.7
303.01334	5.0
303.04922	31.6
303.08356	3.8
303.19977	4.3
303.23169	42.2
304.05136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78498	0.6
56.05030	3.2
56.28159	0.5
57.30787	0.7
59.55477	0.6
59.66220	0.6
68.99778	1.0
70.73045	0.7
70.73378	1.4
71.08623	11.9
83.06099	2.7
84.04498	84.3
85.02895	1.8
87.00796	1.1
88.11262	34.0
91.05476	1.0
98.02633	0.6
98.06054	8.8
121.41671	0.7
124.03922	1.6
130.04016	1.5
130.04994	26.2
136.07500	0.7
137.02344	0.7
142.05034	1.2
149.06093	0.6
152.03407	8.2
153.01840	1.9
153.13875	3.1
153.40968	0.5
154.12256	100.0
155.12646	1.7
162.05490	1.2
171.14905	11.2
173.02338	1.0
197.12840	1.7
198.03967	6.2
199.14403	6.0
200.12845	4.2
201.01892	1.5
203.03378	0.7
213.16028	0.8
217.15488	2.6
229.01404	1.0
229.04988	1.1
239.14040	1.9
241.15654	0.8
243.13376	0.9
247.02374	1.5
257.00851	2.6
257.04367	0.8
257.14941	20.4
257.17612	1.2
267.13464	1.3
275.01779	1.9
285.00296	1.4
285.11826	1.4
285.14731	4.2
303.01312	12.2
303.04971	21.7
303.15598	5.9
304.01801	0.9
304.05392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2314
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
52.27971	3.2
53.03937	6.4
55.05503	16.9
56.96561	16.6
57.03420	4.4
57.07069	5.8
59.09197	3.7
65.03940	3.2
67.05495	53.5
69.03399	5.2
69.07062	31.0
70.93716	9.7
71.04981	9.1
78.73858	3.6
79.05479	32.8
81.07050	100.0
82.03357	4.2
83.04972	7.1
83.08599	8.7
85.06557	3.2
91.05472	43.4
93.07037	70.2
95.04954	12.7
95.08600	74.5
96.69637	3.2
97.06509	9.9
105.07029	54.3
107.08581	39.0
109.06503	16.9
109.09457	4.3
109.10146	59.8
111.08066	65.7
117.07000	3.8
119.08582	41.6
121.06477	6.5
121.10136	39.5
123.08049	29.6
123.11694	26.2
125.09623	3.8
130.84784	3.2
131.08536	9.0
133.10117	32.7
135.08075	4.6
135.11662	14.8
137.09601	77.5
137.13206	8.1
138.10359	4.8
139.11198	17.2
143.08549	5.2
145.10135	10.9
147.08028	4.6
147.11658	32.8
149.09622	11.4
149.13289	9.2
151.11162	14.4
153.01875	5.8
159.11670	12.2
161.09573	4.2
161.13232	5.0
163.11166	9.3
163.14844	4.2
165.12738	17.0
165.25705	3.7
171.11754	4.5
173.13234	9.5
175.11192	5.3
175.14816	15.7
187.14864	8.0
189.04333	4.2
189.12753	3.3
191.14272	12.3
193.15892	5.5
201.16452	4.1
202.12712	4.1
211.14963	6.2
215.14282	4.6
217.04579	3.5
229.04996	5.7
257.22641	5.7
263.09717	6.7
267.20883	4.5
281.10529	36.0
285.22180	15.0
299.11621	26.2
303.01486	8.2
303.04941	48.4
303.19461	19.3
303.23138	38.3
304.12286	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03920	0.3
55.01871	0.3
55.05489	0.4
62.37838	0.2
65.03935	0.6
65.48283	0.2
67.01863	0.6
67.05487	0.8
68.99775	2.2
69.03416	0.5
69.07046	0.4
69.87046	1.2
69.87437	0.4
71.01347	0.2
72.52676	0.2
79.05470	0.4
81.03394	0.8
81.07042	1.0
83.04958	0.2
91.05479	0.7
93.03402	0.5
93.07021	1.0
95.04972	1.7
95.08578	0.7
97.02867	0.2
105.07007	0.9
107.04979	0.4
107.08585	0.7
109.02859	1.1
109.06514	0.2
109.10162	0.6
111.00809	2.1
111.04427	0.3
115.05425	0.4
117.07028	0.5
119.08581	0.7
121.02858	2.1
121.06525	0.5
121.10147	0.8
123.04408	1.0
125.09536	0.3
127.03911	0.8
129.07024	0.5
131.04962	0.6
131.08496	0.2
133.02791	0.2
133.10126	0.3
135.04407	0.9
135.08060	0.5
137.02335	7.7
137.03400	0.5
138.09145	0.5
145.06479	0.9
145.10136	0.4
147.11684	0.6
149.02354	0.6
153.01822	10.4
155.04910	1.0
159.04451	0.4
159.11693	0.5
161.05946	1.0
163.03894	1.5
165.01830	4.1
166.02611	0.6
166.05017	0.3
166.08582	0.3
173.05998	1.5
173.13281	0.3
175.14752	0.3
177.01883	0.3
179.03395	0.3
183.02879	1.6
183.04434	1.1
187.03912	1.0
191.03336	0.4
191.07031	0.3
195.02895	0.4
201.05490	4.4
202.05820	0.3
205.04977	0.5
211.04001	0.3
213.05374	0.5
215.03421	0.3
217.12151	0.3
219.02856	0.3
219.06522	0.5
228.04245	0.4
229.04956	9.9
230.05371	0.5
239.03398	0.4
247.06003	1.1
257.04462	5.4
258.05063	0.2
274.04681	1.1
275.05194	0.5
285.03961	2.9
285.12372	0.3
303.04977	100.0
303.23145	1.0
304.05316	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58408	0.6
56.96553	3.0
67.97815	0.8
69.03419	1.8
70.06585	1.4
71.58281	1.6
72.57015	0.7
76.87106	0.7
83.06084	1.0
84.04472	0.9
85.02869	1.8
91.05511	1.7
92.71667	0.7
97.02868	1.5
98.97575	5.6
109.02876	1.0
110.07153	4.4
114.05512	1.2
114.48100	0.7
116.98582	7.3
117.03354	1.2
126.19035	0.6
127.03892	1.0
128.98581	0.8
129.03381	1.0
131.06699	0.8
134.99637	5.3
141.05205	5.8
141.06168	0.6
141.06519	0.6
145.02821	2.1
146.99533	1.1
147.04329	1.9
153.00725	0.8
153.01782	3.5
157.02795	0.9
158.99619	3.9
161.04636	1.1
163.03877	1.1
173.02357	4.8
177.00679	6.8
179.03442	0.8
185.04253	2.7
185.09175	0.9
191.03438	2.4
200.02313	1.1
201.01834	11.4
203.03398	1.9
203.05183	0.9
213.01794	1.3
217.01445	1.1
219.01555	0.7
219.02959	1.3
229.01306	8.6
231.02869	1.9
237.02740	1.3
247.02344	8.8
257.00787	16.9
259.02383	2.2
275.01825	14.8
285.00287	12.7
285.09390	0.7
285.18106	0.7
303.01315	100.0
303.10532	29.4
304.01761	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.93114	0.1
53.03930	0.1
55.01870	0.4
62.01611	0.1
65.03946	0.6
65.63079	0.1
67.01865	0.4
67.05485	0.2
68.99427	0.1
68.99784	2.3
69.03409	0.2
69.44292	0.1
69.44883	0.6
69.45212	0.1
71.01317	0.1
76.50436	0.1
77.03905	0.1
81.03412	0.7
91.05441	0.2
93.03410	0.8
95.04944	0.8
97.02882	0.1
98.21464	0.1
103.05470	0.1
105.03371	0.2
105.07016	0.1
107.01313	0.1
107.04933	0.2
107.44572	0.1
109.02870	1.2
111.00790	2.1
111.04419	0.2
115.05428	0.3
117.07005	0.3
119.04899	0.1
121.01982	0.1
121.02854	2.4
123.04411	0.8
126.03014	0.1
127.03900	0.6
128.06235	0.1
129.06984	0.1
131.04893	0.4
133.02843	0.1
133.06473	0.2
135.04373	0.5
137.02328	8.0
138.02669	0.1
139.05426	0.1
143.04919	0.1
145.02823	0.2
145.06474	1.0
147.04453	0.1
149.02338	0.9
149.05951	0.1
151.03868	0.1
153.01810	11.3
154.02142	0.2
155.04890	1.1
155.06021	0.1
157.06476	0.2
159.04378	0.3
160.05093	0.2
161.05951	0.8
163.03905	1.3
165.01817	4.0
166.02605	0.6
167.03410	0.2
169.02788	0.1
171.02858	0.2
173.02354	0.1
173.05974	1.5
177.01794	0.2
177.05440	0.3
179.03326	0.4
183.02864	1.7
183.04428	1.1
185.05898	0.2
187.03885	1.2
191.03397	0.4
191.06964	0.3
193.05043	0.1
194.02075	0.1
195.02837	0.5
201.05450	4.7
202.05879	0.1
203.03391	0.1
205.04912	0.5
207.02849	0.3
211.03888	0.4
213.05443	0.3
215.03397	0.2
217.04974	0.1
219.02995	0.4
219.06487	0.5
221.04514	0.1
228.04144	0.8
229.04932	10.5
230.05324	0.4
232.03639	0.2
233.04622	0.1
239.03452	0.4
245.04422	0.2
246.05247	0.1
247.06015	1.4
257.04425	5.4
258.04858	0.2
261.04001	0.1
274.04724	1.5
275.05377	0.6
285.03897	2.5
286.04562	0.2
303.04953	100.0
304.05289	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
65.03927	0.6
67.01843	0.5
67.05490	0.2
68.99426	0.2
68.99783	2.5
69.03416	0.3
69.29835	0.5
69.30264	0.7
71.01328	0.1
81.03419	0.8
91.05484	0.2
93.03395	0.7
95.04956	0.9
98.20744	0.2
101.88229	0.1
103.69907	0.1
105.03382	0.3
105.05514	0.2
107.01276	0.2
107.04931	0.3
108.43808	0.1
109.02876	1.0
110.03690	0.2
111.00790	2.0
111.04408	0.2
115.05435	0.2
117.07005	0.3
118.77286	0.1
121.02862	2.0
123.04393	0.8
127.03910	0.6
129.06943	0.1
131.04887	0.4
132.48991	0.1
133.06406	0.1
135.04398	0.6
137.02325	7.8
137.03375	0.5
138.02649	0.2
145.02809	0.3
145.06468	1.0
149.02339	0.7
153.01807	10.7
154.02107	0.3
155.04881	1.3
155.06027	0.1
159.04367	0.4
161.05991	0.7
163.03865	1.3
165.01820	3.9
166.02612	0.8
167.03113	0.1
171.02974	0.1
173.05980	1.8
177.01833	0.2
177.05397	0.3
179.03381	0.5
183.02859	1.6
183.04427	1.1
187.03857	1.0
191.03391	0.4
191.06975	0.2
193.04964	0.1
195.02837	0.5
201.05438	4.6
202.05676	0.1
205.04919	0.5
207.02867	0.2
211.03938	0.4
213.05443	0.2
215.03320	0.3
219.02969	0.2
219.06544	0.5
219.84744	0.1
228.04227	0.7
229.04938	10.2
230.05327	0.3
232.03664	0.1
233.04436	0.2
239.03384	0.5
245.04454	0.3
247.05972	1.3
257.04419	5.3
258.04956	0.2
274.04666	1.4
275.05307	0.3
285.03903	2.4
286.04388	0.2
302.03876	0.2
303.04950	100.0
304.05276	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.86449	0.1
53.03927	0.2
55.01859	0.3
65.03925	0.7
67.01847	0.5
67.05478	0.3
68.99774	2.7
69.03408	0.3
70.75069	0.1
70.75433	0.4
71.01326	0.2
78.31642	0.1
81.03391	0.7
82.51348	0.1
91.05449	0.2
93.03397	0.7
95.04926	0.9
103.05450	0.1
103.51758	0.1
103.93196	0.1
104.67168	0.1
105.01170	0.1
105.03363	0.3
107.01315	0.1
107.04929	0.2
109.02850	1.5
110.03603	0.1
111.00786	2.2
111.04340	0.2
115.05389	0.1
117.07001	0.5
121.02838	2.4
123.04423	0.7
127.03915	0.6
131.04912	0.4
133.02882	0.2
133.06432	0.3
135.04390	0.6
137.02321	8.8
137.03371	0.5
137.75468	0.1
145.06439	1.0
149.02319	1.0
151.03897	0.1
153.01799	11.4
154.02159	0.2
155.04915	1.1
155.06049	0.2
157.06500	0.3
159.04382	0.2
161.05960	0.6
163.03865	1.5
165.01808	4.0
166.02620	0.6
171.04381	0.1
173.02237	0.1
173.05945	1.4
177.01796	0.2
177.05429	0.3
179.03368	0.3
183.02867	1.4
183.04417	1.1
185.06053	0.2
187.03874	1.3
191.03297	0.3
191.07018	0.2
194.02133	0.2
195.02802	0.6
200.04720	0.2
201.05426	4.9
202.05888	0.2
203.03395	0.2
205.04916	0.6
207.02814	0.3
211.03845	0.4
213.05464	0.4
215.03346	0.3
219.02858	0.3
219.06488	0.5
228.04141	0.7
229.04921	10.3
230.05304	0.3
232.03638	0.2
239.03387	0.4
243.02901	0.1
245.04378	0.2
246.05403	0.2
247.06006	1.3
257.04395	5.9
258.04938	0.2
274.04657	1.5
275.05405	0.4
285.03857	2.9
286.04242	0.2
299.11713	0.1
303.04929	100.0
304.05264	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.1
54.68373	0.1
55.01852	0.4
61.89393	0.1
65.03934	0.6
65.13837	0.1
66.18438	0.1
67.01844	0.2
67.05486	0.3
68.99431	0.2
68.99779	2.1
69.03413	0.3
70.57196	0.3
70.57529	0.3
71.01332	0.2
75.82099	0.1
77.03925	0.1
79.05421	0.1
81.03409	0.7
91.05456	0.2
93.03381	0.5
95.01339	0.1
95.04937	0.8
103.05403	0.2
103.07761	0.1
105.03374	0.2
105.07030	0.2
107.04974	0.1
109.02849	1.3
111.00783	2.0
111.04401	0.2
115.05424	0.1
117.07016	0.3
119.04975	0.1
121.02849	2.1
123.04400	0.7
123.09842	0.1
127.03884	0.5
128.06157	0.2
131.04881	0.4
133.02849	0.2
135.04395	0.5
137.02321	8.6
137.03334	0.5
137.05873	0.2
139.03857	0.2
139.05388	0.1
143.04906	0.1
145.02800	0.4
145.06445	0.8
147.04372	0.2
149.02327	1.0
153.01804	10.5
155.04887	1.1
155.06032	0.2
157.06506	0.2
159.04405	0.2
161.05981	0.9
163.03880	1.1
165.01819	4.4
166.02534	0.5
171.02853	0.2
171.04315	0.1
173.02420	0.2
173.05945	1.6
177.01773	0.2
177.05443	0.2
179.03366	0.4
183.02850	1.8
183.04399	1.2
184.05031	0.1
185.05794	0.1
187.03874	1.2
191.03346	0.4
191.06911	0.2
193.05040	0.1
195.02875	0.5
200.04630	0.3
201.01831	0.2
201.05437	4.6
203.03581	0.1
205.05003	0.4
207.02724	0.2
211.03899	0.5
213.05515	0.3
215.03226	0.3
217.04904	0.2
219.02876	0.3
219.06503	0.6
228.04089	0.7
229.04919	10.3
230.05185	0.3
233.04410	0.2
235.42696	0.1
239.03397	0.5
245.04384	0.3
247.02322	0.2
247.03581	0.2
247.05975	1.4
257.00974	0.3
257.04398	6.0
258.04874	0.2
274.04736	1.6
275.01773	0.2
275.05377	0.6
285.03891	2.6
286.04355	0.2
303.04932	100.0
304.01895	0.2
304.05270	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70987	0.1
53.03936	0.2
55.01853	0.5
65.03931	0.6
67.01853	0.3
67.05488	0.4
68.17905	0.1
68.99783	2.0
69.03417	0.4
69.26880	1.7
72.08146	0.4
78.92017	0.1
79.05487	0.2
80.98016	0.2
81.03400	0.7
91.05474	0.2
93.03394	0.6
93.74493	0.1
95.04960	0.9
103.05482	0.2
105.03374	0.2
105.07007	0.3
107.01343	0.1
107.04964	0.2
109.02865	1.4
111.00794	2.0
111.04454	0.2
115.05449	0.2
117.07002	0.5
121.02869	2.2
123.04428	0.7
127.03903	0.7
129.06981	0.2
130.06549	0.3
131.04927	0.4
133.06473	0.2
135.04378	0.6
137.02335	7.3
137.03371	0.5
137.05913	0.2
145.02840	0.3
145.06458	0.9
149.02362	0.9
151.03928	0.2
153.01819	10.7
154.02177	0.3
155.04883	1.1
155.05963	0.3
156.20248	0.1
157.06523	0.2
158.05949	0.6
159.04420	0.3
161.05971	0.8
163.03926	1.5
165.01837	3.7
166.02605	0.6
169.37085	0.1
171.04314	0.2
173.05972	1.7
179.03360	0.4
183.02859	1.6
183.04419	0.9
183.08043	0.2
184.08087	0.1
186.05496	0.4
187.03912	0.7
191.03394	0.5
191.07001	0.2
195.02838	0.5
201.05457	4.3
202.05798	0.2
204.10139	0.3
205.05026	0.5
211.03922	0.3
213.05548	0.3
215.03384	0.3
215.34955	0.1
217.05023	0.2
219.02841	0.2
219.06470	0.6
228.04161	0.7
229.04955	10.3
230.05301	0.5
232.03711	0.2
239.03392	0.4
245.04459	0.2
247.05956	1.5
257.04437	5.5
258.04889	0.2
271.09583	0.2
274.04715	1.4
275.05444	0.3
285.03891	2.8
286.04535	0.2
303.04968	100.0
304.05313	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	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03936	0.1
54.86923	0.1
55.01870	0.4
59.52298	0.1
60.40963	0.1
65.03937	0.7
67.01861	0.5
67.05497	0.5
68.99784	2.8
69.00160	0.1
69.03430	0.5
71.01350	0.1
71.60185	0.1
72.19752	0.1
79.05463	0.1
81.03398	0.9
81.07042	0.2
83.01368	0.1
83.61737	0.1
91.05467	0.3
93.03384	0.6
93.07035	0.1
95.04961	1.1
95.08623	0.1
97.02889	0.1
103.05460	0.2
105.03387	0.3
105.07033	0.2
107.01337	0.1
107.04954	0.3
109.02135	0.1
109.02866	1.4
110.03687	0.2
111.00795	2.1
111.04446	0.2
115.05461	0.2
117.07005	0.4
119.04897	0.1
119.08575	0.2
121.02863	2.8
123.04411	0.8
125.02396	0.1
126.03146	0.1
127.03919	0.5
127.05457	0.1
128.06206	0.2
129.06993	0.2
131.04897	0.6
133.02841	0.2
133.06456	0.2
135.04408	0.7
137.02333	8.3
137.03374	0.5
137.05936	0.1
138.02657	0.3
139.03871	0.1
139.05353	0.1
143.04886	0.1
145.02827	0.2
145.06471	1.1
147.04384	0.1
149.02348	0.9
149.05971	0.1
151.03923	0.1
153.01817	12.3
154.02225	0.2
155.04887	1.3
155.06004	0.1
157.06470	0.2
158.66115	0.1
159.04388	0.4
161.05968	0.9
163.03889	1.6
165.01828	4.4
166.02597	0.6
170.10619	0.1
171.02869	0.3
173.05978	1.8
177.01817	0.3
177.05458	0.3
179.03374	0.6
183.02864	1.8
183.04411	1.1
185.05917	0.1
187.03867	1.2
188.04333	0.1
191.03371	0.5
191.06975	0.1
195.02927	0.5
200.04750	0.1
201.05452	5.1
203.03337	0.1
205.04959	0.6
207.02901	0.3
211.03850	0.4
213.05453	0.2
215.03319	0.3
217.04909	0.1
219.02872	0.4
219.06535	0.6
228.04161	0.8
229.04944	10.8
230.05321	0.2
231.02716	0.1
232.03645	0.1
233.04420	0.2
239.03491	0.4
243.03000	0.1
245.04488	0.2
246.05121	0.2
247.06018	1.5
256.03891	0.1
257.04434	6.0
258.04852	0.3
274.04712	1.5
275.05368	0.8
285.03934	2.3
286.04572	0.3
302.03903	0.2
303.04962	100.0
304.05304	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75215	0.2
53.03945	1.5
55.01876	0.4
56.96555	0.9
57.03414	0.5
60.91215	0.3
61.02921	0.4
67.05496	1.0
68.99789	0.4
69.03420	1.1
70.06592	0.7
71.57971	0.6
72.08144	0.3
72.93784	0.3
73.02921	0.4
80.01644	0.3
81.03400	0.5
81.05750	0.2
84.08136	0.8
85.02903	1.3
91.05476	0.7
94.06568	1.9
95.05046	0.3
97.02882	0.7
109.02892	0.4
110.06040	1.0
110.07202	0.8
112.05006	0.3
116.98650	0.3
119.04943	0.4
122.06019	100.0
123.04441	0.4
123.06290	1.4
124.07603	2.0
127.03875	0.4
128.14438	0.3
134.06055	1.6
134.99626	0.4
135.06856	0.4
136.07544	0.6
140.07054	25.6
145.02870	0.3
146.99603	0.4
147.04378	1.4
152.07050	2.2
153.01796	0.8
156.07664	0.8
164.07098	0.7
170.97820	0.3
173.02425	0.9
175.03787	0.3
181.09700	0.3
184.98839	0.3
185.02600	0.8
186.05872	0.3
187.04173	0.3
190.02609	0.9
191.03450	0.5
193.03154	0.4
194.03293	0.6
195.02600	0.3
200.04134	0.3
201.01846	2.0
215.84843	0.3
218.02043	0.3
229.01332	1.9
231.03061	0.5
244.03122	0.3
246.01555	0.5
247.02397	1.8
256.06436	0.8
257.00797	4.1
259.02628	0.5
260.09766	0.7
273.08994	1.1
275.01852	3.0
276.11404	0.9
285.00287	2.9
285.09253	0.4
302.00497	4.6
302.07101	0.3
302.12289	14.5
303.01312	20.2
303.10242	1.4
320.01825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61952	0.4
71.23558	0.8
101.00861	0.6
105.01883	0.4
114.58957	0.4
116.59709	0.4
119.01902	6.4
120.01994	1.0
134.83900	0.4
134.99794	0.7
137.02942	3.6
153.00861	0.5
158.99956	0.6
175.06479	0.5
176.99364	0.9
177.00937	18.1
178.01024	5.3
179.00673	3.1
180.00705	0.6
182.99892	0.6
195.01950	0.5
201.01013	1.5
202.01010	0.4
203.00583	0.5
217.04073	2.1
218.03629	2.3
219.01985	28.7
220.02058	7.2
221.01736	10.3
222.01801	2.2
225.00876	2.4
226.01064	0.6
236.02586	0.5
242.03555	0.9
243.01897	6.9
244.02061	1.8
255.96594	0.5
258.03079	0.6
258.99899	0.9
260.00024	0.5
261.03021	100.0
262.03165	32.8
262.07269	0.6
263.02863	5.0
266.03488	0.4
277.00964	1.2
279.00467	0.6
279.06100	1.0
282.99939	1.0
284.04559	2.9
284.99670	2.0
285.04538	1.8
288.51025	0.5
298.01160	0.7
301.01047	2.4
302.01151	0.5
303.00851	5.2
303.05453	9.7
304.00894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2156
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03934	3.7
55.01852	4.9
55.05502	11.9
56.96553	9.5
57.03435	5.5
57.07066	3.8
59.75508	2.4
67.05493	18.0
69.03420	5.8
69.07057	24.9
69.48753	14.1
69.49163	4.5
71.04972	3.4
79.05487	16.6
81.07046	47.3
83.04973	6.4
83.08608	4.4
91.03932	2.7
91.05465	23.6
93.07034	47.7
95.04937	6.1
95.08597	22.7
97.06512	7.0
98.21509	4.9
98.97533	3.1
99.04928	2.3
105.07017	29.5
107.08582	66.0
107.51785	2.2
109.06509	14.4
109.10154	29.0
111.08065	27.1
113.90459	2.3
116.98581	3.4
117.07005	6.7
119.08569	35.4
121.06487	20.8
121.10121	39.8
123.08061	18.6
123.11700	7.4
125.52926	2.5
130.00577	4.2
130.07782	6.7
131.08522	15.8
133.10114	36.8
134.99614	7.8
135.08061	19.5
135.11681	26.4
137.09608	24.6
138.10402	7.5
139.11160	6.4
143.08557	8.2
145.10110	31.0
147.11668	65.2
149.09637	21.9
149.13237	22.6
151.11159	11.9
155.10623	7.9
157.10071	3.8
158.10887	9.1
159.11734	4.9
161.09613	15.2
161.13193	3.1
163.11142	54.3
163.14812	10.8
165.12740	10.2
171.11674	5.3
173.09508	2.2
173.13243	51.3
175.14861	4.0
177.12802	5.5
178.01711	3.9
179.14240	2.8
185.13249	3.8
189.12636	3.3
191.14288	100.0
193.15877	4.6
195.13788	2.9
199.14784	3.4
201.12784	3.3
201.16359	5.3
203.14381	3.6
209.13324	3.2
212.08409	2.8
223.14783	2.8
227.14331	3.6
229.15961	2.7
231.13899	2.7
240.23241	13.2
241.15823	3.9
265.19470	3.5
270.12238	2.6
273.03375	2.4
278.47675	3.2
283.20593	18.2
301.03552	3.3
301.06940	4.4
301.18246	5.1
301.21628	62.3
301.25000	3.2
301.28815	3.1
302.22018	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	301.2158
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
52.59387	1.8
53.03926	7.5
55.01853	6.9
55.05504	15.1
56.96545	4.3
57.03416	6.5
57.07051	3.5
62.66520	1.5
65.03919	2.1
67.05494	31.0
69.03417	10.0
69.07051	20.4
69.83602	8.8
71.04976	4.8
79.05054	2.7
79.05484	37.1
81.03407	100.0
81.07046	53.0
83.04952	6.6
83.08607	5.9
84.08118	3.3
84.38578	1.7
85.02890	3.8
85.06522	3.6
86.54961	1.5
91.05463	36.9
93.07031	61.7
95.04957	35.4
95.08588	42.2
97.06522	12.0
97.10145	3.9
98.21375	3.3
98.97585	2.1
103.05426	2.9
105.04462	2.2
105.07012	43.4
107.04948	20.7
107.08578	30.0
109.06499	10.7
109.10139	40.4
109.92229	1.5
111.08065	64.0
111.11639	1.5
112.11215	3.4
115.05383	3.0
116.06215	3.8
116.98640	1.8
117.07009	12.3
119.04945	1.9
119.08549	22.6
119.09324	1.7
121.02838	3.6
121.06514	13.0
121.10126	32.4
122.07285	1.8
123.04383	2.6
123.08046	17.6
123.11682	14.6
125.09620	3.8
128.06197	1.7
129.06955	4.7
130.07767	2.5
131.08545	22.1
132.76508	1.7
133.06479	2.5
133.10115	23.5
135.08034	56.3
135.11662	15.8
137.09605	38.4
137.13235	3.5
138.10347	4.0
139.11177	11.7
143.08537	5.2
144.46696	1.5
144.92406	1.4
145.06447	2.2
145.10103	22.0
147.08020	6.1
147.11676	13.9
149.01183	2.1
149.09596	40.3
149.13205	5.8
151.11165	8.5
153.12740	1.6
157.10115	5.8
159.08099	1.5
159.11667	8.3
161.09596	4.0
161.13240	5.2
163.11131	14.3
163.14783	2.8
165.12720	21.3
167.03410	3.9
171.11626	4.8
173.09590	3.0
173.13237	5.5
175.11171	6.2
175.14725	3.2
181.10039	1.9
183.11702	2.4
183.37430	1.8
185.13245	3.8
187.11113	2.0
187.14786	4.0
189.12735	6.4
189.16391	3.0
191.14308	5.7
193.12122	1.8
197.13194	2.4
199.14693	3.5
201.16331	3.8
209.13173	1.9
212.04898	1.8
223.14795	1.7
227.14304	3.9
241.19499	2.9
244.09615	6.2
255.21028	1.9
258.05228	11.8
265.19617	2.7
265.25201	2.3
272.06635	2.5
283.20502	10.7
283.23483	1.8
283.26605	2.8
284.15021	2.2
286.04675	5.0
289.10645	2.8
297.06271	2.5
301.03882	3.5
301.07031	87.1
301.10471	4.3
301.21606	54.4
301.24954	4.2
302.07516	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	301.2161
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
50.41215	1.1
53.03940	7.2
55.01852	4.5
55.05290	1.1
55.05510	9.5
57.03444	6.6
57.07056	2.7
65.03924	1.9
65.71666	1.3
67.05499	24.8
69.03416	5.7
69.07057	8.5
69.33073	11.9
71.04980	5.4
77.03897	1.2
79.05487	27.1
81.03413	100.0
81.07054	36.3
83.04961	3.7
83.08590	3.0
91.05476	25.1
93.07035	38.0
95.04970	23.6
95.08040	2.1
95.08601	25.9
97.06530	8.4
103.05464	1.4
103.32775	1.2
105.07027	31.6
107.04961	12.0
107.08592	22.6
109.06498	8.6
109.09373	1.4
109.10146	30.4
111.08077	55.4
112.08412	1.3
115.05498	1.4
116.06195	2.9
117.07004	8.5
119.08572	16.2
121.06500	8.3
121.10127	19.8
122.07303	1.7
123.04439	2.5
123.08071	16.0
123.11710	9.4
125.09636	1.6
129.06992	3.5
130.07742	2.1
131.08549	16.4
132.08846	1.7
133.10136	14.2
135.08047	62.9
135.11679	10.9
137.09616	39.1
137.13266	1.8
137.90120	1.2
138.10385	4.0
139.11172	12.3
143.08522	2.2
145.06451	1.6
145.10124	15.2
147.08049	4.6
147.11681	8.7
149.09608	28.0
149.13234	4.1
151.11121	6.0
153.12749	1.5
157.10115	3.2
159.11696	4.3
161.09642	3.3
161.13245	4.6
163.11198	11.5
165.12756	17.1
169.10190	1.6
171.11635	1.7
173.13240	3.3
175.11237	2.9
175.14815	1.6
177.12682	1.5
185.13266	1.9
187.11188	1.3
187.14824	1.7
189.12715	4.2
189.16446	1.5
191.14305	4.8
193.12257	1.8
199.14777	3.0
201.12834	1.4
201.16336	2.8
203.14314	1.4
213.12747	1.4
227.14317	3.6
255.21046	1.9
283.20572	8.5
283.23431	1.5
301.07031	2.7
301.21759	36.0
301.24979	2.6
301.29367	1.6
302.21777	1.8
318.25284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.5
54.10144	5.1
54.26740	4.4
55.01873	28.0
55.05504	39.7
57.03430	39.3
65.03921	4.9
67.05164	8.4
67.05501	100.0
69.07054	16.8
71.04982	10.0
74.92693	4.7
79.05481	78.1
81.03403	13.2
81.07046	59.2
83.04985	29.9
83.08618	11.2
85.02862	6.6
85.06528	9.9
91.05463	37.0
93.07027	77.1
95.04951	28.1
95.08596	33.9
97.06519	27.3
97.10126	6.9
98.21606	9.1
99.04430	8.6
105.07024	17.8
107.04942	53.5
107.08577	34.7
109.06477	7.7
109.10143	21.5
110.43888	4.2
111.04412	35.7
111.08035	8.3
117.06977	29.4
119.08582	27.0
121.06506	6.1
121.10132	59.7
123.08090	7.3
125.05954	7.2
125.09667	8.4
131.08569	20.3
133.10089	8.1
134.99660	4.6
135.08026	8.0
135.11694	43.7
137.09671	5.1
139.11226	5.3
145.06462	6.8
145.10106	50.0
147.11766	5.9
149.09628	11.8
153.12703	16.1
155.08553	12.0
163.11143	70.2
173.09604	40.1
181.12259	26.3
188.92401	24.2
191.10669	30.7
209.11679	12.1
223.11087	5.8
227.12796	26.7
244.95123	16.5
245.13858	7.9
257.13828	6.4
283.15317	8.3
301.07095	11.1
301.16470	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01855	0.5
55.05500	0.4
56.96536	0.2
57.03404	0.3
63.02362	0.2
64.71219	0.2
65.03919	0.7
66.01056	0.7
66.51228	0.2
67.01865	1.8
67.05499	1.3
68.02641	0.2
68.99782	2.2
69.03419	0.4
69.07048	0.7
70.06566	0.2
71.04971	0.4
71.41770	0.4
72.08159	0.3
73.02864	0.2
75.10065	0.2
78.01077	0.2
79.05495	1.3
81.03400	1.1
81.07047	2.2
83.04971	0.4
83.08591	0.3
84.08124	0.7
91.04967	0.2
91.05463	1.4
92.02610	1.2
92.04964	0.7
93.03394	0.6
93.07045	1.8
94.04194	0.4
95.04945	0.6
95.08593	1.3
97.06526	0.4
97.52575	0.2
98.97572	0.3
103.05461	0.5
105.07011	2.0
107.04943	0.4
107.08585	1.5
108.02094	0.5
109.02868	0.6
109.06479	0.5
109.10131	0.8
110.02970	0.4
110.03654	5.0
111.00755	0.3
111.08046	0.3
112.11256	0.6
115.05431	0.7
116.06231	0.4
117.07006	0.4
119.08567	1.8
120.04453	0.4
121.02874	0.7
121.06487	0.5
121.10098	1.1
122.06004	0.5
123.11675	0.3
124.01570	0.3
126.03089	1.6
127.03921	0.6
128.06271	0.3
129.07024	0.3
129.13866	0.3
129.71318	0.2
131.04909	0.3
131.08565	0.5
133.02937	0.2
133.06432	0.4
133.10136	1.1
134.99722	0.2
135.00766	0.3
135.04381	0.2
135.08022	0.4
135.11636	0.2
136.07553	0.5
137.02335	8.7
137.03400	0.9
137.09529	0.4
142.07722	0.2
143.04944	0.3
143.08513	0.4
144.05687	0.8
145.06487	0.2
145.10103	0.6
146.99510	0.2
147.04417	1.0
147.11647	0.9
149.02289	0.2
149.09604	1.1
149.13197	0.3
150.03090	0.6
151.11168	0.5
153.01817	4.5
154.02556	0.4
154.07713	0.3
154.85577	0.2
155.04903	0.3
155.08432	0.2
157.10060	0.5
159.04437	0.3
159.11682	0.5
161.05975	0.5
161.09657	0.3
161.13203	0.4
162.05510	0.4
163.03833	0.2
163.11159	0.5
165.01834	0.7
166.02631	0.6
167.07283	0.4
167.08533	0.3
168.07976	0.3
169.08800	0.3
169.10165	0.2
170.08421	0.4
171.04402	1.6
171.11713	0.3
172.05164	0.6
173.13203	0.5
175.03870	0.6
175.11183	0.3
176.04698	0.4
177.05421	0.6
177.12798	0.3
182.09563	1.0
183.04321	0.2
183.09155	0.7
184.07590	0.2
184.09949	0.8
184.11336	0.3
185.13246	0.2
186.03159	0.2
186.09151	0.3
187.03871	0.7
187.08682	0.5
189.05452	1.1
189.12657	0.2
190.06189	0.3
192.04131	0.4
193.01297	4.9
197.07076	0.5
198.07811	0.8
199.03867	0.9
199.08641	0.5
199.12318	1.3
200.04646	4.1
201.12589	0.2
203.03369	3.7
203.14217	0.3
204.04192	1.7
205.05046	0.3
209.10693	0.4
209.13080	0.3
210.09117	1.4
211.03958	0.3
211.08585	1.4
212.09189	2.3
213.10217	1.3
215.03386	0.6
217.04947	3.8
217.15828	0.2
218.05751	0.8
225.06554	0.6
225.10100	0.3
226.07333	0.9
227.03326	2.6
227.11754	7.3
227.13855	0.2
228.04129	11.1
229.04933	6.2
231.02867	1.1
232.03664	0.9
233.04413	0.6
237.10262	0.4
238.08565	0.4
239.08040	0.5
240.08893	3.5
241.09747	3.4
245.04420	7.4
246.05168	0.7
255.02863	2.7
255.11252	25.4
255.21169	0.4
256.03595	1.5
256.11575	0.4
257.04416	3.7
257.12805	0.4
258.05219	1.1
259.02399	1.1
269.08508	0.2
269.12228	0.2
269.17377	0.3
273.03857	3.8
274.01633	0.4
274.04672	8.9
275.13425	0.3
277.03442	0.8
283.02359	0.7
283.10757	6.7
283.20547	0.8
285.03900	4.4
286.04742	0.4
287.10361	0.3
289.10709	0.9
301.03403	100.0
301.06473	3.5
301.11160	4.1
301.21658	2.0
302.04153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.9
57.03405	0.8
60.04515	0.8
61.02905	0.8
69.03416	0.7
70.06581	1.6
70.72257	1.4
70.72646	1.2
71.01327	1.0
72.08167	0.6
73.02892	0.7
79.16272	0.6
79.66330	0.6
83.06078	0.9
84.08101	0.7
85.02872	0.8
86.09692	0.7
86.26942	0.5
92.07896	0.5
106.04031	0.8
109.05132	1.1
112.07619	0.6
116.98596	0.6
119.03543	0.9
120.08105	5.2
121.08672	0.5
122.75590	0.6
124.08721	1.3
133.05109	1.7
134.99576	0.6
136.06168	100.0
137.04581	1.6
137.06551	0.9
138.07721	0.5
138.09123	4.5
148.06133	0.9
150.07724	1.6
151.06129	4.6
152.05644	1.2
163.12260	1.3
164.05667	5.3
168.06541	0.6
168.08797	7.5
173.02882	0.6
178.07230	16.9
190.07280	1.4
195.01019	0.9
210.56070	0.7
252.07219	3.4
254.08797	0.8
282.08340	1.7
300.09384	5.3
300.13022	4.3
300.19324	0.8
300.99734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
56.96551	1.1
57.07074	0.4
66.33984	0.4
67.05489	1.1
69.07059	0.6
69.26133	1.3
69.26549	3.4
79.05493	2.0
81.07063	2.9
91.05481	2.0
93.07018	1.7
95.04984	0.5
95.08603	2.2
103.05467	1.6
104.26604	0.5
105.07024	50.3
106.07340	0.6
107.08584	0.6
119.04956	0.5
119.08565	0.7
120.08102	0.9
122.09651	1.5
123.11732	0.4
133.35497	0.4
135.11691	0.4
136.11201	7.5
146.16100	0.4
147.04390	0.5
150.12787	2.1
152.14363	0.9
159.54225	0.4
164.14371	0.9
165.15071	0.6
177.56400	0.3
184.11189	4.4
186.12790	0.7
198.12827	0.5
199.13507	0.5
202.12234	3.2
202.15941	1.7
207.06599	1.0
212.14313	1.9
214.15852	0.8
216.97299	0.4
226.15880	5.8
228.17522	0.8
233.19733	0.5
233.21925	0.4
241.08595	0.4
254.19110	0.9
256.20587	100.0
257.20862	2.4
258.22110	1.1
291.14395	0.8
300.23203	72.7
301.23636	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	299.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33305	1.1
55.01868	1.7
55.05505	13.2
55.93515	4.1
56.94304	1.8
56.96545	2.6
57.03451	1.6
57.07068	6.9
59.04987	1.6
66.75490	1.3
67.05500	17.3
69.03419	2.9
69.06712	2.2
69.07063	22.5
70.42152	4.2
70.95844	3.4
71.05013	6.9
71.08624	1.9
72.93776	9.2
75.23395	1.2
79.05492	14.7
81.03413	1.4
81.07054	35.4
83.04971	3.0
83.08613	20.5
85.06553	7.9
88.96906	1.8
90.94804	7.7
91.05478	33.1
92.05810	1.3
93.07045	25.7
95.04954	3.7
95.08602	55.5
95.91205	1.1
97.02873	1.6
97.06505	2.8
97.10162	4.9
98.97582	10.0
99.08064	3.0
99.97926	1.1
103.05440	1.2
105.07022	28.2
107.08594	24.0
108.95861	4.0
109.06509	3.8
109.10157	22.6
111.08069	4.9
111.11768	1.6
111.98536	1.3
113.09650	9.0
115.05437	3.1
116.06234	8.3
116.98603	7.4
117.07017	3.9
119.04932	8.5
119.08575	25.3
121.10143	19.3
123.08074	4.3
123.11722	10.1
123.75303	1.1
125.09668	6.7
125.13309	1.3
125.86703	1.1
126.98431	1.1
128.06212	1.4
128.96365	2.0
129.06999	10.6
130.97897	1.3
131.07579	2.2
131.08565	44.5
131.98672	1.1
132.08847	1.3
133.06474	1.7
133.10118	12.9
134.99634	5.5
135.08046	2.0
135.11703	10.1
137.09605	8.4
137.13266	3.5
138.98412	2.0
139.11139	2.1
141.06905	1.3
142.07736	2.0
142.97946	1.4
143.08542	4.8
145.10136	7.6
146.97409	1.5
147.08066	6.5
147.11676	8.0
148.98885	1.3
149.09630	6.2
149.13248	19.1
150.96828	1.6
151.02023	4.0
151.11136	3.2
151.14767	1.6
154.00807	1.3
155.08540	2.6
156.09328	3.9
157.10089	6.6
158.99623	4.4
159.00873	1.5
159.08046	100.0
159.11655	9.4
160.08395	2.2
161.09560	3.1
161.13257	12.0
163.11165	1.5
163.14793	4.1
164.99960	1.4
167.08569	1.4
167.14330	4.9
169.10095	3.1
171.11714	6.5
173.09566	1.8
173.13246	3.0
175.11266	1.6
175.14804	7.7
177.00722	11.0
183.11717	3.8
185.13214	4.2
185.14830	1.3
187.11134	2.1
189.12721	4.2
189.16399	4.1
193.10153	2.2
195.11737	1.8
197.13252	5.3
198.13727	1.5
199.11198	5.4
199.14795	4.9
201.12807	2.8
203.17981	1.7
205.19559	2.2
206.10992	1.3
207.11682	2.7
210.10564	1.4
211.11163	1.6
211.14862	2.8
213.12761	2.4
215.14331	3.1
215.17917	1.6
217.15700	1.5
219.01732	2.9
221.13303	2.4
223.14890	1.6
225.12706	4.0
225.16246	2.6
239.14323	1.8
239.17987	2.9
241.05258	4.2
243.13606	2.1
245.22636	11.4
253.19412	2.6
255.06743	5.8
257.18976	3.2
263.17935	2.6
263.23663	5.9
267.06622	1.5
273.07825	49.8
274.08093	2.6
275.97589	1.4
281.18967	22.1
281.22479	6.3
281.25317	6.1
285.07745	8.0
291.08975	2.8
296.09344	4.9
299.09378	14.1
299.20010	40.6
299.23657	9.9
300.20477	1.5
308.09033	1.5
317.10394	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	299.2367
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03942	4.6
55.05505	11.2
56.96561	3.4
57.07070	20.5
61.80126	2.8
67.05493	26.7
69.07063	8.2
70.16046	13.3
71.04953	3.3
71.08621	12.0
72.08144	72.6
79.05503	23.2
81.07045	39.1
83.08601	7.0
85.10168	3.8
87.94205	3.6
91.05475	16.9
92.05779	3.4
93.07031	37.3
95.05952	3.1
95.08603	32.6
98.20892	3.0
98.97568	7.1
101.90577	3.1
105.07016	38.3
107.08574	21.7
109.10141	15.7
116.98607	10.1
117.07018	12.2
119.08560	20.8
121.06491	3.2
121.10151	18.7
123.08049	4.1
123.11674	9.6
125.06051	3.4
129.06967	5.4
131.08551	19.6
133.10127	28.1
134.99628	8.6
135.11699	10.6
143.08534	12.8
145.10109	20.0
147.11717	14.7
149.09586	5.3
149.13246	7.3
153.01801	3.5
155.08537	6.3
157.10106	16.2
159.11662	36.2
161.13254	11.7
169.10146	7.6
171.11687	16.6
173.13229	14.9
175.11185	4.2
175.14781	9.2
177.12688	4.5
181.10080	3.3
183.11713	7.0
185.13248	14.3
187.14822	15.1
189.12708	4.2
197.13268	8.2
199.14801	15.0
201.16357	5.3
201.71761	3.0
203.14320	3.6
211.14851	11.3
213.16254	3.8
225.16371	11.2
227.17850	3.1
239.17912	12.0
241.19518	5.4
252.96605	4.2
253.19456	5.6
275.97617	5.9
281.22632	100.0
281.26245	5.2
282.27939	52.2
293.98621	5.2
299.20114	9.3
299.23621	99.0
299.30508	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76057	2.3
55.05506	23.2
56.96540	4.2
57.03438	2.9
57.07054	9.2
67.05499	40.2
69.03428	8.9
69.07060	33.8
69.58571	3.2
70.06562	2.7
71.04980	9.1
71.58623	3.0
71.59081	4.8
73.70589	2.4
79.05476	10.7
81.03403	4.1
81.07050	47.8
83.04967	6.5
83.08615	18.8
84.08118	4.0
85.06541	18.1
87.04467	3.4
89.30186	2.8
91.05453	12.9
93.07034	23.8
95.04979	7.5
95.08599	100.0
97.02899	2.9
97.06514	6.7
97.10173	10.1
100.94675	2.8
105.07011	21.4
106.24690	2.4
107.08592	23.0
109.06478	4.4
109.10138	26.8
110.18296	2.8
111.08073	6.1
111.11736	3.0
112.27094	2.6
113.09689	4.9
116.98613	4.8
117.07003	4.1
119.08578	12.5
121.02824	3.1
121.06504	3.0
121.10152	15.6
123.08065	5.6
123.11678	11.3
128.06126	4.2
129.06998	3.8
131.08549	5.0
133.10118	12.5
134.99644	3.9
135.11684	9.9
137.05934	6.3
137.09645	3.3
137.13269	6.8
139.27042	2.5
143.03320	5.0
143.08504	6.6
145.10071	10.5
147.11673	10.3
149.09631	5.7
149.13255	9.4
153.01804	42.2
153.07022	5.0
157.10100	3.6
159.11703	7.4
161.05881	3.4
161.13261	6.4
163.14827	4.9
169.10074	3.0
171.11636	5.6
173.13261	3.3
175.14804	4.2
182.07234	2.7
187.11198	3.6
189.12720	8.8
189.16408	6.5
196.08879	2.7
197.06013	3.7
198.06619	3.9
201.62529	2.7
211.07547	5.3
211.14836	3.1
213.05479	4.5
225.05174	3.3
225.09079	4.1
227.06862	2.9
239.07021	13.9
240.07739	5.8
241.05223	3.6
245.22728	4.8
253.08479	4.0
256.07233	4.4
263.23721	8.3
267.06512	4.8
267.09848	4.0
268.07309	4.5
271.20670	5.0
281.18961	3.0
281.24713	8.4
285.07510	6.7
299.02103	3.4
299.05630	4.7
299.09177	19.1
299.12711	12.8
299.19977	11.3
299.23279	8.6
299.25797	13.8
300.09903	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	299.237
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
50.83072	1.6
51.85114	1.9
53.03944	2.7
55.01875	2.3
55.05510	9.4
55.93520	10.3
56.94292	4.9
56.96554	5.0
57.07075	8.7
57.17781	2.0
59.04992	2.7
61.39314	1.6
67.05511	18.6
67.49310	1.6
69.03425	3.2
69.07061	9.8
70.95855	7.2
71.04987	9.5
71.60129	2.1
71.92989	2.7
72.93787	17.3
79.05489	13.4
81.03428	3.1
81.07053	48.1
83.04986	2.0
83.08611	7.3
85.06547	28.3
85.99333	1.7
88.96876	3.8
90.94810	16.6
91.05476	19.6
93.07045	25.3
93.15485	1.8
95.04951	5.2
95.08608	28.9
97.06553	2.5
97.10120	2.1
98.97559	13.2
105.07033	32.7
107.08582	22.2
108.95875	5.9
109.06538	3.8
109.10148	18.2
111.04432	1.9
111.08101	4.6
113.09635	3.0
113.96383	2.4
116.96373	2.4
116.98629	15.7
117.07009	7.4
119.08574	25.4
119.29495	1.7
121.10148	9.2
123.04425	1.7
123.08056	3.2
123.11692	5.3
125.09653	2.4
125.78976	2.0
128.06165	2.5
128.96318	2.4
129.06973	6.4
130.07761	2.7
130.64706	1.8
131.08551	25.5
133.10133	25.9
134.99643	9.6
135.08011	3.0
135.11678	10.2
137.09657	3.8
138.98431	3.0
141.06975	3.3
142.07765	3.7
143.08556	11.8
144.09315	3.2
144.99501	2.9
145.10120	18.7
146.97424	2.7
147.08051	2.8
147.11691	18.9
148.98940	4.8
149.13255	13.6
151.02005	9.3
151.11189	2.1
153.01819	3.2
155.08539	3.0
156.09315	4.7
157.10132	11.9
158.99626	6.7
159.00931	3.3
159.08139	2.2
159.11690	26.2
161.13254	24.2
162.96930	2.7
164.99959	3.7
169.10170	5.8
170.10921	2.2
171.11726	13.6
173.13248	12.0
175.02098	3.5
175.14763	9.3
177.00711	15.2
179.05168	3.5
183.11667	4.5
183.98241	2.2
184.01834	2.7
185.13286	12.0
187.14803	6.4
189.12747	11.8
195.01875	2.3
197.13272	6.0
199.00639	1.9
199.11043	2.6
199.14835	12.2
201.16397	3.3
208.55260	1.9
210.14111	2.4
211.14784	8.7
213.16386	2.1
215.17860	3.2
217.15842	3.8
219.01727	5.1
225.16376	8.1
229.05269	2.7
237.02715	2.3
239.17912	3.1
241.05133	7.3
241.19569	5.2
243.13832	4.5
253.05183	2.7
253.19559	2.3
255.06747	11.7
255.21043	6.2
267.06891	2.8
271.06119	2.7
271.17007	4.7
271.67084	4.7
273.07834	100.0
274.08124	6.3
281.22610	37.1
281.25558	2.5
285.07864	18.5
291.08887	5.9
296.09473	11.1
299.09427	27.8
299.20035	14.1
299.23694	44.9
308.09320	2.6
317.10410	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	299.2003
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
53.03930	1.2
55.01862	1.5
55.05499	3.7
56.96553	2.2
67.05492	6.2
69.03406	1.2
69.07065	4.5
69.61001	5.7
71.01329	1.0
72.96986	0.8
77.00938	0.9
79.05481	6.2
81.03404	12.3
81.07043	8.7
83.04973	1.1
83.08621	2.2
85.02893	1.2
85.06503	0.9
91.05463	5.5
93.07039	12.1
95.01957	1.0
95.04948	7.3
95.08598	6.9
97.02872	3.3
97.06498	1.6
98.20701	2.0
98.97578	1.3
103.05471	1.0
105.07024	9.4
107.04951	2.1
107.08596	10.1
109.06493	3.9
109.10131	3.8
110.08759	1.0
112.92904	0.9
115.05506	1.2
116.98612	3.8
117.06993	1.9
119.04873	1.6
119.08567	28.3
121.06480	4.8
121.10120	15.2
123.08057	6.1
131.08516	4.5
133.06487	1.4
133.10095	17.8
134.99646	2.7
135.08037	12.8
135.11678	11.9
137.09641	1.6
141.06998	1.5
143.08553	3.0
144.09264	1.1
145.10098	8.1
147.08043	2.0
147.11649	4.7
149.09633	2.4
149.13165	2.3
152.77570	0.9
153.31497	1.0
155.08522	1.3
156.09331	1.0
157.10094	2.9
159.11731	5.6
161.09604	2.0
161.13239	2.1
163.11150	24.5
169.10072	1.8
171.11661	2.5
173.09644	1.4
173.13231	1.7
175.11211	1.7
177.12729	47.8
181.10182	1.4
183.07968	1.2
183.11649	2.7
185.09702	1.3
185.13161	1.7
187.11162	2.6
189.12735	6.5
191.14293	9.6
197.13245	4.4
199.14804	2.9
201.12721	1.8
203.14362	1.9
203.17923	5.9
205.15845	1.0
207.11757	1.1
211.11127	2.2
211.14729	1.0
213.12845	1.0
213.16428	1.2
215.14388	1.1
215.17941	3.9
217.15938	1.8
225.12677	2.0
237.16333	1.4
239.87059	1.0
243.13959	1.1
253.15852	1.2
253.19377	5.2
255.17390	2.2
263.17911	1.8
266.16644	1.3
271.20505	2.8
271.66904	0.9
275.97729	1.1
279.72491	0.9
281.18991	15.8
293.98679	1.4
299.20035	100.0
300.20438	1.5
317.19467	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	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03937	2.2
55.05507	12.5
55.15366	1.2
55.93518	4.1
56.66348	1.2
56.94300	1.6
56.96553	2.9
57.07067	4.6
67.05494	12.2
69.03399	1.4
69.07062	15.7
70.93476	2.5
70.95853	4.1
71.04983	4.9
71.08632	1.4
72.08125	1.5
72.93780	9.1
75.32957	1.1
78.88122	1.1
79.05488	10.0
79.07846	1.1
81.07048	29.5
83.04977	3.3
83.08604	13.1
85.06550	4.8
88.96893	2.1
90.94321	1.4
90.94799	7.0
91.05474	36.6
93.07032	19.0
95.04982	1.7
95.08595	38.7
97.06531	2.0
97.10163	3.9
98.97585	3.9
99.08109	1.2
105.07021	27.3
107.08588	22.9
108.95866	3.6
109.06516	2.5
109.10145	15.3
111.08083	3.2
113.09645	6.1
115.05446	2.0
116.06237	8.0
116.74711	1.3
116.98614	4.5
117.06976	2.3
119.04981	5.5
119.08575	20.6
119.09346	2.0
121.06490	3.2
121.10126	14.4
122.97443	1.5
123.08076	4.4
123.11718	10.3
125.09615	7.3
128.06209	1.6
128.96342	2.1
129.06979	10.6
131.08556	47.3
133.06470	2.4
133.10129	10.8
134.97440	1.8
134.99651	3.6
135.08061	2.9
135.11656	8.9
136.95280	1.3
137.09641	5.8
137.13286	3.0
139.11218	2.1
142.07864	1.4
143.08580	5.7
144.99483	1.9
145.10123	6.5
146.97426	2.2
147.08037	3.7
147.11693	6.2
148.98920	1.8
149.09648	5.0
149.13243	13.3
150.96941	1.3
151.02080	4.6
151.11211	2.0
151.14828	1.3
153.01865	3.3
155.08539	4.3
156.09364	3.2
157.10143	7.1
159.01096	1.9
159.08040	100.0
159.11627	7.7
161.09608	3.3
161.13217	5.9
162.96875	1.4
163.14844	3.4
167.14351	3.6
169.10161	3.9
171.11682	6.3
173.13272	3.4
175.02129	2.3
175.11162	1.8
175.14822	4.2
177.00734	3.2
179.05161	2.0
180.99576	2.1
181.10104	2.1
183.11734	4.6
184.01834	1.4
185.13295	2.6
185.15181	1.3
187.11197	1.5
189.12782	4.2
189.16394	2.6
193.10120	2.1
195.11684	1.3
196.12531	1.3
197.13255	3.3
199.11179	8.8
199.14835	2.2
201.12746	1.7
206.10895	2.0
207.11710	1.8
211.11205	1.8
211.14888	2.6
215.18016	1.4
220.12508	1.4
221.13235	2.6
223.14742	1.5
225.12764	3.3
225.16374	1.6
226.80209	1.3
233.13300	1.7
237.16518	1.3
239.14323	2.0
239.18118	1.5
241.05273	3.8
243.13789	2.2
245.22577	6.9
253.19527	1.3
255.06709	6.5
257.19052	2.2
263.17905	3.5
263.23773	4.7
267.06818	1.5
273.07822	49.7
274.08301	2.2
275.90311	1.8
275.97723	2.3
281.19046	21.1
281.22217	1.6
281.24786	5.1
285.07730	7.4
291.08957	3.5
296.09467	5.7
299.09381	14.4
299.16663	1.9
299.20120	41.0
299.23685	8.6
317.10577	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	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.77252	0.7
53.03950	0.7
55.01866	0.8
55.05502	4.7
55.93521	1.9
56.94301	1.5
56.96558	1.1
57.07076	1.4
67.05496	8.5
69.03419	1.3
69.07053	2.9
70.50331	2.1
70.50681	1.5
70.95856	2.2
71.04978	1.6
72.93781	5.0
75.91151	0.8
79.05479	8.5
81.07050	13.3
83.08635	1.0
84.61378	0.7
88.96880	0.9
90.94832	4.0
91.05476	14.7
93.07031	11.8
95.04962	2.7
95.08598	10.2
95.78580	0.7
98.97598	1.3
103.05501	1.1
105.07021	42.0
107.04903	1.1
107.08582	8.3
108.95850	1.6
109.06519	2.1
109.10139	9.2
111.04459	2.1
115.05481	1.1
116.98634	0.9
117.07003	3.4
119.08568	19.1
121.06504	1.0
121.10123	6.4
123.08072	2.3
125.06005	1.0
128.96358	1.0
129.06998	2.1
130.97931	1.1
131.08542	10.7
133.10117	100.0
134.10854	1.4
134.97351	1.0
134.99669	1.9
135.08014	1.5
135.11688	2.5
142.07759	1.7
143.08521	2.1
144.99530	1.3
145.10103	6.7
146.10820	1.1
146.97386	1.0
147.08031	1.9
147.11674	11.4
148.98926	1.1
149.09589	1.2
151.02034	2.6
151.07503	1.7
153.01799	1.7
155.08574	2.3
157.10091	5.6
159.11676	8.6
161.09700	1.6
161.13229	1.7
162.96916	1.0
169.10168	3.3
171.11697	2.5
171.34599	0.9
173.09616	1.1
173.13248	4.6
175.14839	1.6
183.11693	2.5
185.13199	1.6
187.11209	1.2
189.12805	1.2
195.11710	0.9
197.13297	3.0
199.14825	1.9
201.16417	4.7
205.12268	1.5
211.11176	0.8
211.14851	1.7
225.12732	1.3
239.14272	2.2
239.17953	2.3
241.05173	1.2
253.19514	1.7
255.06767	2.3
257.15280	1.3
263.18073	0.9
273.07822	22.8
274.08066	1.5
275.97729	1.9
281.19000	4.2
285.07809	4.4
291.08893	1.8
296.09595	3.1
299.09317	5.5
299.16724	0.9
299.20068	18.5
299.23654	2.6
317.10489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08973	1.3
55.01885	1.3
55.05495	3.9
55.93523	7.0
56.94301	3.3
56.96562	1.9
57.07070	7.6
57.95564	1.1
59.04999	2.7
64.74298	1.2
67.05500	8.5
69.03419	1.8
69.07058	4.5
69.58212	1.3
70.95856	6.3
71.04987	5.9
71.59039	1.3
71.59444	1.8
71.93022	2.5
72.93781	15.6
79.05489	4.5
81.03429	1.9
81.07044	12.8
83.04967	1.2
83.08620	1.8
85.06522	3.7
88.96893	2.2
90.94815	13.3
91.05468	8.4
93.07027	6.8
95.04961	3.0
95.08598	6.7
97.10168	1.6
98.97561	1.8
102.94801	1.8
105.07025	8.1
107.04901	1.3
107.08588	5.6
108.95847	9.6
109.06499	2.2
109.10135	5.1
113.96406	1.7
116.98594	3.9
117.07065	1.5
119.08556	7.7
121.06491	1.9
121.10120	3.2
122.97398	2.3
123.08043	2.2
126.98415	2.3
128.96347	3.1
130.97902	1.9
131.08556	4.4
131.98645	2.1
133.06549	1.5
133.10121	5.4
134.99663	3.7
135.08109	1.6
135.11674	2.9
136.95319	2.1
138.98396	1.8
140.99962	1.8
142.97827	1.8
143.08557	3.5
144.09290	1.6
144.99474	2.7
145.06506	1.4
145.10101	4.0
146.97411	3.3
147.08086	1.7
147.11636	3.2
148.98999	3.6
150.96918	1.3
151.02061	8.6
151.07568	2.2
151.97636	1.4
154.97945	2.2
156.09268	1.5
156.99472	1.7
157.10138	3.1
159.08063	2.5
159.11699	4.9
160.14256	1.3
160.50447	1.3
161.09581	2.0
161.13245	2.9
162.96806	1.4
164.99948	2.4
165.03667	1.5
169.10179	1.8
170.97420	1.5
171.11717	3.3
172.99181	1.6
179.05220	2.9
184.01848	3.1
184.98984	2.1
185.13322	2.6
187.00587	1.9
189.12709	1.6
195.11717	1.9
197.13220	1.4
199.11151	2.0
199.14729	2.1
201.12735	1.7
216.51013	1.5
225.16261	1.7
229.05403	1.4
241.05164	9.7
241.15703	1.4
243.13783	3.0
253.05367	1.4
255.06700	12.8
257.08163	1.6
259.06406	1.6
262.16336	2.2
267.06833	5.4
271.06570	1.6
271.16849	2.2
273.07813	100.0
274.08038	3.2
279.03766	2.2
281.19073	3.1
281.22577	2.5
285.07755	15.4
290.19507	2.5
291.08972	6.2
296.09375	11.7
299.06042	1.4
299.09338	21.5
299.20004	9.0
299.23611	6.1
313.11310	1.4
317.10495	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
52.87044	0.3
58.64442	0.2
67.05505	0.3
69.03425	0.4
70.19616	1.3
78.27180	0.2
79.01852	4.3
79.86299	0.2
81.03404	0.3
81.07046	0.3
83.04977	2.3
85.02930	0.6
86.86835	0.3
97.02884	1.1
103.57218	0.3
107.01283	0.8
110.77306	0.3
111.04436	3.9
123.00829	0.3
125.02349	3.7
127.03880	0.3
129.05443	0.5
143.03389	8.9
153.01822	100.0
153.02783	3.8
154.02126	1.4
171.02962	0.3
173.06012	0.4
179.03369	1.2
181.01312	0.9
195.02885	0.4
201.05479	1.1
207.02882	3.7
217.05110	0.4
219.06499	2.0
221.04430	0.6
223.02339	0.9
235.05962	0.6
236.24704	0.2
237.03938	0.7
245.04442	0.5
245.09668	0.3
251.05554	0.4
263.05612	0.7
281.06570	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	299.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.2
51.02373	0.4
52.52866	0.2
55.05495	0.5
56.90198	0.2
56.96540	0.5
59.56728	0.2
67.05517	0.5
68.99779	0.2
69.03413	0.7
69.07050	0.5
69.89511	1.2
79.01398	0.2
79.01849	4.2
81.07047	0.7
83.04974	2.4
85.02904	0.5
85.06557	0.4
91.05460	0.4
93.07021	0.3
95.04964	0.3
95.08586	0.6
97.02862	0.7
98.20785	0.3
105.07053	0.5
107.01317	1.1
107.08613	0.3
109.10139	0.4
111.04438	4.0
119.08579	0.3
120.68164	0.2
121.10159	0.3
123.00764	0.2
123.11721	0.2
125.02332	3.5
129.05490	0.5
135.69380	0.2
143.03387	8.3
144.03741	0.3
145.06526	0.3
147.04439	0.3
151.03862	0.3
153.01820	100.0
153.02794	3.9
154.02122	1.8
158.44139	0.2
159.04402	0.2
163.03946	0.3
173.05980	0.4
175.04079	0.3
179.03400	1.1
181.01242	1.0
191.07005	0.3
201.05502	0.9
207.02876	3.9
209.04439	0.3
217.04910	0.4
219.06554	2.4
221.04442	1.0
223.02383	0.8
235.05949	0.4
237.03989	0.6
245.04428	0.4
256.07272	0.3
263.05515	1.0
267.09030	0.3
268.07196	0.2
271.02408	0.3
281.06546	3.4
285.10095	0.5
299.05399	0.5
299.08862	0.3
299.12485	0.2
299.20261	0.4
299.23477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02367	0.7
51.42504	0.3
55.01853	0.4
55.05487	0.4
67.05488	0.5
69.03417	0.6
70.18815	0.6
70.19229	0.9
76.00243	0.3
79.01842	4.4
83.04971	2.2
85.02896	0.7
96.94820	0.3
97.02870	0.8
105.20982	0.3
107.01309	0.6
111.04423	3.6
123.00764	0.3
125.02344	3.5
129.05426	0.4
143.02275	0.6
143.03380	9.0
145.06442	0.4
153.01810	100.0
154.02142	1.4
158.53496	0.3
173.05911	0.3
179.03409	1.2
181.01299	1.1
201.05490	0.8
207.02885	3.1
219.06538	2.1
221.04446	0.7
223.02393	0.8
235.05981	0.3
237.03859	0.4
245.04446	0.5
257.59943	0.3
263.05518	0.9
281.06552	2.7
299.07785	0.3
299.12875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0964
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01143	4.7
69.03420	0.4
75.02690	1.8
96.64238	0.2
97.02879	1.3
98.21119	1.8
103.02144	0.4
111.05463	0.3
113.85619	0.2
119.03531	0.7
119.66990	0.3
136.06169	100.0
137.04648	0.6
137.06532	0.9
142.85257	0.3
145.03201	1.3
163.04210	1.4
229.25827	0.3
243.40656	0.3
274.81912	0.3
298.09702	3.0
318.57077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0533
Annotation	3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
Peak:m/z	Relative Intensity
51.02370	0.1
53.00321	0.1
53.03941	0.2
53.10221	0.1
55.01865	3.8
55.05490	0.1
57.08915	0.1
59.04993	0.5
65.03922	0.2
67.01852	0.1
68.99773	2.0
69.03411	0.5
69.07048	0.1
70.06601	0.1
79.01849	1.1
81.03409	1.5
81.07027	0.1
83.04953	0.2
84.08126	0.1
85.06352	0.1
89.03907	0.3
91.05459	0.1
92.99742	0.6
95.01263	0.1
96.54049	0.1
97.02880	1.1
99.00793	1.0
99.80853	0.1
104.36541	0.1
107.01321	0.1
107.04927	0.2
109.02852	0.5
111.00765	0.1
112.11217	0.2
113.02349	0.1
117.01831	0.2
117.03352	0.3
121.02822	0.2
122.03012	0.1
123.00732	0.3
125.02342	0.2
127.03905	0.4
135.04398	3.0
137.02324	9.7
137.73067	0.1
139.03947	0.1
141.01804	9.6
142.02245	0.1
143.03337	0.2
147.04384	0.1
153.01807	2.2
154.02113	0.2
155.02278	0.3
155.03416	0.5
161.05873	0.1
163.03874	0.4
165.01808	29.9
166.02165	0.4
167.03442	0.1
175.03847	0.1
177.05400	0.1
183.02859	35.6
184.03192	0.5
185.04311	0.1
197.05916	0.1
201.05322	0.1
203.03333	0.2
221.04395	0.3
225.05521	0.1
227.06989	0.1
229.04950	0.1
243.06638	0.1
245.04366	0.1
245.65109	0.1
253.04796	0.1
271.05960	0.6
272.82394	0.1
299.05444	100.0
300.05923	3.2
314.59863	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	297.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01864	0.9
55.05505	16.7
56.96555	2.0
57.03413	0.9
57.07069	12.8
59.04998	5.1
61.55107	0.6
65.03965	0.7
67.05498	12.4
69.03108	0.6
69.03416	3.5
69.07060	100.0
69.95487	3.6
70.07392	3.1
71.04981	2.0
71.08627	5.7
73.06554	0.7
79.05473	5.6
81.03423	1.9
81.07048	32.2
83.04959	1.0
83.08610	19.4
83.09107	1.0
85.02895	0.9
85.06536	5.4
85.10173	1.2
91.05473	2.8
93.07031	12.4
95.04960	1.1
95.08596	30.5
97.02919	0.7
97.06516	3.6
97.10152	6.9
98.97588	1.6
99.08071	2.8
104.66171	0.6
105.07017	2.8
107.08586	11.8
109.02835	0.8
109.06496	1.1
109.10146	18.6
111.08089	3.4
111.11707	16.0
113.09621	1.0
115.07543	1.1
116.98610	2.0
117.06999	0.8
119.08575	1.4
121.06457	0.9
121.10120	9.1
123.11696	10.0
125.09601	1.2
125.13272	1.1
127.03907	1.2
127.11206	0.7
129.99458	0.6
131.00734	1.2
131.08551	1.2
133.10109	1.0
134.99649	2.2
135.07994	1.0
135.11667	6.7
136.06187	1.0
137.13234	6.8
139.11159	6.2
143.00716	0.9
143.81261	0.6
145.10091	1.0
149.13251	7.8
151.14815	3.0
153.01820	7.5
153.12712	3.0
157.02156	0.7
157.10158	0.9
159.08148	0.6
159.11743	0.8
163.14798	1.7
165.16380	1.5
167.14316	3.2
169.10123	0.7
177.16359	1.7
179.17920	0.9
191.18005	1.6
195.11702	0.7
199.06917	1.8
200.07291	5.1
205.19429	1.6
209.18956	1.6
241.75188	0.6
261.25778	2.2
265.08429	1.4
274.97412	1.1
279.23422	1.2
279.26730	7.9
292.98547	1.0
297.06140	0.9
297.10629	2.6
297.18402	1.6
297.27838	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	297.2785
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	1.9
55.05505	18.6
56.96565	2.0
57.03424	1.3
57.07069	13.0
58.07386	0.8
59.05000	7.7
64.55466	0.6
67.05496	13.8
69.03423	3.5
69.07059	100.0
70.07391	3.3
70.39201	2.5
71.04983	2.4
71.08619	6.0
73.06555	1.9
79.05492	6.6
81.03413	1.7
81.07047	39.9
83.04974	1.7
83.08604	24.1
85.02903	0.8
85.06536	5.1
85.10142	0.9
91.05474	3.3
93.07034	16.0
95.04954	1.6
95.08592	34.9
97.02863	0.7
97.06529	5.4
97.10165	5.8
98.97590	0.9
99.04455	1.0
99.08098	2.6
101.06007	0.7
105.07030	2.5
107.08582	13.2
109.02885	0.8
109.06479	0.9
109.10139	22.9
111.08064	4.2
111.11699	16.8
111.12422	1.2
113.09615	1.4
115.07504	1.3
116.07902	0.9
116.98624	1.9
119.08566	1.5
121.10137	8.1
123.11688	12.3
125.09595	1.2
125.13250	1.3
127.03915	1.0
129.12769	1.0
131.08575	1.1
133.10138	0.9
134.99649	2.6
135.08009	0.9
135.11685	8.1
136.06163	1.4
137.13246	12.8
139.11179	3.6
141.28845	0.7
143.03432	0.7
145.10147	1.2
147.11671	1.1
149.13231	7.6
151.14792	2.9
153.00681	1.4
153.01808	8.3
153.12733	6.2
159.11588	0.7
161.13208	0.8
163.14818	2.0
165.16364	1.4
167.14304	1.9
177.16376	1.3
191.17964	1.4
194.07030	0.8
199.07005	1.6
200.07256	3.8
205.19469	1.9
209.19034	1.3
223.20700	1.1
261.25641	1.7
265.08368	0.9
274.97330	1.2
276.60257	0.7
279.23419	1.3
279.26721	8.4
292.98502	1.2
295.00269	0.7
297.10855	2.4
297.18677	1.4
297.22052	1.0
297.27805	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.35672	4.1
55.05492	15.5
57.07065	18.8
59.56316	4.1
62.06086	4.0
63.98102	3.8
65.03949	4.5
67.05499	32.5
69.07058	34.4
69.40836	28.1
69.41243	7.9
69.41482	4.9
69.54873	3.8
70.07386	12.0
70.47577	4.5
70.55929	4.2
71.08628	100.0
79.05485	14.5
81.07045	44.2
83.04971	4.6
83.08611	11.1
87.74004	3.9
89.56596	3.5
91.05471	18.0
93.07027	18.1
95.08601	33.7
97.06558	8.1
97.10162	5.7
97.52649	3.9
98.20726	5.2
98.97586	4.4
99.08080	83.5
105.07011	16.7
107.08568	14.2
109.10149	10.3
113.09549	4.3
115.07539	4.9
116.98598	10.1
119.08580	14.9
121.10132	13.1
123.11700	9.5
127.11195	5.9
131.08496	7.3
133.10129	4.9
134.99626	9.8
135.11656	9.4
136.06139	5.4
137.13307	6.4
147.11676	35.9
149.13228	5.7
153.12759	7.8
159.11714	5.3
163.11133	6.3
163.14804	15.9
165.12793	9.6
167.14343	5.2
173.13206	6.1
200.07295	10.3
214.10793	4.3
243.21143	9.0
261.22208	11.6
274.97372	7.5
279.23160	49.1
292.98688	10.6
297.10034	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	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02380	0.5
53.00298	0.2
53.03928	0.2
55.01866	0.7
55.05504	0.2
57.07056	0.3
58.07409	0.1
61.02908	0.2
62.40307	0.1
67.05491	0.2
69.03413	0.9
69.07071	0.7
70.06596	0.1
70.07381	0.2
71.04987	0.3
71.59024	0.2
71.59464	0.2
72.08145	1.4
77.03943	0.1
79.01842	5.1
79.05473	0.3
81.03416	1.1
81.07056	0.3
83.01315	0.4
85.02896	0.2
87.00833	0.1
91.05481	0.3
93.03445	0.2
93.07030	0.4
95.01315	0.1
95.05006	0.2
95.08601	0.4
97.02878	9.0
98.03180	0.1
99.04450	1.2
103.05460	0.6
105.07016	0.3
107.01286	1.1
107.04948	0.3
107.08623	0.1
109.02866	1.2
115.05433	0.3
115.07567	0.1
119.04936	0.7
121.02921	0.1
121.06525	0.2
123.00781	0.3
125.02335	4.3
125.03258	0.2
127.03899	1.4
131.04913	2.3
133.02817	0.4
133.06500	0.1
135.04440	0.2
137.02325	0.4
139.03955	0.3
143.03374	9.1
145.02885	0.1
147.04391	0.9
149.05981	0.2
151.03871	0.5
153.01807	100.0
153.02782	4.2
154.02126	1.2
156.68668	0.2
159.04396	3.1
159.05626	0.3
161.02437	0.2
161.05991	0.3
163.03879	2.1
165.01854	0.6
165.05460	0.4
167.03429	0.2
171.02928	0.4
171.04292	0.3
175.03899	1.1
177.01825	0.4
177.05444	1.7
179.03331	1.7
179.06984	0.3
181.01279	2.0
183.02856	1.3
187.03871	1.4
191.03329	2.3
193.01260	0.3
193.04898	0.6
194.02733	0.2
195.02861	1.7
197.00784	0.5
199.03894	0.3
199.06860	0.2
200.07320	0.5
203.03391	0.5
205.04933	5.5
207.02856	5.1
208.03465	0.2
209.04407	0.9
211.02328	1.0
213.05504	0.1
215.03391	1.1
217.04927	0.5
219.02919	0.6
221.04381	2.8
221.06326	0.2
222.06650	0.2
223.02359	3.9
223.05785	0.2
231.02821	0.3
233.04405	5.2
233.06671	0.3
235.02345	0.6
237.03893	1.7
237.09134	0.2
243.02861	0.2
249.03960	1.5
251.05507	0.3
261.03897	1.7
265.08514	0.3
267.05035	1.0
279.04932	0.9
279.20789	0.2
280.19107	0.1
297.06003	8.8
297.10751	0.6
297.21927	0.4
298.06296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1843
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
50.98118	0.8
53.03928	2.4
55.01859	1.8
55.05500	7.3
56.96540	2.4
57.07062	6.1
65.03917	2.3
67.05496	13.8
69.03434	1.1
69.07050	7.3
69.77880	2.6
69.78307	3.1
70.07390	1.7
71.08610	1.6
79.05054	1.3
79.05482	18.3
81.03396	1.3
81.07043	14.7
83.04971	13.1
83.08601	1.5
91.05463	11.3
93.03365	1.7
93.07029	9.6
95.04969	4.0
95.08585	8.9
97.06504	6.5
98.97564	4.4
99.04442	1.5
105.03372	1.8
105.07008	10.8
107.04929	1.6
107.08569	9.0
109.02877	0.8
109.06462	1.5
109.10132	3.5
111.04424	24.3
111.08079	1.4
111.31130	0.9
115.05441	1.3
116.07887	1.3
116.98597	7.0
117.07005	5.3
119.08559	10.2
121.06507	0.7
121.10094	5.0
125.05969	16.0
128.06227	2.8
129.06978	6.2
130.07809	1.9
131.00705	1.0
131.08568	11.7
133.10107	13.4
134.99622	8.6
135.11679	1.2
139.07526	3.1
141.06947	2.3
142.07761	7.9
143.00670	1.1
143.08534	18.1
144.09363	4.3
145.10103	15.3
147.11653	4.6
149.05988	4.1
153.00668	2.5
153.01796	0.9
153.06927	1.2
153.09021	1.3
155.08530	5.1
156.09369	5.8
157.10103	33.2
158.10887	6.0
159.08020	1.5
159.11668	16.5
165.07010	2.6
166.07602	1.4
167.08562	4.1
168.09314	1.7
169.10103	8.3
170.10870	5.7
171.11662	21.3
172.12456	5.9
173.09717	1.1
173.13242	7.2
179.08548	3.3
180.09303	2.5
181.10139	4.2
182.10924	1.5
183.11664	6.4
184.12402	3.2
185.09561	1.3
185.13231	24.3
186.13985	5.5
187.14778	10.0
189.09111	1.0
191.10475	1.4
193.10176	1.5
194.10890	2.5
195.11678	9.4
196.12430	1.5
197.13139	4.8
199.07111	1.1
199.14807	13.6
200.07307	3.4
200.15578	11.6
203.10661	1.6
204.09265	1.2
207.11522	1.1
208.12473	1.2
209.13208	6.3
211.14764	2.9
213.12697	2.2
215.10580	1.1
215.14288	0.9
221.13329	0.9
222.13733	0.8
222.60205	0.8
223.11128	2.7
223.14821	2.7
225.16255	1.7
227.10640	1.2
229.12146	1.9
237.12645	4.3
237.16251	1.0
241.12198	16.1
250.89435	1.3
251.18021	2.7
255.13766	23.1
269.15347	5.2
274.97437	6.8
279.17419	2.4
292.98486	5.8
297.18457	100.0
298.18686	3.2
315.99857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0602
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.02382	0.4
53.03950	0.2
55.01876	0.6
55.93317	0.2
61.79336	0.2
65.27912	0.2
69.02148	0.2
69.03423	0.8
69.07051	0.6
69.50971	0.3
70.70975	0.3
70.85715	0.2
70.98906	0.2
71.05005	0.3
71.35262	0.4
71.35609	0.2
73.35066	0.2
79.01846	5.6
81.03400	0.8
97.02274	0.5
97.02888	8.2
99.04440	0.9
103.05433	0.7
107.01320	1.0
109.02870	1.0
119.04948	0.4
120.13921	0.2
125.02342	4.1
127.03907	1.0
131.04906	2.5
133.02902	0.3
137.02287	0.4
139.03867	0.7
143.03387	8.5
147.04388	0.9
151.03926	0.4
153.01819	100.0
153.02803	4.2
154.02170	0.9
159.04404	3.4
163.03886	1.6
165.01720	0.6
165.05475	0.4
171.02928	0.4
171.04401	0.4
175.03929	1.2
177.01909	0.3
177.05464	1.8
179.03418	1.8
181.01294	2.0
183.02876	1.1
187.03900	1.5
191.03391	2.2
193.04942	0.6
195.02846	1.7
197.00757	0.7
200.07365	0.4
203.03375	0.6
205.04945	6.1
207.02888	5.0
209.04440	0.9
211.02338	1.0
215.03380	1.5
219.02837	0.6
221.04437	3.0
223.02348	4.3
231.02885	0.3
233.04440	5.6
235.02504	0.5
237.03922	1.8
249.03958	1.3
251.05408	0.3
261.03891	1.9
267.04987	1.1
279.04938	1.1
297.06055	7.5
297.09418	0.4
297.11179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.39666	0.2
55.01860	0.5
59.68010	0.2
68.99789	0.3
69.03423	0.4
69.07071	0.3
69.29768	0.9
69.30195	1.6
79.01844	4.1
80.58109	0.2
81.03388	0.7
82.46994	0.2
83.01322	0.5
91.05440	0.4
96.90053	0.2
97.02879	8.8
99.04435	1.3
103.05442	0.5
105.07014	0.3
107.01316	1.0
109.02882	1.1
119.04925	0.5
123.00790	0.5
125.02333	4.0
127.03895	1.3
131.04906	2.1
133.02837	0.4
137.02283	0.3
139.03920	0.5
143.03378	8.1
143.04509	0.5
147.04347	1.3
151.03899	0.3
153.01810	100.0
153.02773	4.0
154.02148	0.8
159.04382	3.0
163.03864	1.4
165.01881	0.5
165.05498	0.3
171.02965	0.3
171.04410	0.6
175.03839	1.1
177.01773	0.3
177.05449	1.3
179.03401	2.0
181.01308	2.0
183.02863	1.2
187.03853	1.2
191.03381	2.5
193.04900	0.7
195.02864	1.7
197.00699	0.5
200.07346	0.3
203.03406	0.6
205.04936	5.4
207.02853	5.1
209.04436	1.0
211.02365	0.7
212.21362	0.2
215.03339	1.3
219.02910	0.5
221.04376	2.6
223.02341	4.2
233.04417	4.5
235.02405	0.5
237.03922	1.3
243.02898	0.4
249.03946	1.2
251.05473	0.4
261.03882	1.5
267.04974	0.8
279.04898	0.9
297.06009	7.7
297.09412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
51.02362	0.6
53.03936	0.3
55.01858	0.6
56.05245	0.2
57.03420	0.2
57.07057	0.4
57.36728	0.2
65.03931	0.2
66.47264	0.2
67.05486	0.5
68.99767	0.2
69.03417	1.0
69.07068	1.5
70.07367	0.3
71.59064	0.3
73.02890	0.2
77.03912	0.3
79.01841	5.0
79.05493	0.5
81.03404	2.2
83.01349	0.3
85.02897	0.2
91.05457	0.4
93.07020	0.2
95.04939	0.5
97.02879	9.2
99.04451	1.0
103.05464	0.6
105.06959	0.3
107.01320	1.2
107.04918	0.6
109.02882	1.6
115.07524	0.3
119.04932	0.4
123.00752	0.4
123.04472	0.3
125.02351	4.1
127.03929	1.2
131.04904	1.9
133.02837	0.5
135.04399	0.6
137.02304	1.1
139.03865	0.4
143.03380	9.4
144.00925	0.2
147.04375	1.2
149.02402	0.3
149.06038	0.3
151.03871	0.5
153.01810	100.0
153.02809	4.2
154.02100	1.0
159.04399	3.1
161.02365	0.3
161.05963	0.4
163.03868	4.6
165.01816	0.7
165.05356	0.2
168.56639	0.2
171.02939	0.3
171.04373	0.2
175.03906	1.1
177.01813	0.5
177.05464	1.6
179.03389	1.9
179.07047	0.3
181.01335	1.6
181.04900	1.0
183.02820	1.0
187.03885	1.3
191.03360	2.5
193.05034	0.7
195.02879	1.6
197.00839	0.8
199.03955	0.4
199.07018	0.4
200.07309	0.6
203.03363	0.7
205.04951	6.0
207.02882	5.0
207.04703	0.4
209.00822	0.2
209.04457	1.0
211.02376	1.1
215.03346	1.5
217.05048	0.3
219.02882	0.5
221.04410	2.5
223.02336	4.4
223.05750	0.2
228.52910	0.2
231.02896	0.3
233.04410	4.9
235.02370	0.4
237.03905	1.7
243.02928	0.5
249.03954	1.6
251.05588	0.4
253.80283	0.2
261.03964	1.8
267.04999	1.0
279.04871	1.2
297.06317	6.6
297.07349	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	296.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93583	0.5
54.93832	7.7
55.05487	0.4
57.07062	0.9
63.68832	0.3
69.07064	2.5
69.96169	42.0
70.07375	0.8
70.07823	0.3
70.74957	0.7
70.75368	0.7
70.95838	1.3
71.94084	2.4
71.96186	0.3
82.19978	0.3
87.97208	4.2
88.96836	0.3
89.95120	0.7
101.00828	0.4
110.98775	0.5
113.95117	0.6
115.07566	0.8
119.01918	2.4
125.77456	0.3
128.99171	0.3
131.00729	0.4
131.96127	10.7
132.62396	0.4
134.99834	0.5
137.02933	1.6
144.01071	0.4
149.97185	35.0
153.00909	0.4
154.97696	0.6
167.98224	4.6
170.03104	0.3
172.98756	0.7
177.00929	9.5
178.01086	2.5
179.00665	1.4
189.95158	1.5
190.94885	0.8
196.95033	0.6
199.07031	0.8
200.07339	2.0
201.00858	0.6
203.02458	0.8
205.94658	0.7
207.96239	15.9
207.98222	0.8
208.95970	2.8
213.95258	0.8
216.01854	0.4
218.03552	0.7
219.01988	15.0
220.02112	5.5
221.01764	2.1
223.95755	0.4
224.95332	0.5
227.51312	0.4
231.02026	0.8
231.96248	5.6
232.95950	1.8
234.03085	0.4
242.03603	0.8
246.94972	0.5
247.01369	0.5
249.97290	38.0
250.97099	2.6
255.96089	2.9
256.71478	0.4
258.03168	0.9
260.04797	0.8
261.00021	0.4
261.02994	1.5
264.96054	0.9
266.95117	0.4
269.05060	0.4
272.98828	0.8
273.03357	0.5
273.97269	34.6
274.02313	1.0
274.97021	4.9
277.01068	0.6
291.98325	100.0
292.98169	5.0
293.98700	0.6
296.98856	1.4
297.04187	1.0
297.10110	0.8
306.00073	0.5
314.95828	0.4
314.99881	4.5
315.05460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97433	0.9
55.05503	3.2
55.93504	1.1
57.07069	32.3
58.39791	0.9
67.05492	4.6
69.07059	100.0
70.04070	1.3
70.07380	3.0
70.07836	7.4
70.78008	3.2
78.57346	1.0
79.05482	2.4
81.07042	1.8
81.96436	0.9
86.09663	0.9
91.05466	2.0
95.04933	1.0
95.08598	2.1
99.08091	1.0
100.99698	3.7
105.33670	1.1
107.08575	1.2
115.01279	2.1
115.07552	30.2
128.99164	10.5
131.00713	12.8
133.06534	1.1
135.11650	1.2
143.00703	19.0
157.02257	6.5
176.37024	1.1
179.37949	0.9
198.07697	1.3
199.06953	67.3
200.07283	2.2
227.06497	3.6
278.21881	1.8
296.09702	25.0
297.09933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2006
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
50.37007	0.3
51.82841	0.3
53.03931	1.6
55.05508	1.4
56.96551	1.1
57.07067	4.9
59.17878	0.3
65.77885	0.3
67.05490	1.2
69.03411	0.7
69.07059	18.4
70.04062	0.8
70.07387	1.3
70.07835	1.3
70.90401	0.8
71.04961	0.4
77.03914	0.6
78.19370	0.3
79.05484	0.8
81.03426	0.8
81.07045	2.2
82.07370	0.7
83.08598	0.5
84.19825	0.3
85.02894	0.4
85.06524	0.5
91.05466	11.4
93.07028	20.2
95.04959	6.2
95.08583	1.4
96.08910	0.6
97.10136	0.4
98.97563	1.3
100.99676	0.6
103.05452	14.4
105.04500	1.0
105.07000	0.9
107.08573	0.9
109.10130	1.0
115.01243	0.6
115.07564	4.3
116.98627	0.6
118.06522	3.8
121.06484	100.0
122.06831	1.8
123.11704	0.4
127.03893	0.5
128.99152	1.8
131.00745	2.2
132.08066	1.5
133.08829	1.0
133.10109	0.6
134.99640	0.8
135.11662	0.7
143.00699	2.9
146.09633	1.5
153.01805	2.4
157.02312	1.2
158.99614	0.6
164.08636	0.3
176.14317	70.3
177.00655	0.6
177.14664	1.5
185.11780	0.3
191.03860	0.4
199.06943	10.9
200.07330	0.6
227.06374	0.6
275.10425	0.4
296.09683	4.7
296.20041	88.2
297.05988	0.6
297.20328	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	295.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05507	14.4
56.96570	0.7
57.03418	2.9
57.07068	13.7
58.07407	1.2
58.99581	1.0
59.04985	1.2
59.28664	0.7
65.03948	1.1
67.05498	47.2
67.99094	0.7
68.05802	1.0
69.03413	1.2
69.07062	50.4
69.96236	0.7
70.07391	4.6
70.07825	2.1
70.60887	0.6
70.84859	2.1
71.04983	3.7
71.08627	3.6
72.78398	0.6
79.05488	14.1
81.07050	41.0
83.08609	22.9
85.02892	1.2
85.06522	2.9
87.02699	1.7
87.08085	0.8
91.05466	7.5
93.07030	9.7
95.04969	3.0
95.07980	1.1
95.08591	20.1
97.06525	3.6
97.10155	4.3
98.97552	1.2
99.08099	2.1
101.09651	0.8
103.05443	5.4
105.07018	33.0
106.07837	4.0
107.08585	10.4
109.06516	1.9
109.10143	100.0
110.10490	1.5
111.08076	1.3
111.11686	1.8
113.09634	0.7
115.07560	5.8
116.07859	0.9
116.98528	0.8
119.08584	4.7
121.06498	1.3
121.10136	7.2
123.08042	0.7
123.11690	7.9
125.09573	1.2
127.11181	4.8
128.99176	0.9
129.00995	0.9
130.01346	0.9
131.00751	1.3
133.06473	16.9
133.10065	1.7
134.07274	10.9
135.08040	35.9
135.11667	2.9
136.08337	0.9
137.04224	1.9
137.09573	1.2
137.13223	4.5
141.00987	1.3
143.00702	1.8
143.08849	1.6
145.10127	0.6
146.06007	1.2
146.97304	0.8
147.11690	4.3
149.13225	6.6
150.96957	0.9
151.07521	8.0
151.11137	0.9
151.14819	2.1
155.10602	1.1
159.08069	0.6
161.09583	1.3
161.60837	0.7
163.02139	0.7
163.14813	2.8
165.03679	21.5
165.12721	2.2
165.16393	1.4
167.05238	4.3
173.11726	1.9
175.14848	1.2
177.16341	2.0
179.05197	4.6
189.16342	1.3
197.07268	2.2
198.07573	6.6
199.06920	6.7
203.17865	1.9
221.18861	0.7
226.07173	1.4
229.15871	0.7
259.24258	3.3
273.82620	0.6
277.16180	6.6
277.25278	4.8
295.10248	2.5
295.17270	4.7
295.26266	23.6
296.09686	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	295.2629
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03929	0.7
53.11906	0.5
55.05501	14.0
56.96552	1.2
57.03432	1.2
57.07067	10.3
58.07393	1.3
59.04990	2.2
67.05498	11.9
69.03425	2.4
69.07058	100.0
70.07392	5.0
70.07793	1.1
71.04988	1.5
71.08612	1.6
71.58219	0.9
73.06520	0.7
79.05475	3.5
81.03420	0.6
81.07046	28.0
83.04961	0.9
83.08604	8.5
85.02897	1.0
85.06532	3.3
85.10194	0.8
91.05437	2.6
93.07021	9.2
94.06572	1.1
95.04949	1.4
95.08591	16.1
97.06518	4.5
97.10157	3.4
98.97571	1.6
99.08089	2.4
105.07026	2.9
107.08572	8.4
109.06512	1.5
109.10143	22.3
111.08081	1.8
111.11707	21.0
113.09540	0.5
115.07547	5.3
116.07906	1.0
116.98643	1.0
119.04938	0.6
119.08576	2.7
121.06431	0.8
121.10115	5.7
123.08071	1.1
123.11696	10.7
125.09605	1.0
125.13270	1.1
126.99413	0.6
127.11189	1.1
127.99767	0.6
128.99164	1.2
129.01045	0.7
129.12788	1.5
131.00708	1.2
131.08574	0.6
133.10138	2.1
134.99690	0.6
135.11673	6.3
137.05859	0.7
137.09621	1.4
137.13246	3.3
139.11154	14.7
139.12192	0.9
141.01021	1.3
142.01372	0.9
142.63460	0.5
143.00763	1.6
146.05956	1.2
147.11676	2.0
149.13223	2.7
151.11183	1.9
153.12701	6.3
157.02275	1.0
157.10066	0.6
157.12216	2.5
161.13290	1.6
163.14832	1.2
165.12703	0.9
167.14392	0.6
171.02954	0.6
174.05554	0.5
174.96806	0.6
177.00674	0.6
177.16353	1.0
184.13750	0.5
189.16428	0.9
193.15819	0.8
197.07378	2.6
198.07605	5.4
199.06929	7.3
203.17958	1.1
210.02100	0.7
259.24219	1.0
267.10477	0.6
272.19318	0.6
277.25156	5.4
283.08945	0.8
294.64264	0.7
295.10107	3.5
295.26276	22.6
296.09833	2.4
296.16309	1.0
296.26718	0.6
303.62738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03942	13.8
55.01853	7.2
55.05306	2.1
55.05502	22.7
57.03423	3.4
57.07068	34.9
58.07399	3.7
60.31472	2.0
60.79953	1.9
67.05173	3.3
67.05499	45.6
69.07061	100.0
69.42960	20.7
70.07381	18.8
70.07823	6.1
71.08621	5.4
79.05481	34.7
81.03406	48.8
81.07047	46.3
83.04972	15.1
83.08606	12.9
85.10160	10.9
91.05470	21.9
93.07035	33.3
95.04955	35.2
95.08602	19.5
97.06523	5.2
97.10138	8.0
100.00357	2.6
103.05434	5.6
105.07008	35.5
106.07803	2.3
107.04914	3.5
107.08586	19.7
109.06519	5.5
109.10144	14.9
111.08028	2.7
113.09620	8.1
115.07551	19.7
116.07848	4.9
117.07006	2.5
119.08572	12.2
121.06523	2.2
121.10126	8.8
123.08013	3.7
123.11707	7.2
125.09608	7.3
129.01012	3.0
130.48093	2.3
131.00732	5.6
131.08530	3.7
133.06473	15.8
133.10104	16.4
134.07236	7.2
135.08043	32.8
135.11702	5.5
137.04190	2.6
141.00987	2.6
142.01338	4.4
143.00708	6.8
143.08601	2.8
145.10146	2.7
146.06079	2.5
147.11668	11.5
149.13220	3.2
151.07590	5.3
151.11168	31.6
153.09096	2.5
156.02870	2.9
157.02307	3.3
157.10165	2.8
161.13228	9.1
163.11247	2.8
163.14774	2.5
165.03648	14.7
165.12726	16.2
167.05139	2.3
171.11632	2.9
175.11183	2.6
175.14868	4.9
179.14268	4.6
197.07249	9.4
198.07585	28.4
199.06943	27.0
199.14793	2.7
207.13791	6.8
231.21021	6.6
241.19449	4.7
259.20590	6.2
277.16306	4.8
277.21609	62.5
295.10358	10.8
295.17279	4.6
295.22607	22.3
296.09674	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	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.05502	35.6
57.07057	40.0
67.05495	82.6
69.07057	88.7
69.47074	28.7
69.47482	22.7
70.07397	18.0
71.08606	55.4
79.05479	60.8
81.03411	11.9
81.07043	75.7
83.04958	12.0
83.08603	20.0
91.05459	29.7
93.07035	82.9
95.04965	13.0
95.08585	59.0
97.10153	16.4
98.21473	11.0
99.08080	34.2
105.07021	25.2
107.08572	39.8
109.06525	10.4
109.10134	28.5
115.07559	13.0
116.07887	10.7
117.07036	7.9
119.08571	23.4
121.10119	44.2
123.11666	12.2
125.09649	6.7
133.10092	12.3
135.11653	52.1
135.15407	6.3
137.09619	11.2
139.78316	6.2
142.01280	6.7
143.00768	9.6
147.11678	11.6
149.13263	18.9
151.11197	21.3
161.13242	16.7
164.94217	6.9
179.14284	100.0
189.11130	8.5
197.07274	8.1
198.07610	31.9
199.06905	18.0
277.16956	8.0
277.21646	50.8
295.10397	14.0
295.22858	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	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03920	6.4
55.01853	6.9
55.05504	30.1
57.03432	28.3
57.07066	27.0
58.07394	4.2
67.05170	4.4
67.05497	56.3
69.07062	74.8
69.93520	6.5
69.93913	5.6
70.07365	8.5
70.07761	2.9
71.08575	3.7
79.05059	3.3
79.05484	47.1
81.03404	14.9
81.06576	4.5
81.07045	88.8
83.04948	9.0
83.08596	13.0
85.06516	8.0
85.10155	17.4
87.31969	2.9
91.05469	30.1
93.06483	2.7
93.07036	48.5
95.04961	23.0
95.08595	69.2
97.06503	7.9
97.10128	11.1
99.08087	3.9
105.07019	23.6
107.08575	37.0
109.06493	9.4
109.10143	26.2
109.52135	2.4
111.08065	7.1
113.09637	17.3
115.07539	11.2
116.07873	3.0
117.06982	8.3
119.08570	15.2
121.10125	30.9
123.08025	9.0
123.11668	12.7
123.28017	2.4
125.09600	6.9
129.00995	3.2
129.06976	3.4
131.00705	2.5
131.08568	12.4
133.10094	15.7
135.11697	21.2
137.09596	8.0
143.00749	3.6
145.10074	13.0
147.11626	11.8
149.09602	7.6
149.13255	9.3
151.11119	9.1
155.28387	2.6
157.10141	3.5
159.11647	11.7
161.13252	7.8
163.11188	4.1
163.14761	5.6
165.12714	29.6
171.11664	5.4
173.13181	2.8
175.11168	2.7
175.14719	4.0
176.25822	2.7
179.14229	3.0
185.13280	4.1
187.14830	13.2
195.13554	3.7
197.07309	3.5
198.07587	17.6
199.06966	14.4
203.17934	5.1
205.15816	8.2
221.18968	5.4
223.16891	5.0
241.19469	5.5
259.20505	14.5
267.67822	3.9
277.21613	100.0
277.24631	5.3
295.10254	4.7
295.22629	89.0
296.09662	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.03772	4.4
53.03922	6.0
55.05506	34.2
57.07068	52.9
65.29848	5.2
67.05502	41.1
67.42756	5.1
69.07063	92.4
69.26877	55.0
69.56659	4.5
70.07390	12.0
79.05482	29.9
81.03416	24.3
81.07056	40.7
83.04982	16.7
83.08625	11.9
85.10179	78.4
88.32257	4.6
91.05471	29.7
93.07018	28.3
95.04963	17.2
95.08602	33.8
97.06548	7.5
97.10137	9.2
105.07018	21.1
107.04932	15.0
107.08585	20.9
109.10140	10.3
113.09634	100.0
115.07553	24.6
119.08583	12.4
121.10148	10.1
123.08084	8.1
131.00702	4.8
131.08585	10.6
133.10138	6.2
135.11700	8.6
141.01054	5.8
145.10150	7.0
147.11661	18.2
149.09618	10.9
151.11192	8.2
161.13152	4.3
163.11169	13.3
165.12758	68.6
175.11162	6.5
197.07228	8.7
198.07637	19.4
199.07031	21.2
207.13757	5.5
259.20538	9.8
277.21606	64.7
295.10324	15.4
295.22629	82.9
296.09735	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03926	6.1
55.01866	26.5
55.05503	42.7
56.38608	2.6
57.03429	3.9
57.07071	28.2
58.07396	5.3
64.97227	2.1
65.82271	2.3
67.05501	70.2
69.03418	5.3
69.07063	100.0
69.96476	14.8
70.07392	15.6
70.07824	5.5
71.04979	4.6
71.08238	3.0
71.08620	17.0
73.02879	2.6
79.05056	3.3
79.05485	39.8
81.03402	11.2
81.06569	4.2
81.07047	58.8
83.04984	16.6
83.08614	22.9
85.02882	3.5
85.06532	3.8
85.10157	6.0
91.05482	27.4
93.07036	54.1
95.04965	23.8
95.08601	42.5
97.06505	10.3
97.10145	11.0
98.20854	3.9
99.08092	12.0
105.07018	27.3
107.04951	4.0
107.08589	29.1
109.06496	6.6
109.10144	16.2
111.04447	2.3
111.08073	37.9
113.09634	4.5
115.07557	16.8
116.07879	6.0
117.07010	6.1
119.08572	15.7
121.06507	2.4
121.10116	16.0
123.08045	6.1
123.11659	6.6
125.09596	9.6
126.32784	2.5
126.99453	4.7
127.99789	4.6
128.99153	5.4
129.01045	6.3
129.07013	4.1
131.00699	6.5
131.08563	9.9
133.10107	22.1
135.08052	4.7
135.11685	19.4
137.09613	4.6
139.11174	7.2
141.01031	5.7
142.01326	3.6
143.00713	8.9
143.08586	2.7
145.10135	4.0
146.97389	3.9
147.11691	15.1
149.09567	3.4
149.13271	13.0
151.11177	14.5
159.11662	6.0
161.09705	3.0
161.13239	8.5
162.13545	2.9
163.11223	5.5
163.14793	6.0
165.12741	12.3
169.98967	3.0
171.11662	2.8
173.13252	3.6
175.11165	4.6
175.14720	4.2
175.79791	3.0
176.00824	2.6
177.12737	3.5
179.10583	3.0
179.14296	3.4
185.13202	2.5
193.12340	4.1
195.13797	4.2
197.07312	11.6
198.07588	31.2
199.06929	20.8
207.13939	3.2
215.77243	2.3
221.15283	4.2
231.20871	3.9
241.19591	4.1
241.61378	2.7
249.22070	3.7
251.71176	2.4
259.17227	2.8
259.20480	11.1
277.21613	69.4
295.10226	9.6
295.22662	43.3
296.09650	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	294.2061
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
50.28565	0.3
53.35685	0.3
54.70785	0.3
55.01870	0.3
55.05492	1.1
57.07067	7.9
58.07401	0.4
66.04730	0.3
67.05486	1.6
69.07059	20.3
70.07370	0.6
70.07834	1.2
70.94624	0.7
71.08595	0.3
79.05479	1.2
79.86312	0.3
81.07039	2.7
83.08579	0.3
91.05457	0.9
93.07069	0.3
94.04178	2.2
94.07369	0.3
95.04957	0.4
95.08596	0.4
98.91220	0.3
99.00005	0.7
100.86216	0.3
105.07042	0.4
107.04928	0.6
107.08560	0.4
109.06521	0.3
113.01548	0.6
115.07550	5.4
119.04974	0.4
121.10133	0.3
122.03629	7.3
123.11710	1.9
126.99437	2.3
129.01009	3.3
133.10106	0.3
137.05957	100.0
138.06310	1.0
139.00543	0.3
141.00992	4.2
146.97414	0.5
147.04443	0.7
155.02556	1.4
158.15378	1.6
161.09625	0.3
170.15341	2.0
197.05405	0.7
197.07257	13.5
198.07521	0.6
202.81648	0.3
225.06706	0.6
226.33449	0.3
256.48236	0.3
276.20499	1.1
294.09995	5.5
294.21249	0.9
294.25961	0.3
295.10498	0.4
295.74173	0.3
297.66458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59032	0.6
53.03932	0.9
57.07044	0.6
63.31705	0.5
66.50654	0.6
68.99783	0.7
69.07062	2.0
70.02950	6.5
70.07363	0.8
70.84269	1.3
70.84602	1.0
73.02896	0.6
74.02454	3.3
80.67957	0.6
82.30655	0.6
85.02882	0.8
86.02419	1.0
87.00824	1.5
88.03983	41.1
91.05463	0.9
92.04954	0.9
94.06559	43.8
95.04964	1.2
98.02400	1.1
99.00813	5.2
104.03455	12.4
104.04986	3.1
116.03429	2.6
118.06558	1.6
120.04460	10.4
126.76895	0.6
130.04997	1.8
132.04424	5.0
136.07591	2.0
146.05992	100.0
147.06259	1.1
150.05475	3.7
153.60805	0.6
156.02916	4.9
158.04507	1.1
163.08701	1.5
164.07077	0.9
174.03963	16.3
174.05505	37.0
175.05812	0.7
184.02405	1.2
192.06487	6.4
198.07556	1.4
202.03445	11.5
233.38210	0.7
277.08188	2.2
295.09586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.0
65.03931	0.8
69.07062	6.0
70.07822	0.6
71.47713	0.9
79.43046	0.4
82.38564	0.4
84.04486	0.9
91.05473	8.4
98.99991	0.4
102.05533	0.5
112.11288	0.4
115.07561	2.4
119.04925	24.6
126.99480	0.5
129.01042	1.2
130.05006	2.0
141.00992	1.5
147.04387	100.0
148.04724	1.8
155.02612	0.7
197.07266	5.3
207.06497	0.4
210.76448	0.4
294.06683	0.4
294.09937	1.9
312.14902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32275	0.3
57.07062	2.2
58.06594	0.4
58.42977	0.4
65.03958	1.0
69.07065	7.7
70.02819	1.6
84.04466	0.9
84.08110	1.1
89.03897	1.2
91.05475	10.6
98.20849	0.9
99.63873	0.4
102.58305	0.4
112.11244	2.9
113.11530	0.7
115.07552	2.0
117.03396	1.5
118.03661	0.6
119.04935	27.1
126.25201	0.4
126.99462	0.6
129.01027	1.4
129.13870	1.3
130.04994	1.6
131.51456	0.4
141.01036	1.5
145.02853	3.3
146.03183	0.9
146.05989	0.9
147.04398	100.0
148.04779	0.9
155.02567	0.7
175.03885	1.9
176.04271	0.9
177.05453	3.9
178.05765	1.3
197.07280	5.7
207.06483	2.5
208.06877	1.2
225.06737	0.6
237.71567	0.5
257.09155	0.4
294.10062	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	294.1
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45395	0.7
55.05496	2.2
57.07072	31.3
58.06594	1.2
67.05484	2.5
69.07064	100.0
70.07854	6.5
70.85230	1.6
70.85605	1.3
72.08118	1.1
81.07034	0.9
84.08123	4.1
86.81391	0.7
89.03905	1.9
91.05460	3.5
95.04971	1.2
99.00007	4.6
107.04951	0.8
112.11230	5.4
113.01530	3.5
113.11555	1.0
115.07563	27.6
117.03355	3.0
119.04916	3.2
120.05291	1.7
126.99473	10.8
129.00154	1.4
129.01025	15.9
129.13878	3.0
131.04861	0.8
134.71254	0.7
137.05998	0.8
139.00536	0.9
141.01009	22.1
145.02855	4.7
146.03169	1.8
147.04364	5.0
149.06044	0.9
155.02567	8.1
159.38014	0.9
161.09634	1.4
169.03204	1.1
175.03918	4.3
176.04271	1.4
177.05486	6.3
178.05795	3.1
197.07275	73.1
207.06493	3.1
208.06895	1.9
225.06760	5.4
294.10016	25.6
300.37781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44264	0.4
57.07053	0.4
65.03927	1.0
67.80616	0.3
69.07072	1.8
69.07388	0.4
69.89209	2.1
69.97675	0.3
71.08352	0.4
84.04485	0.8
91.05465	11.2
115.07555	0.4
119.04926	26.6
130.04985	2.2
147.04388	100.0
148.04732	0.9
156.28868	0.4
168.45840	0.4
169.93214	0.4
197.07275	1.7
270.07428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03923	5.5
55.01867	28.5
55.05503	53.8
56.48112	4.3
57.07061	4.7
57.83791	3.9
58.53139	4.0
59.04980	4.0
60.46972	4.4
67.05499	44.5
69.03421	4.7
69.07062	31.4
70.84538	5.3
70.84866	9.2
71.05003	4.7
79.05483	83.2
80.50092	3.8
81.03387	6.8
81.07047	47.5
83.04970	13.3
83.08598	25.1
91.05483	31.9
93.07029	43.8
95.04963	10.7
95.08589	14.3
97.06509	45.8
97.10159	22.6
97.58743	4.2
105.07010	28.3
107.04937	48.6
107.08571	65.3
109.06525	6.1
109.10161	17.8
111.08076	6.0
115.07568	5.4
117.06989	12.0
119.08554	19.5
121.06518	5.5
121.10139	19.0
123.11679	6.7
125.09615	35.1
131.08582	13.1
133.10129	23.4
135.08012	9.5
135.11711	6.3
141.01094	5.9
145.10146	10.2
147.11671	24.3
149.09604	92.5
159.11758	6.8
161.13145	4.6
163.11137	7.0
168.59785	4.8
169.12248	5.3
171.10049	4.8
173.11810	5.9
173.13199	7.8
175.86664	4.1
189.11192	33.1
197.07274	7.4
198.59729	4.3
200.84567	4.3
223.33545	4.4
229.19458	9.6
257.18918	20.3
275.20020	100.0
293.21085	17.2
294.09955	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	4.8
55.01863	17.7
55.05505	27.1
55.34426	1.3
56.96556	2.0
57.06819	1.9
57.07070	25.6
59.04994	1.4
65.03925	2.1
67.05172	2.6
67.05500	37.2
69.03421	3.5
69.07063	95.5
70.07835	5.0
71.04967	3.0
71.30276	2.7
77.18664	1.3
79.05056	2.3
79.05490	40.1
81.03406	6.6
81.07050	46.9
83.04985	6.9
83.08615	13.7
84.08133	2.3
85.06541	3.3
91.04899	1.5
91.05472	31.4
93.07041	32.3
95.04960	11.5
95.08042	2.5
95.08601	28.9
97.06520	18.3
97.10149	14.4
98.97617	1.5
99.00011	2.0
105.07026	29.7
107.04964	8.1
107.07851	3.0
107.08584	54.8
109.06499	10.6
109.10136	16.2
111.08076	5.2
111.11646	1.7
112.11257	3.3
115.07555	23.9
116.98625	2.2
117.07001	10.9
119.04922	1.5
119.08574	19.6
121.06495	4.9
121.10144	14.0
123.08070	6.8
123.11697	5.0
125.09585	8.4
126.99445	7.4
129.01025	10.8
129.06941	2.0
131.08537	12.7
133.10114	15.1
135.08054	6.4
135.11664	9.2
137.09566	4.9
137.13286	1.9
141.00992	15.6
143.01833	2.2
143.08551	2.9
145.02803	2.3
145.10120	15.3
147.04362	3.5
147.11678	11.6
149.09593	21.6
149.13223	5.0
151.11143	6.7
151.14742	2.2
155.02559	6.2
155.08568	1.9
157.10091	3.1
159.11650	10.6
161.02977	3.4
161.09596	3.2
161.13234	3.8
163.11171	8.2
165.09059	7.7
165.12607	1.7
169.10112	3.0
171.11621	1.8
173.13203	5.3
175.11169	3.0
177.05463	3.1
177.12790	2.5
187.11098	3.4
189.11174	7.2
189.12695	2.4
197.07277	51.8
197.13139	2.5
201.12662	2.3
207.06435	2.9
207.13818	1.6
213.16475	1.9
225.06746	3.5
229.19569	4.8
233.19150	2.0
239.17842	4.1
247.20470	9.4
257.18973	10.2
275.20044	100.0
276.20248	2.5
279.03970	1.7
293.21075	22.1
294.09991	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.76588	0.6
50.90664	0.7
53.03942	1.4
55.01865	1.3
55.05504	21.0
56.96555	5.6
57.03431	0.9
57.07067	22.7
57.14823	0.6
58.06582	0.7
59.04998	1.8
65.03938	1.0
67.05494	30.6
69.03412	1.3
69.07059	78.9
70.07851	3.2
70.72854	0.9
70.73180	1.2
71.04989	1.9
71.08621	3.9
72.08123	0.9
79.05047	1.3
79.05482	14.7
81.07046	100.0
82.07404	0.9
83.04975	1.4
83.08609	18.7
84.08141	3.9
85.02884	2.1
85.06531	7.9
85.10167	0.9
87.04478	0.9
89.03886	1.1
91.05469	7.4
93.07037	15.8
95.04964	3.0
95.08594	88.7
96.08906	1.0
97.02863	0.9
97.06514	2.6
97.10156	10.7
98.97570	6.2
98.99987	1.6
99.08062	3.7
103.05460	2.7
105.04519	0.6
105.07017	25.0
107.04970	0.8
107.08581	17.4
109.06496	1.3
109.10143	48.8
111.08077	3.2
111.11720	5.7
112.11230	5.7
113.01572	0.9
113.09635	1.5
115.07558	11.6
115.08352	0.7
116.98608	7.4
117.03355	2.6
119.04916	2.6
119.08571	2.6
121.06477	1.1
121.10116	10.0
123.08083	0.8
123.11691	24.5
125.09577	2.0
125.13251	2.2
126.99461	2.9
127.11158	1.2
129.01027	8.0
129.06927	0.6
129.13841	3.8
131.04924	3.0
131.08521	1.2
133.10123	2.8
134.99635	10.0
135.08023	1.3
135.11678	7.4
137.09610	1.5
137.13245	13.2
139.11098	1.4
141.01022	9.0
145.02800	3.8
145.10109	1.3
147.04395	4.5
147.08096	1.0
147.11685	1.8
149.05945	1.0
149.09593	1.9
149.13258	10.2
151.14806	11.6
153.00687	2.6
153.01811	0.9
153.12750	1.6
155.02568	2.8
158.01180	1.1
159.11737	1.3
161.09558	1.4
163.03949	0.9
163.11218	0.9
163.14807	3.9
165.16335	2.1
167.14262	1.8
175.03922	3.7
177.05431	5.9
177.16371	1.2
179.17889	2.0
181.68407	0.6
191.17911	1.3
193.19444	1.3
197.07257	34.0
205.19518	0.8
207.06461	4.8
219.13762	1.7
219.17284	0.6
219.21036	1.0
225.06723	2.4
229.15944	0.7
234.11429	1.0
237.22005	0.8
257.19077	1.4
257.22476	0.8
275.20090	4.3
275.27213	2.3
278.20496	0.7
293.03442	3.5
293.21390	3.3
293.24887	1.4
293.28317	18.5
294.10001	12.5
294.14792	9.5
294.18423	2.7
311.04367	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	5.0
55.01875	12.5
55.05263	1.9
55.05510	32.0
56.96558	3.5
57.03423	4.0
57.07074	26.2
57.17416	1.3
59.04991	1.9
65.03921	2.0
67.05501	50.0
69.03409	6.7
69.07066	100.0
69.49369	2.9
69.49779	9.9
70.07835	5.4
71.04987	3.7
72.66565	1.4
78.94729	1.3
79.05490	33.8
79.91914	1.5
81.03400	5.1
81.07056	84.9
83.04964	6.8
83.08614	20.8
84.08147	1.8
85.02934	1.5
85.06525	5.5
89.03896	1.6
91.05475	29.8
93.07047	32.8
94.07336	2.0
95.04969	14.3
95.08604	48.2
95.09223	2.4
97.06527	13.0
97.10161	13.6
98.97569	3.1
99.00027	2.1
105.07025	33.8
106.07391	1.7
107.04942	9.1
107.08591	45.2
108.08893	1.4
109.06506	12.9
109.10152	29.1
111.08044	4.2
111.11696	3.0
112.11246	5.0
115.07568	23.5
116.98566	2.8
117.03403	1.5
117.07007	8.5
119.04926	3.2
119.08575	21.1
121.06490	6.5
121.10140	18.4
123.08044	7.0
123.11678	9.8
125.09621	12.3
126.99480	6.8
129.01036	11.6
129.06992	2.1
129.13898	1.6
131.08565	11.1
133.10129	18.8
134.99612	2.6
135.08049	6.6
135.11681	8.5
137.09579	4.6
137.13211	2.0
139.11194	1.9
141.01001	13.3
143.08594	2.9
145.02846	3.5
145.06517	1.4
145.10104	12.7
147.04440	2.2
147.11691	15.6
149.09610	16.5
149.13234	5.1
151.11188	7.6
151.14813	2.2
155.02570	5.7
157.10120	3.0
159.11609	8.1
161.09557	2.8
161.13214	5.2
163.11171	7.8
163.14853	2.4
165.09116	7.1
165.12752	2.6
169.10071	2.6
171.11659	2.1
173.09560	2.7
173.13240	5.6
175.03870	3.1
175.11275	2.0
177.05437	4.1
177.12756	4.0
183.11528	2.4
187.11186	1.8
189.11174	4.9
189.12711	2.3
191.14337	2.1
193.12259	2.6
195.13885	1.7
197.07269	56.3
205.19603	1.7
207.06538	2.8
215.17792	2.4
225.06784	4.5
229.19510	5.2
239.17915	5.6
247.20462	7.5
257.19019	12.2
275.20041	77.3
276.20251	3.2
288.12009	2.1
293.03284	2.2
293.18109	2.7
293.21106	21.9
293.28250	5.1
294.10037	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.62939	2.7
53.03944	5.7
55.01842	5.9
55.05508	29.2
57.07050	13.5
65.03936	4.9
67.05495	100.0
68.21721	2.6
69.07062	51.6
77.30901	3.1
79.05481	42.6
81.03385	7.0
81.06572	5.6
81.07046	99.0
83.04959	11.0
83.08615	22.5
84.01685	2.7
91.05468	28.6
93.07035	48.9
95.04961	18.9
95.08049	5.1
95.08600	77.3
97.06529	9.1
97.10131	8.4
105.07031	25.9
107.04947	10.4
107.08584	29.9
109.06485	7.5
109.10141	38.5
111.08086	6.4
112.66429	3.2
115.07557	8.6
117.06986	11.9
119.08543	21.2
121.06523	4.7
121.10152	25.0
123.08039	8.8
123.11695	12.5
124.25933	3.2
125.09594	7.2
129.01031	5.3
131.08548	22.4
133.10118	20.1
135.08020	7.8
135.11685	15.8
136.93436	3.2
137.09613	8.2
137.13268	5.5
141.01035	5.6
145.10115	22.0
147.11658	11.8
149.09602	32.2
151.11229	15.6
155.02612	3.3
159.11688	11.0
161.09669	3.6
161.13222	7.6
163.11174	22.7
165.12679	10.2
169.10080	5.2
171.11702	5.4
173.13205	9.3
175.11160	4.3
177.12682	7.7
187.14688	4.4
191.14276	3.9
197.07307	28.2
197.13191	5.8
214.35728	3.0
215.17879	3.1
229.19553	7.0
239.17888	12.8
257.18912	19.8
261.22220	6.6
275.20050	81.6
287.99136	3.3
293.21075	26.5
293.24713	10.0
294.10049	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.02397	0.9
50.19045	0.8
52.83680	0.8
53.00315	0.8
53.03923	2.4
55.01864	5.6
55.05262	1.3
55.05508	19.3
55.07664	0.9
57.03424	2.0
57.07069	20.7
65.03937	1.9
67.05499	20.7
69.03414	1.9
69.07062	41.6
69.48083	8.4
70.07816	2.2
71.04986	2.3
71.40474	0.9
79.05487	22.4
81.03410	5.2
81.06576	1.6
81.07049	28.9
83.04971	5.6
83.08615	10.3
85.02885	1.7
85.06519	1.5
91.05470	13.6
93.07031	16.9
95.04961	35.3
95.08594	11.2
97.06504	3.1
97.10159	9.6
98.20772	2.1
98.99964	1.6
99.08082	1.1
105.07024	14.8
107.04942	10.0
107.08583	15.8
108.05701	2.1
109.02845	1.7
109.06519	6.9
109.10162	5.5
111.04453	6.8
111.07019	0.9
111.08056	2.8
112.11191	1.3
115.07545	8.3
117.06987	4.5
119.04937	1.3
119.08575	9.3
121.06493	8.9
121.10144	6.7
123.08048	3.0
123.11719	2.6
125.05981	2.3
125.09605	6.8
126.99480	1.3
127.07561	1.1
129.01050	4.9
129.07005	1.4
131.08557	7.2
133.06441	1.1
133.10132	8.7
135.04346	1.5
135.08031	4.6
135.11679	3.7
137.09630	2.0
139.11118	1.0
141.00989	5.7
141.06924	1.3
143.08513	1.9
145.10107	7.3
147.08006	1.7
147.11670	6.3
149.09593	20.5
151.11166	3.5
153.05467	5.1
153.09007	1.8
155.02538	1.9
157.10052	1.5
159.11685	3.7
161.09538	1.7
163.03888	1.8
163.11166	8.5
164.11955	1.4
165.12727	2.7
167.10745	1.1
169.76286	0.9
173.13185	1.7
175.03940	1.3
177.05389	1.0
177.12723	3.6
177.98299	1.1
181.04968	7.2
181.12131	1.2
187.11188	1.3
189.11263	5.1
191.10640	8.0
193.12230	1.2
195.10168	3.2
197.07262	22.5
201.12627	1.1
207.13779	1.0
209.11713	16.0
219.10172	3.5
222.33876	0.9
223.13165	6.1
225.06813	2.3
237.11189	29.7
237.14835	3.1
239.17938	2.0
247.20515	2.6
251.19003	2.0
257.18942	5.3
275.20035	41.9
276.20511	1.0
293.21069	100.0
294.10001	8.3
294.21463	2.9
300.85907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03922	1.2
55.01859	3.3
55.05499	11.5
57.03430	1.7
57.07065	1.8
65.03950	1.3
67.05495	26.7
67.42279	0.9
69.03420	1.8
69.07061	21.7
69.28551	12.4
70.58352	1.0
71.04980	1.8
75.44058	1.1
79.05482	16.4
81.07042	28.4
83.04975	6.1
83.08607	3.9
85.06545	2.0
91.05472	17.5
93.07030	22.8
95.04973	8.9
95.08595	17.0
97.06499	2.8
97.10173	2.3
98.21495	2.6
105.07018	22.4
107.04944	7.1
107.08588	11.6
109.06483	8.8
109.10133	8.8
111.08080	1.5
115.05496	1.5
117.06999	5.1
119.08582	11.3
121.06502	8.6
121.10102	6.6
123.08069	3.4
123.11662	1.7
126.42460	1.0
129.06990	2.5
131.08548	12.5
133.06503	2.4
133.10121	15.5
133.99507	1.0
135.08054	3.9
135.11684	4.9
137.09631	2.6
141.39688	1.1
143.08640	1.2
145.10118	10.8
147.08051	3.4
147.11668	10.5
149.09625	5.4
149.13254	2.9
151.11189	8.0
155.08583	1.6
157.10139	1.6
159.08075	2.1
159.11684	4.4
161.09578	2.2
161.13275	2.1
162.38309	1.1
163.11172	4.7
169.10194	1.5
171.11635	1.8
173.09650	2.1
173.13268	3.2
175.11203	2.2
177.12752	1.1
183.11725	1.6
183.74509	1.1
187.11180	1.3
187.14828	1.2
189.12708	1.0
191.14268	1.4
197.13200	1.6
201.12842	3.2
207.13814	3.1
215.14291	1.6
219.13768	6.2
229.19489	2.6
230.86345	1.1
231.17368	1.6
233.18988	1.2
239.17989	3.3
247.20528	2.8
257.18948	15.8
275.20035	100.0
276.20355	1.6
293.21072	21.6
308.22751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.93024	1.9
53.03926	2.3
55.01868	3.3
55.05508	31.6
57.03426	4.1
57.07072	28.2
67.05500	41.9
69.07063	100.0
70.07838	7.2
71.04980	6.3
79.05056	3.7
79.05487	54.9
81.03408	3.9
81.07053	33.2
83.04961	8.7
83.08614	18.4
83.54848	2.0
85.06545	3.5
91.05468	29.0
93.07042	52.7
93.99844	2.5
95.04933	18.2
95.08599	31.6
97.06527	5.9
97.10146	8.6
99.00018	3.6
100.62927	2.1
105.07021	21.3
107.08581	15.0
109.06490	5.9
109.10114	10.4
111.08064	7.3
115.07561	29.1
117.07008	4.5
119.08567	15.7
121.06464	3.1
121.10132	31.2
123.08056	5.1
123.11710	3.3
125.09621	5.8
126.99486	10.2
129.01009	11.3
131.08536	8.7
133.10094	12.5
135.08037	4.3
135.11641	4.1
137.09618	9.5
139.11119	2.1
141.01036	17.7
141.52217	2.1
145.10100	11.0
147.11662	8.2
149.09639	4.8
149.13307	3.0
151.11104	2.7
153.38582	2.1
155.02620	5.0
159.11655	4.7
161.09615	2.2
161.13222	8.2
163.11174	5.3
168.54205	2.0
173.13268	2.9
175.09430	2.5
179.14334	5.7
183.11803	2.1
189.11133	3.7
197.07257	55.0
197.30046	2.1
225.06697	3.3
237.11072	4.9
257.18988	8.4
275.20041	26.6
286.68991	2.2
293.21091	22.3
294.09955	21.8
306.31204	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03927	5.4
55.01870	10.3
55.05505	25.8
56.96560	2.3
57.07074	25.8
67.05502	33.5
69.03451	2.6
69.07062	100.0
70.07835	5.7
70.19551	5.6
71.04966	2.7
78.05415	1.9
79.05481	26.0
80.31220	1.7
81.03403	7.1
81.07045	33.2
83.04954	7.6
83.08608	21.8
85.06540	3.4
91.05466	21.9
93.07040	25.8
95.04964	21.8
95.08598	19.4
97.06490	7.3
97.10143	7.1
98.99967	4.4
105.07021	19.7
107.04931	8.0
107.08587	18.6
109.06483	7.0
109.10148	14.1
111.08054	6.1
113.01570	2.0
115.07555	21.2
117.07011	9.3
119.04955	3.4
119.08561	15.0
121.06479	6.8
121.10133	11.9
123.08047	7.7
123.11710	2.5
125.09585	4.8
126.99432	9.4
129.00999	10.9
129.06981	4.3
131.08551	9.8
133.10115	18.1
135.08031	6.1
135.11674	6.9
137.09587	5.5
141.01015	17.8
145.02844	2.4
145.10095	11.6
147.04442	2.6
147.08046	2.1
147.11670	9.4
149.09607	17.7
151.11182	8.8
155.02573	7.4
157.10226	2.6
159.11667	6.5
161.09659	2.5
161.13248	2.7
163.11153	16.6
165.12752	3.9
166.99231	1.6
169.12135	2.5
173.09549	4.3
173.13223	4.4
177.12791	3.3
183.11659	3.3
187.14801	1.6
188.68175	1.7
189.11258	2.9
197.05431	2.9
197.07275	60.8
197.13289	2.3
207.13739	2.3
209.30882	2.0
223.13226	4.3
225.06636	3.8
229.19467	4.4
239.17981	5.2
247.20694	3.1
253.87804	2.2
257.18970	12.0
275.20056	60.4
293.21072	34.1
294.09961	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	3.3
55.01871	9.9
55.05508	22.0
57.03423	4.2
57.07072	27.4
65.03914	3.2
67.05165	3.2
67.05501	48.9
67.61534	1.6
69.03407	3.5
69.07063	100.0
69.66924	11.0
69.67353	3.0
70.07840	4.4
71.04976	4.3
71.56641	1.8
79.05482	40.4
81.03404	5.3
81.07049	84.7
82.07375	2.2
83.04951	5.5
83.08617	11.3
85.06535	5.3
88.02459	1.7
91.05474	31.7
93.07040	28.7
95.04949	14.2
95.08600	32.7
97.06513	7.0
97.10168	3.6
98.99988	3.9
99.91012	1.6
105.06376	2.9
105.07020	34.5
107.04961	6.7
107.08587	23.1
109.06504	21.9
109.10136	19.5
111.08054	4.5
113.01572	2.4
115.07558	15.3
117.06985	8.6
119.08571	37.4
121.06480	3.2
121.10149	10.7
123.08039	9.4
123.11694	4.6
125.09673	2.8
126.99490	9.5
129.01035	13.0
131.08589	14.0
133.10120	24.1
135.08025	7.4
135.11671	7.3
137.09583	11.5
140.38509	1.8
141.01009	13.9
143.08542	4.2
145.10080	11.2
147.11693	13.2
147.74272	1.8
149.09613	12.8
149.13251	3.3
151.11182	6.7
155.02560	5.6
157.10150	3.9
159.11758	9.0
161.09686	2.8
161.13220	3.1
163.11130	9.0
163.14772	2.0
165.09099	2.2
165.12849	2.4
167.64438	2.5
169.09967	2.4
171.11717	2.0
173.09792	1.9
173.13165	3.9
175.11221	2.5
177.12767	2.2
183.11653	2.0
197.07266	56.1
225.06717	4.7
239.17950	2.9
247.20593	7.5
257.18967	7.0
275.20053	56.8
293.21030	27.1
294.10080	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.04460	1.7
53.03938	7.8
55.01870	9.3
55.05502	19.4
56.45788	1.9
57.03407	2.5
57.07073	13.1
67.05161	3.4
67.05501	41.5
69.07060	54.0
70.04387	9.8
71.04968	4.3
74.71241	2.0
79.05482	39.5
81.03397	9.0
81.07047	100.0
83.04977	5.4
83.08605	15.5
85.06566	2.1
86.80361	2.3
91.05463	23.6
93.07025	20.6
95.04946	25.3
95.08595	24.7
97.06526	8.7
97.10141	2.4
99.08108	3.4
105.07024	27.9
107.04954	12.2
107.08576	17.1
107.85043	1.8
109.06503	35.8
109.10151	9.5
111.08102	4.8
113.07235	1.9
115.07567	7.1
117.06973	10.5
119.08566	19.9
121.06465	7.2
121.10130	13.0
123.08066	9.9
123.11678	7.0
125.09632	2.8
126.99433	5.4
129.01030	3.9
131.04976	1.7
131.08531	13.5
133.06375	2.7
133.10118	20.4
135.08044	4.4
135.11684	7.6
137.09590	5.2
141.01027	6.8
143.08606	3.1
145.10109	10.3
147.11670	20.5
149.09596	7.6
149.13232	6.1
150.72282	1.9
151.11168	4.7
155.08641	1.9
157.10101	3.4
159.11691	8.1
161.09534	2.7
161.13228	4.1
163.10048	2.3
163.11140	12.5
163.14789	2.5
165.12764	7.2
171.11612	2.6
173.09607	2.8
173.13261	4.2
175.11230	4.3
177.12643	2.7
183.11639	3.3
193.12260	3.4
197.07268	26.1
201.12801	3.1
229.19502	2.8
239.17949	3.5
247.20531	5.9
257.18994	6.8
275.20050	65.5
281.87170	2.0
293.21063	48.4
294.10004	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	6.8
55.01868	26.0
55.05509	37.7
57.03423	3.4
57.07069	24.5
58.77935	2.0
66.53085	2.0
67.05499	39.9
69.03424	2.6
69.07059	71.2
70.07828	2.5
70.55685	3.8
70.56071	3.2
71.08610	3.7
72.66579	2.0
79.05485	61.5
81.03405	8.6
81.07047	41.2
83.04973	9.2
83.08608	19.0
85.06521	3.1
91.05470	36.6
93.07029	30.5
95.04983	13.3
95.08598	29.3
97.06532	27.8
97.10159	23.3
98.97548	2.3
105.07017	44.3
107.04955	13.3
107.07856	4.8
107.08583	81.5
107.09289	5.1
109.06503	9.5
109.10137	11.9
111.08076	3.7
115.07554	14.6
117.07033	11.1
119.08573	21.4
121.06503	4.6
121.10132	18.1
121.38795	2.2
123.04553	2.3
123.08089	8.6
123.11695	5.7
125.09618	17.7
126.99493	3.3
129.01048	7.1
129.07025	3.1
131.08585	17.8
133.10114	23.3
135.08054	5.1
135.11678	9.2
137.05960	14.9
137.09621	5.0
141.01004	8.9
143.08530	3.2
145.10094	17.6
147.11638	11.9
149.09604	24.2
149.13271	2.7
151.11176	9.3
155.02516	3.6
155.08435	2.4
157.10117	3.4
159.11705	12.9
161.13240	5.1
163.11156	7.8
165.09137	6.5
167.10635	3.1
171.11707	3.0
173.13254	5.5
175.11162	3.1
177.12784	3.1
179.14276	2.5
187.11246	3.9
187.14821	2.5
189.11215	10.6
197.07288	29.8
213.16266	3.5
229.19499	3.5
239.17926	3.0
247.20509	5.4
257.19019	14.1
275.20029	100.0
293.21103	21.3
294.10046	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	4.7
55.01873	10.7
55.05506	60.2
57.03427	8.7
57.07056	7.5
65.03930	2.7
67.05171	2.4
67.05501	38.1
69.03400	3.5
69.07062	33.6
69.92786	9.0
71.04990	3.6
79.05486	60.2
81.03403	6.8
81.07046	35.4
83.04973	10.1
83.08145	2.2
83.08612	32.2
85.02885	3.5
85.06531	3.2
91.05468	31.9
93.07037	40.9
95.04958	80.8
95.08601	24.9
97.06525	5.7
97.10159	26.3
98.20757	1.7
105.07027	26.9
107.04947	13.7
107.08585	60.1
109.06503	14.1
109.10125	13.7
111.04430	1.9
111.08069	4.4
115.07570	3.9
116.06177	2.0
117.07008	10.6
119.08572	24.2
121.06489	5.5
121.10143	19.8
123.08073	5.6
123.11665	4.8
125.09617	28.2
126.99439	1.8
128.06116	1.9
129.01039	1.8
129.06943	4.0
131.08553	17.6
133.10123	18.9
135.08035	7.2
135.11678	9.2
136.01773	1.7
137.09567	3.3
141.00977	4.8
143.08571	3.4
145.10114	19.8
147.08003	4.2
147.11711	10.1
149.09604	64.0
149.13232	1.7
151.11172	2.5
153.09050	4.3
157.10107	2.9
159.11668	12.5
161.13237	5.2
163.11153	21.8
165.12659	3.0
171.11650	3.2
173.11769	2.1
173.13240	2.4
175.11205	2.6
175.14789	1.6
177.12637	2.6
181.12231	2.6
183.11639	2.3
185.13225	2.4
187.11157	5.0
189.11195	19.8
193.12160	2.1
197.07237	11.1
197.13281	3.4
203.14374	2.1
205.12212	4.3
219.17413	6.8
221.15273	2.9
223.13281	34.6
229.19484	5.3
239.17941	4.2
247.20549	3.2
257.19006	13.5
275.20032	100.0
276.20328	2.5
293.21094	60.0
294.10013	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.42733	1.1
51.02369	1.5
53.03939	3.1
55.01866	8.8
55.05261	1.9
55.05507	30.0
56.96542	2.2
57.03435	2.0
57.07074	19.2
59.04982	1.6
65.03937	1.8
67.05499	24.4
69.03432	2.4
69.07065	68.1
69.78391	7.3
70.04062	1.4
70.07838	4.8
71.04993	2.7
79.05485	49.9
80.33254	1.4
81.03408	3.1
81.07053	24.2
82.07383	2.3
83.04980	3.8
83.08613	16.3
85.06544	2.1
91.05477	32.1
93.07039	21.6
93.47099	1.3
95.04957	5.7
95.08593	14.0
97.06538	7.7
97.10163	21.3
99.00008	2.4
105.07027	33.9
107.04951	8.2
107.08587	100.0
108.08907	2.6
109.06494	7.2
109.10162	7.9
111.08039	3.1
113.01537	2.1
115.07563	16.3
117.07019	7.5
119.04981	2.2
119.08562	14.4
121.06483	1.7
121.10142	7.7
123.11701	3.7
125.09613	18.7
126.99452	6.6
129.00983	7.4
129.07043	1.6
129.83183	1.3
131.08583	9.9
133.10117	13.5
135.08066	3.4
135.11678	4.4
141.01036	11.4
143.08614	2.1
143.10721	1.8
145.02914	1.8
145.10101	10.5
146.10483	1.6
147.08006	2.3
147.11708	10.3
149.09619	14.1
151.11122	1.8
153.09167	1.9
154.74625	1.4
155.02571	4.0
157.10185	3.2
159.11691	6.3
161.13225	3.9
163.11157	2.3
163.73151	1.5
169.10115	1.5
171.11681	3.0
173.13300	2.8
177.12730	1.4
181.12267	2.4
189.11183	12.5
197.07278	49.7
197.13179	1.8
205.10321	1.3
225.06851	3.1
229.19394	2.9
238.69476	1.3
239.17947	5.1
247.20578	3.5
257.19031	11.1
275.20032	68.8
276.20328	1.9
293.20758	11.0
293.27725	4.1
294.10059	15.1
294.13086	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	8.2
55.01862	11.1
55.05507	20.8
57.03439	17.5
57.07070	15.9
67.05500	39.6
69.03451	2.9
69.06712	4.6
69.07065	57.1
70.07825	2.9
70.72876	10.5
71.04981	3.4
79.05485	50.2
81.03415	4.7
81.07049	43.6
83.04953	4.2
83.08604	11.9
85.06546	6.5
87.75179	2.6
91.05471	40.5
93.07033	58.6
95.04961	15.1
95.08600	25.8
97.06522	18.0
97.10136	10.4
105.07016	40.9
107.04942	8.8
107.08586	58.6
109.06521	17.9
109.10130	10.2
111.08096	4.3
115.07543	12.2
117.07030	14.6
117.74593	2.6
119.08562	29.0
121.06477	4.8
121.10145	17.3
123.08006	6.6
123.11660	3.9
125.09623	8.9
129.00969	4.9
129.06995	7.7
131.08559	19.6
133.10129	25.7
135.08063	3.5
135.11714	7.3
137.09581	7.4
141.01054	4.1
143.08539	5.7
145.10101	19.6
147.11670	18.7
149.09581	18.2
149.13277	3.4
151.11140	5.5
155.02536	3.9
155.08493	3.2
157.10152	4.5
159.11665	18.5
161.13266	9.6
163.11179	5.9
165.09105	4.1
173.13240	6.9
175.03911	3.6
177.05443	7.0
183.11632	4.0
185.13277	13.4
187.11102	5.9
189.11250	3.2
190.48546	2.9
197.07272	30.6
201.12570	3.2
201.16312	5.1
203.14250	18.0
219.17404	48.7
221.15326	17.6
229.19498	3.2
233.11710	5.8
237.14670	3.2
239.17946	6.1
247.20685	3.8
257.18967	20.2
275.20035	100.0
293.21088	17.4
294.09998	12.2
295.48532	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03927	3.4
55.01865	6.2
55.05506	22.3
56.96554	3.9
57.03436	8.8
57.07070	30.3
58.31286	1.8
67.05496	35.6
69.07059	100.0
69.25293	1.9
69.88338	3.0
69.88634	11.4
70.07836	7.1
71.04978	4.4
79.05482	38.1
81.07042	43.0
83.04964	4.4
83.08634	9.0
85.06516	5.7
91.04953	3.7
91.05471	33.2
93.07034	33.8
94.04098	2.2
95.04974	9.6
95.08589	23.8
97.06518	5.8
97.10172	8.5
98.97603	3.3
98.99996	4.2
105.07013	36.1
107.04938	4.4
107.08582	44.3
109.06478	10.4
109.10112	9.8
109.93362	2.0
111.08023	2.3
112.11234	3.9
113.01561	2.5
115.07567	24.4
116.98576	2.5
117.07014	10.4
119.04908	3.3
119.08572	24.3
121.06495	3.5
121.10147	13.6
123.08056	4.6
123.11664	2.1
125.09663	7.1
126.99431	9.3
129.01048	13.8
129.06996	3.4
129.13911	2.5
131.08591	14.1
133.10120	17.9
134.69794	1.7
134.99657	2.8
135.08095	3.5
135.11690	5.1
137.09589	4.0
141.00999	17.0
143.08600	4.7
145.02831	2.9
145.10107	12.4
145.28783	1.9
147.04384	5.5
147.11674	13.8
149.09581	14.0
155.02603	8.0
157.10114	5.1
159.11688	15.1
161.13242	6.3
163.11160	5.7
165.09059	2.4
165.12694	2.2
169.10077	2.3
171.11588	3.4
173.13268	6.7
175.03873	2.9
177.00652	1.9
177.05489	2.5
185.13205	9.7
189.11212	4.6
197.07263	61.9
197.13295	2.7
201.16385	4.4
203.14319	7.8
205.15872	7.3
207.06557	3.4
219.17439	14.1
221.15465	9.0
225.06801	4.7
239.17976	7.2
257.18994	12.4
273.43515	1.9
275.20044	65.3
293.21069	17.8
294.10025	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	23.2
55.01868	12.8
55.05507	53.2
55.37464	2.0
57.07072	26.5
65.03925	3.0
67.05496	47.4
67.05833	4.7
69.07059	100.0
69.56993	7.7
69.57416	6.2
70.07841	6.4
75.72871	2.7
76.29781	2.1
77.03901	2.2
79.05485	37.1
81.03408	53.8
81.07046	39.3
83.04961	7.8
83.08607	79.9
85.06525	4.6
88.82866	1.9
91.05457	32.3
93.07031	26.5
95.04964	25.3
95.08593	20.1
97.06517	7.7
97.10161	2.0
99.00001	3.8
105.07033	24.1
107.04944	43.5
107.08572	15.7
109.06490	11.5
109.10167	4.1
111.04462	2.8
111.08062	14.5
115.07556	25.7
117.07006	12.5
119.08569	18.8
121.06511	5.9
121.10113	24.2
123.08048	5.7
126.99478	9.0
128.49315	2.2
129.01009	8.0
129.06981	4.5
130.07837	2.8
131.04964	4.6
131.08559	12.0
133.10143	11.2
135.08054	3.2
135.11664	11.2
137.09602	3.9
139.11172	2.8
139.81706	2.2
141.00995	17.4
145.06477	9.1
145.10109	29.6
147.07999	3.2
147.11673	11.1
149.09613	13.0
155.02550	7.4
155.08577	12.8
157.10027	2.8
159.11688	5.6
161.13210	3.7
163.11166	29.3
165.12750	10.1
173.09604	20.8
173.13251	3.5
175.11169	4.0
181.12212	3.7
191.10641	9.0
197.07259	62.2
199.44290	3.0
201.12706	3.0
223.13240	2.8
225.06805	3.9
228.32571	2.2
237.11061	2.5
247.20604	3.6
257.18939	5.7
275.20001	29.9
293.21082	99.2
294.09967	17.9
294.21381	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	3.7
55.01877	9.8
55.05506	87.4
55.47406	1.9
56.96555	5.8
57.03420	11.9
57.07073	20.2
59.04995	3.4
67.05502	46.8
69.03427	10.6
69.07061	88.5
69.74501	12.7
70.07822	4.9
71.04959	3.2
77.84387	1.8
79.05058	3.2
79.05489	46.9
81.03384	2.0
81.07047	47.2
83.04962	8.1
83.08135	3.2
83.08607	50.4
85.06528	5.6
91.05469	36.2
93.07040	33.3
95.04938	8.4
95.08601	27.8
97.06528	5.4
97.10161	100.0
98.97559	2.7
98.99999	3.8
101.09648	2.4
105.07020	24.7
107.04935	5.4
107.08582	51.3
109.06504	5.0
109.10146	16.1
111.08064	4.5
112.11179	2.0
115.07541	19.9
116.98610	4.4
117.07005	16.0
119.08590	16.8
121.06482	2.2
121.10123	16.2
123.08043	3.4
123.11692	2.7
125.09615	86.4
126.99439	5.4
129.01007	7.9
129.07056	2.2
129.13869	2.2
131.08554	19.7
133.10121	21.1
135.08037	8.7
135.11633	9.9
137.09592	4.3
139.07643	2.3
139.11163	2.2
141.00993	14.1
143.08554	4.2
143.10637	6.5
145.10112	10.3
147.04416	2.4
147.11670	8.4
149.01193	4.5
149.09634	12.0
149.13251	2.7
151.11188	2.3
153.09099	5.6
155.02565	4.3
156.03529	2.4
157.10065	2.6
159.11644	7.4
161.09654	3.2
161.13342	2.2
163.11124	5.5
167.02226	2.3
171.10219	4.4
171.11621	3.4
173.11723	2.7
173.13222	4.8
177.05461	3.6
181.12193	3.7
183.11685	2.9
185.13194	2.8
187.14726	2.6
189.11189	71.1
197.07269	49.4
201.16458	3.5
223.13216	2.1
225.06750	4.2
229.07484	2.1
229.19522	3.0
237.08705	2.1
239.18106	4.5
244.09567	3.1
257.18967	7.6
275.20044	53.5
284.12537	2.5
293.13177	3.0
293.21136	30.4
294.09875	16.4
299.40430	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	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19528	13.0
70.19938	6.4
77.73502	3.5
98.21033	7.6
197.07260	5.3
218.37006	3.9
245.26488	3.2
255.53488	3.7
293.06229	100.0
294.06744	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.00309	0.9
53.03939	2.9
55.01861	5.1
55.05504	14.7
57.03436	2.7
57.07065	9.7
65.03927	1.4
67.05498	30.6
67.92731	0.8
69.03421	2.4
69.07059	52.8
70.07832	2.2
70.72952	2.5
71.04977	2.7
71.08607	1.1
79.05128	0.6
79.05482	22.3
81.07047	33.7
83.04976	7.9
83.08614	6.3
85.06525	1.7
89.78566	0.9
91.05470	22.2
91.06008	1.7
93.07034	20.8
95.04963	9.6
95.08595	20.1
97.06522	5.3
97.10163	4.2
98.97586	1.0
98.99964	1.5
103.72195	1.1
105.07016	26.8
107.04948	5.6
107.08577	14.9
109.06502	9.0
109.10140	10.0
111.08060	2.5
113.33411	0.9
115.07551	9.6
117.07017	6.2
119.08577	13.2
121.06491	7.9
121.10134	9.1
123.08073	4.9
123.11691	3.3
125.09624	3.1
126.99442	3.3
129.01025	3.3
129.07025	1.4
131.08548	12.5
133.06483	2.2
133.10118	17.3
135.08060	4.9
135.11621	5.4
137.09616	2.8
141.01042	6.9
141.06990	1.0
143.08524	2.0
145.06468	1.4
145.10120	9.8
147.08035	3.2
147.11685	13.4
148.47018	0.9
149.09612	6.6
149.13264	2.8
151.11160	5.9
153.09122	1.0
155.02559	2.5
155.08536	2.0
157.10127	2.5
159.08096	1.5
159.11629	6.9
161.09624	2.8
161.13249	3.4
163.11122	5.0
165.12837	1.0
171.11700	1.4
173.09625	2.0
173.13263	4.3
175.11159	2.1
177.05470	1.3
177.12762	2.1
183.11755	1.7
187.11185	2.4
189.12688	1.4
191.14275	2.3
191.65620	0.9
197.07272	23.5
197.13208	1.7
201.12721	2.2
201.94037	0.9
207.13806	3.5
213.16351	1.0
215.14288	1.2
219.13809	4.6
225.06673	2.1
225.15036	1.2
229.19533	2.4
237.14906	1.5
239.17915	3.4
247.20528	2.6
250.75443	1.1
257.18967	15.2
258.19522	1.0
275.20023	100.0
276.20462	2.7
293.21106	22.8
294.09967	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	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60863	2.9
65.61919	2.7
68.12157	2.7
71.11711	6.8
71.12044	6.9
84.08121	5.6
84.31772	3.6
85.02895	3.8
87.44933	2.8
88.95749	3.0
91.05463	6.2
112.11251	7.1
117.03357	6.5
119.04895	5.3
129.05408	3.1
129.13885	5.1
132.91344	3.2
136.11389	3.3
143.01897	7.2
145.02866	8.8
161.02959	8.7
173.02997	8.3
175.03889	8.2
177.05473	12.7
197.07178	3.5
207.06490	6.7
229.06967	4.5
293.06287	100.0
293.11319	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	292.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63957	0.5
55.05467	0.7
56.96558	35.9
67.05485	0.9
67.81875	0.6
69.07026	0.8
70.22211	1.8
71.95251	3.4
72.95998	1.8
74.97575	0.9
77.13087	0.6
79.05464	0.8
81.07024	1.3
84.08126	0.8
92.98603	0.7
93.07008	1.5
95.08591	1.1
98.97590	0.7
105.06982	0.8
107.08560	0.8
111.08082	0.9
113.73337	0.5
115.00645	0.7
115.97826	0.7
116.98588	0.7
117.03304	0.5
119.08510	0.9
123.01103	0.6
128.98540	1.0
129.13882	0.6
133.01703	0.9
134.99606	1.2
137.02682	1.9
146.99640	1.2
147.03236	0.8
149.01140	0.7
151.07498	1.7
152.07846	1.3
155.03728	2.5
159.03180	1.4
167.03876	0.8
169.01660	0.8
169.05385	0.8
173.04819	2.1
177.04271	0.7
183.06897	0.7
185.04810	1.0
187.06352	1.6
195.06932	2.2
199.06305	2.5
203.05876	1.7
208.14105	1.2
211.09880	0.9
213.07951	20.0
215.09703	0.6
217.07419	4.9
220.10474	0.7
221.08443	1.4
223.09987	1.3
225.07962	7.4
231.09018	37.7
236.09616	1.7
239.09438	4.4
241.11032	0.9
243.09003	6.5
248.09616	0.7
249.10127	0.8
251.09465	10.6
254.10533	1.2
257.10599	5.1
269.10571	100.0
270.10944	0.8
287.11618	94.8
292.12198	14.1
292.19894	2.3
292.22784	0.7
293.12430	1.0
310.13162	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	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03931	3.0
55.01853	1.5
55.05257	2.1
55.05501	27.0
55.67515	1.1
56.96552	6.9
57.07067	16.5
59.04974	2.6
67.05495	31.5
69.03400	1.4
69.07057	45.4
70.06564	3.9
70.11698	4.9
71.04976	2.3
71.08622	7.2
79.05476	21.9
81.03409	1.7
81.07044	100.0
82.07349	2.8
83.04958	2.7
83.08607	21.6
84.08116	1.2
85.06525	6.6
85.10154	4.1
88.07605	3.5
91.05466	13.6
93.07029	49.5
95.04945	6.9
95.08593	92.5
96.08905	1.5
97.06521	3.9
97.10154	11.1
99.08060	3.3
105.07009	23.4
107.08579	50.3
109.06476	4.3
109.10141	44.4
111.08056	13.0
111.11736	6.3
117.06982	2.1
119.08561	19.8
121.10130	37.9
123.08054	3.1
123.11690	26.2
124.38165	1.3
125.09589	4.0
132.10184	4.9
133.10068	13.7
135.11668	25.7
137.09581	1.6
137.13246	12.9
139.11211	2.7
143.08513	1.5
145.10100	1.9
147.11659	13.4
149.13235	39.3
149.32698	1.2
150.11234	3.5
151.11398	2.2
151.14804	4.2
153.12775	1.9
153.57249	1.5
154.67754	1.4
161.13251	8.9
163.14792	20.3
165.12735	3.2
167.14267	2.4
171.29057	1.3
175.14822	4.4
177.16354	8.9
179.14244	2.0
179.17836	1.6
179.43163	1.5
181.15915	1.6
189.16312	4.1
191.17900	4.9
195.17569	1.5
195.96373	1.2
203.17982	4.6
210.40761	1.4
217.19444	4.2
235.20590	1.9
247.24550	2.3
249.18390	1.4
269.10577	5.2
273.25729	19.7
275.13220	1.7
287.11588	8.0
291.19656	3.6
291.26932	84.6
292.27341	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03924	1.6
55.01847	3.1
55.05505	31.4
56.96568	5.5
57.03428	1.3
57.06820	1.0
57.07069	11.8
59.04973	1.3
65.03918	1.9
67.05499	38.6
69.03407	3.0
69.07061	60.1
69.38839	5.5
69.39252	2.0
70.07384	1.0
70.74022	0.7
71.04983	5.2
71.08624	4.2
75.12527	0.7
76.49285	0.7
77.03894	1.2
78.29847	0.7
79.05484	18.0
81.03407	1.1
81.07050	93.6
82.07363	1.2
83.04977	4.3
83.08611	30.1
84.08129	1.8
85.06535	7.1
85.10146	1.2
91.05476	10.7
93.07034	41.9
95.04963	4.6
95.08597	100.0
96.08913	1.6
97.06520	6.0
97.10149	11.4
98.97576	5.9
99.08070	3.4
105.06376	1.3
105.07023	16.7
107.08585	45.8
109.06541	3.7
109.10146	52.1
110.10444	0.9
111.07354	1.1
111.08074	16.1
111.11717	5.9
112.11227	1.9
113.09640	2.0
116.98618	5.4
117.06992	1.7
119.08578	15.4
121.10132	28.4
123.08063	2.3
123.11694	34.4
124.12070	0.9
125.09617	5.2
125.13281	1.8
127.11198	1.4
129.13875	1.0
131.08568	2.0
133.10118	10.9
134.99643	3.6
135.08069	1.2
135.11673	20.9
137.09576	1.4
137.13243	13.8
139.11150	4.0
145.10120	2.7
146.99641	0.8
147.11662	13.8
149.09631	1.1
149.13237	26.3
151.07494	0.9
151.11168	2.6
151.14769	3.0
153.12750	2.9
157.10083	1.1
158.99586	0.9
159.11668	1.4
161.01198	3.4
161.09663	1.3
161.13239	9.8
163.14804	18.2
164.15178	0.9
165.12708	3.0
165.16373	2.5
167.14265	2.0
171.11632	1.1
175.14821	4.6
176.25159	0.8
177.00732	1.3
177.16382	9.5
179.14322	1.0
179.17892	0.9
181.15866	1.6
187.14929	0.9
189.00677	2.0
189.12814	0.9
189.16393	3.8
191.17960	3.8
193.19440	1.4
195.17474	0.9
201.00703	2.3
203.17908	3.5
205.19469	1.4
209.18950	1.4
215.14383	0.9
217.19485	6.5
219.01715	2.3
221.18951	1.6
231.21126	1.1
233.22665	1.3
235.20618	2.3
247.24290	1.3
249.02782	2.2
273.18500	2.9
273.25754	12.8
275.13345	1.2
291.20059	6.0
291.26785	43.1
292.27066	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	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03936	4.0
55.01861	3.3
55.05505	34.3
56.96559	7.0
57.03416	3.4
57.06809	1.9
57.07070	19.6
59.04984	1.5
65.03928	1.8
67.05496	44.9
69.03418	4.5
69.07062	68.6
69.51933	8.3
71.04969	4.5
71.08624	12.1
71.81064	1.1
79.05061	1.9
79.05486	30.2
81.03408	9.7
81.07047	100.0
82.07371	2.3
83.04961	4.0
83.08609	27.4
84.08120	3.5
85.06525	9.0
85.10170	3.0
91.05473	23.1
93.07034	67.9
94.07372	2.0
95.04965	14.2
95.08597	93.9
97.06516	5.2
97.10162	13.7
98.97580	6.7
99.08051	3.6
103.05401	1.5
105.07018	35.6
107.04970	1.6
107.08582	70.2
109.02886	1.4
109.06498	9.8
109.10141	48.8
111.08064	6.7
111.11686	7.4
112.11201	2.9
113.09677	1.4
116.98602	5.3
117.07006	4.9
119.04946	1.9
119.08569	29.0
121.06477	2.8
121.10126	51.3
123.08090	6.7
123.11688	24.7
125.09579	2.9
127.11173	2.0
131.08517	4.5
133.06471	2.0
133.10114	22.6
134.99641	4.8
135.08041	6.9
135.11671	27.1
137.09631	6.9
137.13261	11.2
139.11172	2.9
145.10118	4.3
146.99631	1.8
147.04358	4.4
147.11673	22.4
149.09566	2.0
149.13242	61.8
151.07538	2.3
151.11215	2.3
151.14822	5.0
153.00682	1.6
153.09137	1.6
153.12723	2.4
157.10165	1.7
159.11653	1.5
160.72427	1.1
161.01201	2.8
161.09615	2.5
161.13235	17.3
163.14807	20.5
165.12738	4.7
165.16354	3.5
171.11710	2.2
173.13217	1.2
175.14810	5.5
177.00687	1.7
177.16382	6.9
179.08511	1.2
179.14314	3.3
179.17929	1.7
186.12737	1.7
189.00706	2.2
189.16397	7.0
191.17934	4.2
201.00711	1.6
201.13036	1.8
203.17906	4.7
215.14380	1.6
217.19453	5.9
219.01701	1.5
231.21022	1.6
233.22516	1.3
235.20549	3.0
245.22517	1.3
249.02802	1.4
249.14905	1.3
255.17409	1.5
273.18594	7.2
273.25739	23.7
275.13422	1.8
283.64600	1.6
291.08493	2.0
291.19739	14.2
291.26785	82.6
292.10922	1.4
292.19702	1.9
292.27167	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	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02353	1.0
51.26131	0.9
53.03936	2.9
55.05262	1.4
55.05502	17.7
57.07064	2.1
59.04977	1.5
63.29679	0.9
65.03919	2.5
67.05495	37.6
69.06720	1.2
69.07057	14.7
69.77693	5.2
71.04966	1.1
73.06535	1.4
79.05482	65.4
81.07044	50.5
83.04970	1.4
83.08611	8.0
85.06532	4.3
91.05463	27.9
93.07030	100.0
94.07352	1.4
95.04956	10.2
95.08593	30.7
95.56483	0.8
97.06492	2.3
97.10131	4.4
99.08064	1.0
102.34491	0.9
105.04519	1.0
105.07014	18.6
107.08578	54.4
108.59270	0.8
109.06475	3.5
109.10139	15.7
109.44094	0.8
111.08051	1.1
117.06992	3.2
119.08568	16.0
121.06425	1.2
121.10123	44.2
123.08038	2.7
123.11675	3.5
125.09527	1.2
128.37697	0.8
129.06972	2.4
131.08517	6.2
133.10110	14.1
135.08044	1.9
135.11670	53.3
136.11969	1.4
136.69159	0.9
137.09598	1.5
137.13197	1.1
143.08522	2.1
145.10106	5.5
147.11670	12.2
149.09598	3.9
149.13240	33.9
150.13486	1.3
151.11122	1.5
157.10072	3.8
159.11658	4.1
161.13260	10.1
163.11153	5.3
163.14789	10.2
171.11650	4.4
173.13251	2.3
175.11179	2.3
175.14783	5.4
177.12747	3.7
185.13199	2.6
189.12717	1.7
195.13751	0.9
199.14726	2.6
203.14304	2.2
207.13870	1.1
209.15314	3.3
213.16365	2.8
217.15825	1.9
217.19450	3.1
221.15314	1.6
223.16805	0.9
231.20987	1.5
233.15262	0.9
235.16879	2.8
241.19479	5.6
249.18486	2.4
259.20551	8.2
291.19739	3.2
291.23123	59.9
292.23456	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03927	4.4
55.01864	15.0
55.05502	34.8
56.96548	10.0
57.03413	5.8
57.07054	5.1
59.04976	2.0
65.03921	3.3
67.05495	44.2
67.56656	1.3
68.99751	1.8
69.03433	6.3
69.07057	31.1
70.03825	6.6
71.04977	6.4
71.08614	2.0
79.05480	52.9
81.03404	8.5
81.07045	71.6
83.04965	9.1
83.08605	16.7
85.02909	1.4
85.06520	5.9
90.57816	1.3
91.05466	48.0
93.07028	46.1
95.04956	21.7
95.08592	52.1
97.02867	1.3
97.06532	8.2
97.10151	11.4
98.21444	1.8
98.97563	5.9
99.08076	2.8
105.03349	3.1
105.07018	36.0
107.04938	22.6
107.08581	32.6
109.02841	1.3
109.06503	13.9
109.10143	23.9
111.08060	6.9
114.33250	1.2
115.05412	2.7
116.06202	1.8
116.98593	6.7
117.06995	22.1
119.04906	4.5
119.08566	46.5
121.06483	16.7
121.10112	22.5
123.04393	4.4
123.08044	10.3
123.11696	8.4
125.05952	1.4
125.09615	8.5
128.06180	3.2
129.06972	9.7
130.07761	1.6
130.93245	1.5
131.08545	26.5
132.05704	2.4
133.06480	12.3
133.10110	19.4
134.99620	4.7
135.08032	19.5
135.10820	1.3
135.11639	7.9
137.05974	2.2
137.09622	7.2
137.13234	2.5
139.07492	1.8
139.11115	2.4
142.07748	2.0
143.08548	12.7
145.10109	21.0
147.08028	25.5
147.11649	8.2
149.02228	2.3
149.09605	24.7
149.13231	5.1
151.07533	3.1
151.11183	3.5
151.14806	2.5
153.09052	2.7
155.08582	1.6
157.10080	9.8
159.07997	4.1
159.11688	7.8
161.01212	4.3
161.09613	12.7
161.13243	4.3
163.11133	5.4
163.14790	2.5
165.09059	4.6
167.10625	1.7
169.10133	3.0
171.11703	7.2
173.06673	2.0
173.09628	2.6
173.13188	1.6
175.11101	7.2
175.14796	1.8
177.00752	1.8
177.09097	3.2
177.12700	3.3
179.10670	4.1
185.09549	2.0
185.13164	3.1
187.11151	3.2
189.00671	2.5
189.11188	3.2
189.12695	4.2
189.14304	1.3
195.11630	2.7
195.82147	1.2
199.11227	1.6
201.00632	1.7
203.10677	1.4
203.14383	1.6
205.12193	2.7
207.13725	1.7
213.12737	1.6
213.16377	1.8
217.15912	2.2
217.19553	2.3
219.01697	2.1
223.13350	2.6
227.17935	5.2
235.13310	2.0
237.16431	3.0
245.18951	6.7
249.02948	1.6
249.14856	4.8
255.17418	7.5
263.20041	4.1
266.13245	1.6
273.18433	49.2
273.25763	2.3
277.06653	3.5
283.13876	3.0
284.14230	2.1
285.13800	1.6
291.19510	100.0
291.26450	6.1
295.32791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	9.4
55.01864	17.9
55.05503	52.9
56.96544	5.8
57.03415	5.7
57.07068	9.0
59.05005	7.3
65.03931	5.4
67.05494	62.0
69.03405	9.2
69.07059	39.0
69.86260	18.2
71.04985	10.9
71.49294	3.6
79.05482	87.1
81.03368	4.7
81.07046	100.0
83.04975	13.1
83.08603	28.4
85.06518	7.6
91.05470	85.0
93.06461	6.6
93.07031	95.3
95.04979	23.8
95.08601	61.8
97.06524	8.6
97.10171	18.7
98.14226	3.1
98.97578	7.5
105.07014	71.3
106.07377	3.2
107.04951	18.3
107.08582	50.7
109.06511	23.7
109.10134	18.9
111.08063	69.8
115.05426	10.2
116.06225	3.7
116.98594	6.0
117.07020	46.2
118.25520	3.2
119.01842	3.8
119.04945	4.7
119.08562	56.2
121.06488	14.2
121.10126	37.2
123.08042	35.1
123.11725	6.1
125.09580	9.8
128.06206	10.4
128.90434	3.4
129.06999	19.9
130.07884	6.3
131.08540	79.6
133.06479	10.8
133.10114	25.8
134.99695	3.8
135.08040	18.6
135.11655	14.1
137.09601	4.1
139.11168	7.2
141.06966	6.2
143.08531	51.9
145.06458	5.2
145.10097	76.8
147.08011	27.0
147.11664	14.2
149.09598	12.8
149.13229	10.4
151.07526	94.9
155.08514	3.4
157.10091	17.9
159.08063	7.3
159.11685	14.7
161.09624	11.7
161.13263	7.2
163.11147	12.1
165.09186	3.0
169.10124	7.6
171.11700	13.5
173.09538	3.0
173.13252	8.3
175.11182	8.2
177.09099	8.4
179.10629	8.1
183.11681	3.9
185.09634	3.6
185.13251	6.2
189.11172	5.4
189.12659	30.7
191.10580	4.1
192.11418	6.2
195.11687	7.7
196.18237	3.6
197.11723	11.3
199.11252	3.9
207.13782	59.4
213.12834	3.2
217.12234	5.1
223.13312	3.0
233.15387	5.2
237.16324	7.5
245.19099	6.1
249.02730	4.8
249.14980	3.5
249.18393	3.9
255.17485	12.8
273.18451	47.4
291.19492	97.5
291.26691	9.9
292.63263	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	1.9
55.05507	9.5
56.96552	4.5
57.03423	2.1
57.07059	3.7
58.91893	1.0
59.04987	2.9
67.05501	8.5
69.03414	4.2
69.07045	4.6
70.22060	3.0
70.22461	1.6
71.04975	3.3
79.05492	11.1
81.03400	1.3
81.07041	12.6
83.04967	3.1
83.08612	12.1
85.06538	1.7
91.05470	8.5
93.07034	14.9
93.69360	1.1
95.04983	7.8
95.07983	1.3
95.08593	20.9
97.06523	4.2
98.97558	2.9
105.07024	11.0
107.04948	13.1
107.08595	13.6
109.06517	8.0
109.10126	5.1
111.08066	46.7
113.09616	2.7
116.98663	1.4
117.06986	2.7
119.08562	10.7
121.06468	3.3
121.10146	9.1
122.07259	1.7
123.08062	36.3
123.11709	2.9
125.09584	2.1
128.06142	1.1
129.06993	1.6
131.08595	6.6
133.06525	3.3
133.10114	10.2
134.99648	2.3
135.08034	6.5
135.11694	2.3
137.09605	3.2
142.07803	1.5
143.08566	1.8
145.10101	5.5
147.08041	3.6
147.11658	4.8
149.09605	8.4
149.13226	1.7
151.07524	100.0
155.10680	1.9
156.09326	2.3
157.10121	5.3
159.08032	1.5
161.09608	4.2
161.13249	1.2
163.11194	4.0
168.44740	1.1
169.10162	1.1
171.11682	3.8
173.09575	1.4
173.13257	6.4
174.10298	1.9
175.11185	6.5
177.09030	2.2
179.10654	6.1
181.12202	1.4
187.14842	2.6
189.12717	30.3
190.13451	1.1
191.10666	1.7
191.14281	15.9
192.11403	5.5
197.11720	13.1
197.13301	2.0
207.13779	67.9
211.13292	1.1
213.07896	1.6
213.16411	2.2
215.14299	4.3
217.12267	3.8
231.09000	4.3
231.17380	2.9
233.15341	41.1
235.13300	1.7
236.98914	1.0
249.18498	2.1
255.17514	2.9
269.10556	8.5
273.18384	7.3
287.11526	5.8
291.19507	48.0
291.26740	1.7
292.12167	1.4
292.19965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	4.9
55.01662	1.2
55.01870	13.8
55.05505	29.1
56.96554	2.0
57.03426	4.4
57.07066	1.7
65.03914	2.3
65.04285	1.1
67.05164	2.2
67.05497	30.0
69.03402	5.6
69.07057	18.5
71.04977	2.3
71.42176	2.8
79.05486	46.0
81.03404	6.1
81.07050	71.3
83.04987	6.6
83.08622	11.2
85.06523	1.7
88.07639	2.1
91.05472	31.4
93.07035	33.8
95.04964	27.4
95.08595	19.6
97.06512	4.6
97.10159	10.0
99.08082	1.6
102.09178	1.4
103.05416	1.7
103.68288	1.5
105.03371	2.3
105.07018	23.7
107.04928	13.6
107.08585	18.6
108.05759	1.3
108.38031	1.3
109.06507	12.6
109.10127	9.0
111.04386	2.6
111.08074	4.2
115.05411	1.7
116.98586	1.5
117.07005	21.2
119.04951	3.3
119.07787	2.5
119.08572	36.5
121.06497	14.4
121.10140	10.5
123.08051	20.0
125.09624	9.0
128.06181	1.5
129.06985	10.2
131.08548	16.8
133.06505	6.8
133.10094	7.7
134.07188	1.2
135.08043	13.7
135.11661	5.1
137.09583	5.7
142.40395	1.4
143.08545	9.3
145.06430	1.9
145.10117	17.9
147.08040	20.2
147.11659	4.4
149.09612	9.5
149.13274	2.3
151.07530	2.0
153.09070	3.7
157.10104	8.5
159.08015	3.7
159.11729	5.9
161.09576	9.1
163.11185	14.2
164.80573	1.4
165.09082	4.6
171.11679	3.2
173.13246	2.2
175.11172	4.4
177.98883	1.4
185.09627	1.8
185.13269	2.7
187.11128	1.3
189.11157	5.8
189.12695	2.1
193.12212	5.0
193.26324	1.3
203.14227	1.5
223.13269	6.6
227.17921	2.0
229.23538	4.9
237.16325	2.1
245.19057	4.3
249.14922	7.7
255.17381	5.7
273.18454	36.7
291.19504	100.0
291.26965	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	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05495	3.7
57.07064	2.8
59.04980	2.8
67.05481	4.0
69.03406	1.6
69.07056	2.2
70.84253	2.7
71.04970	2.7
79.05493	4.4
81.07056	7.1
83.04955	2.1
83.08587	2.5
85.06528	1.6
91.05453	3.5
93.07032	10.4
95.04958	5.3
95.08594	11.9
96.78388	0.8
97.06495	2.5
98.36780	0.9
105.02194	0.9
105.07014	8.8
107.04951	4.6
107.08595	6.6
109.06519	7.0
109.10125	3.8
109.65908	0.8
111.08069	23.5
113.09671	1.0
117.06923	2.3
119.08575	8.3
121.06519	1.4
121.10148	5.2
122.07275	1.3
123.08054	35.8
123.08948	2.1
123.11674	1.5
129.07089	1.0
131.08583	5.8
133.06474	2.4
133.10118	6.4
135.08017	4.1
135.11650	3.8
137.09560	3.0
138.84377	0.9
140.58540	0.8
143.08553	2.6
145.10126	10.2
147.08005	2.3
147.11693	5.3
149.09592	4.0
151.07524	100.0
153.08942	0.9
156.09377	1.6
157.10138	2.8
159.08073	1.8
159.11673	2.5
161.09560	4.7
161.13232	1.8
163.11111	2.6
171.11679	3.6
173.13257	3.5
174.10480	1.5
175.11165	3.6
177.09090	1.3
177.12714	1.6
179.10614	4.4
187.11139	2.2
189.11044	2.1
189.12706	29.1
191.10526	1.1
191.14322	3.4
192.11388	4.4
194.61659	1.0
197.11690	16.0
197.13269	1.7
197.30750	0.9
203.14319	1.1
207.13777	69.4
213.16299	1.7
215.14285	3.4
217.12169	3.4
231.17378	1.5
233.15337	11.4
235.13304	1.8
255.17479	2.4
273.18448	5.0
291.19501	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	291.1951
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03933	2.6
55.01868	6.5
55.05505	17.7
56.26634	0.7
57.03421	1.6
59.04955	1.0
67.05170	0.9
67.05497	14.1
69.03413	2.9
69.07056	6.1
70.11499	3.2
71.04986	1.3
79.05482	28.8
81.03410	2.3
81.07048	29.6
83.04956	2.4
83.08611	7.9
91.05470	20.7
93.07032	15.8
95.04956	12.0
95.08596	9.0
97.10159	8.9
103.05466	1.3
105.03372	2.3
105.07018	15.0
107.04935	8.7
107.08584	9.1
108.81477	0.6
109.06553	3.3
109.10140	4.0
111.08039	0.8
115.05475	1.1
116.06208	1.3
117.07004	14.1
118.04081	0.7
119.04919	2.9
119.08560	23.3
121.06487	9.6
121.10137	5.3
123.08026	3.1
125.09611	6.7
128.06219	2.1
129.06981	5.6
130.07738	1.1
131.08548	8.1
131.10828	0.6
132.05598	0.7
133.06479	6.3
133.10118	3.2
134.07242	1.4
135.08034	5.8
135.11656	1.9
137.09625	1.2
142.52246	0.7
143.08540	4.9
145.06454	1.9
145.10109	10.6
147.08029	15.0
147.11653	1.6
149.09636	4.6
153.09174	0.9
155.08450	0.8
157.06482	1.0
157.10106	4.4
159.08009	1.5
159.11674	3.2
161.09605	5.2
163.11162	3.3
165.09192	0.8
169.10037	1.1
171.11649	2.4
173.09718	0.8
175.11203	2.2
185.13197	2.0
189.11249	3.5
189.12686	1.1
195.11736	0.8
199.11162	0.9
199.24629	0.8
213.12787	0.7
223.13252	2.9
227.17960	1.7
237.16336	1.0
245.19023	1.8
249.14830	9.4
255.17403	2.9
273.18448	20.9
291.19501	100.0
292.19754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
57.18857	1.2
58.28279	1.5
58.93934	1.2
59.05210	1.3
66.75377	1.4
81.03407	1.8
87.00783	2.3
88.03996	2.5
103.05434	1.6
115.05416	7.7
117.05753	1.5
118.06557	15.4
129.07016	2.1
130.06519	100.0
130.72192	1.4
132.08084	41.9
142.06528	16.0
144.08073	5.9
146.06003	20.9
156.02956	1.9
156.08072	5.2
157.07614	7.2
158.06050	3.4
158.08394	6.2
159.09167	97.8
160.07579	7.6
160.09467	2.6
167.05971	3.1
169.07672	4.0
170.05998	37.3
170.07451	2.1
171.06848	1.5
181.07550	2.9
182.78966	1.3
183.09143	3.6
184.07587	18.3
185.07086	46.6
187.08681	4.8
188.07042	40.5
199.08633	2.1
200.07072	9.5
201.10255	12.7
209.07162	3.3
227.08131	48.2
229.09743	2.0
231.07686	2.9
245.09192	78.2
255.07671	4.5
273.08716	5.8
285.61127	1.5
291.09924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1045
Annotation	ROSOLIC ACID
Peak:m/z	Relative Intensity
50.37140	0.4
69.57227	2.8
69.57640	1.1
70.06587	1.1
72.93336	0.5
78.54208	0.5
128.07056	0.6
130.53557	0.5
159.02783	1.0
161.67361	0.4
186.91708	0.8
215.10194	0.6
291.10483	100.0
292.10840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03926	8.5
53.96067	2.9
55.01873	16.0
55.05505	35.5
56.22263	3.2
56.96545	5.9
57.03423	3.0
57.07061	4.5
61.88475	2.4
65.03925	2.7
67.05231	2.6
67.05504	32.6
69.03413	7.4
69.07041	9.8
71.04968	4.1
71.59705	5.5
76.82366	2.9
79.05060	4.8
79.05486	71.3
81.07052	68.1
83.04961	4.1
83.08624	17.7
91.05474	46.8
93.07034	41.2
95.04956	26.6
95.08604	23.3
97.06509	4.5
97.10160	14.8
98.18654	2.5
98.97568	3.0
101.72332	2.7
105.03380	5.6
105.06464	3.3
105.07027	33.0
107.04935	18.2
107.08617	19.5
109.06509	13.9
109.10135	8.2
115.05469	4.9
116.98593	4.1
117.07019	35.5
119.04922	6.8
119.08577	61.3
121.06498	27.1
121.10141	16.3
123.08077	6.1
125.09621	19.0
128.06210	5.0
129.06964	13.5
131.08588	18.2
133.06464	11.4
133.10109	12.2
134.99675	3.3
135.08002	20.0
135.11649	7.8
143.08563	11.7
144.09357	3.9
145.06438	3.4
145.10138	28.2
146.97488	3.0
147.08022	41.6
147.11674	6.9
149.09584	19.1
151.07532	3.6
157.10081	9.6
159.08119	4.4
159.11684	9.6
161.09589	8.7
161.13313	3.1
163.11118	4.7
167.08586	3.2
171.11702	6.4
174.71587	3.2
181.44991	2.8
185.13226	5.9
189.11179	9.0
189.12772	4.0
217.15872	2.8
223.13324	6.2
227.17996	4.9
237.16338	4.4
249.14801	18.9
255.17418	7.7
273.18442	53.1
291.19522	100.0
291.22858	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	291.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.2
56.96563	67.3
69.03406	14.8
70.06584	23.6
70.54804	22.7
71.04968	9.6
72.93781	58.6
80.17662	9.1
81.03401	15.6
84.08127	10.5
84.96031	10.8
90.94796	67.8
95.04964	15.4
97.02863	9.8
98.97564	51.6
104.96370	30.3
107.24353	8.6
108.95852	29.0
109.02829	12.9
116.98603	66.9
120.13934	9.0
120.95848	11.9
122.97399	31.5
123.04425	10.4
130.06511	71.3
132.95850	62.6
134.04494	12.3
134.99643	45.7
136.06184	26.1
146.97336	14.7
146.99614	26.9
147.04375	16.8
150.96841	56.0
161.01172	11.8
161.02484	10.6
162.96877	15.5
164.98459	25.9
170.99677	10.3
177.00679	36.1
188.94838	23.6
189.01979	17.1
206.95834	59.9
217.01350	18.1
221.00761	21.9
230.95862	100.0
235.02277	28.1
237.02827	28.1
248.96907	37.9
259.04306	13.2
263.00912	19.2
276.02478	12.2
291.01273	30.8
291.04309	13.0
291.07822	22.3
291.10501	33.2
292.01688	11.4
309.08484	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	291.0861
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
50.62592	0.3
51.02378	0.5
53.03935	0.3
55.01868	2.1
56.96561	0.8
57.30380	0.3
59.06117	0.5
65.03928	1.4
67.05519	1.5
68.99790	2.4
72.08147	0.6
72.34666	0.3
77.03925	0.4
79.05477	0.5
81.03395	0.5
83.04984	1.8
84.08163	0.3
85.02896	0.8
89.03951	0.4
91.05473	2.5
93.03404	1.6
93.07033	0.6
94.07391	0.4
95.04966	4.2
97.02890	1.0
98.21452	0.6
100.75474	0.4
103.05464	0.4
105.03381	1.4
105.07024	0.5
107.04958	0.7
108.67643	0.4
109.02817	0.4
111.04440	3.8
114.10313	0.6
115.05466	1.7
119.04932	7.2
120.05340	0.3
121.02843	0.6
121.06499	5.4
122.06838	5.7
123.04420	69.2
124.04752	1.0
127.03917	1.9
130.06557	0.4
131.04893	0.7
133.02838	0.9
133.06476	1.6
135.04346	0.6
137.02310	1.0
137.05972	1.2
139.03891	100.0
140.04250	1.0
143.04918	3.1
145.02844	0.6
147.04401	25.7
148.04762	0.4
149.05957	0.4
151.03931	3.1
151.07581	0.3
153.01828	2.0
153.05513	0.8
154.02161	1.2
154.04970	0.5
158.97252	0.3
159.04425	0.5
161.02296	1.1
161.05966	8.5
163.03905	2.8
163.07579	0.4
165.05464	14.8
166.05801	0.7
169.04987	1.9
171.04274	0.4
174.03027	0.4
177.05511	0.9
179.03421	1.1
179.07018	3.4
181.04947	0.7
189.01826	1.4
189.05447	2.7
191.03342	0.6
192.04172	0.4
198.97008	0.4
202.02625	0.5
207.02896	0.6
207.06497	6.1
217.01306	3.1
217.13379	0.5
219.02887	0.9
230.02002	0.3
231.06435	0.4
235.02361	2.3
245.01051	1.7
245.04398	0.4
247.02394	0.7
249.07719	1.5
256.73184	0.3
258.01559	0.4
259.02481	0.4
263.01224	1.2
273.00241	0.8
273.03867	1.2
273.07462	1.5
273.12234	0.6
274.07953	0.4
276.02637	8.4
285.98703	0.5
290.53430	0.3
291.01312	2.8
291.04950	8.5
291.08572	4.9
291.13336	0.8
291.18082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0973
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
53.03949	0.2
64.60081	0.2
74.02442	2.4
88.03987	3.7
91.05484	0.3
95.04958	0.4
98.21515	0.4
103.05462	0.5
116.03457	1.5
121.19402	0.2
124.07529	0.3
130.06516	100.0
131.06825	1.4
134.04475	8.9
138.09123	0.8
147.04376	0.3
148.08742	0.2
154.04993	0.7
154.06447	0.2
156.08080	0.3
158.06036	0.2
176.07098	0.5
182.06015	0.5
185.07080	0.5
199.08635	1.1
200.10727	0.3
218.11716	0.3
227.08124	0.6
228.10265	1.1
241.09700	0.5
242.10530	0.8
243.11256	0.5
245.04486	0.3
245.09227	0.6
245.12889	0.8
246.11250	0.3
255.11305	0.3
260.11517	0.3
263.00793	0.3
273.03906	0.3
273.08771	0.8
273.12347	1.2
274.10745	0.5
291.04645	0.3
291.09747	0.8
291.13388	3.3
291.16330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98708	0.8
53.03939	1.9
53.28756	0.8
55.01860	1.3
55.05501	9.5
56.96556	39.3
56.96836	2.3
57.03423	1.5
57.07078	5.9
67.05500	15.8
69.03411	2.8
69.07062	24.6
69.07448	1.3
71.04989	2.1
71.08623	4.7
71.58735	1.2
71.95258	1.2
75.83193	0.9
79.05489	8.9
81.03408	2.2
81.07050	42.5
83.04967	1.2
83.08607	9.4
84.96028	8.3
85.02876	1.3
85.06536	4.7
88.81824	0.8
91.05472	5.7
93.07026	14.4
94.07362	1.0
95.04961	2.5
95.08595	37.2
95.64166	0.9
97.06536	2.9
97.10172	4.4
98.97572	82.3
99.08088	1.9
102.97050	1.4
105.07019	8.4
107.04940	1.7
107.08585	20.8
109.06505	3.2
109.10143	20.9
110.97557	27.2
110.98329	1.8
111.08057	4.9
111.11713	2.9
112.11289	0.9
113.01927	0.9
115.20922	0.8
116.98608	79.9
117.07047	2.1
119.08534	5.7
121.06570	1.1
121.10129	11.9
123.08036	1.0
123.11701	19.5
124.99092	1.1
125.09564	2.5
125.13290	1.0
128.98592	75.5
131.00169	2.9
131.08539	2.2
133.02805	0.9
133.10109	4.4
134.99643	65.9
135.08052	1.9
135.11682	12.5
137.13258	9.1
139.11169	2.2
140.00191	4.5
140.98572	1.5
143.00157	5.8
144.98076	1.6
145.10081	1.5
146.99638	100.0
147.04451	2.8
147.11688	4.0
149.01184	5.1
149.13248	11.8
151.11157	1.0
151.14838	1.6
152.00171	2.4
153.00682	8.6
153.01772	1.8
153.12720	1.6
155.00114	4.5
157.10110	1.3
158.01254	5.0
158.99655	7.1
159.08032	1.7
161.01204	26.1
161.13258	2.1
162.02841	1.0
162.99141	3.5
163.03920	1.4
163.14778	4.8
165.00700	14.3
167.02231	1.2
167.14301	1.4
170.01227	6.4
170.99628	35.3
173.01190	12.8
173.02512	1.1
175.14812	1.4
177.00681	11.7
177.01981	1.3
177.16348	2.9
179.02258	7.7
182.99658	2.8
184.02840	2.6
188.02342	1.1
189.00693	56.1
191.02254	4.3
191.17897	1.5
201.00708	18.0
202.03908	1.3
203.17911	1.1
207.01756	7.1
207.13844	1.0
209.13406	0.9
212.02292	5.2
213.00629	2.5
217.19536	2.2
219.01775	6.5
231.01709	22.4
245.18863	1.0
247.24193	1.4
249.02797	98.6
250.03300	1.4
267.03827	20.4
272.04330	10.4
273.25803	2.6
291.19601	5.6
291.26758	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	290.211
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.05509	1.2
55.65109	0.2
56.96539	0.6
57.03424	0.3
57.07064	0.4
59.04983	0.9
66.52500	0.2
67.05476	0.7
69.03400	0.3
69.07057	5.5
71.41929	0.4
73.06533	2.3
79.05477	0.5
81.07047	1.7
83.04975	0.4
83.08586	0.3
83.25314	0.2
91.05466	0.7
93.07023	2.0
94.07392	0.6
95.04926	0.5
95.08584	1.5
96.08921	0.3
97.06518	0.5
98.97538	0.4
105.07011	1.0
107.08567	0.9
108.08905	0.4
109.10149	0.6
116.98631	0.7
117.07006	0.5
118.06525	16.5
119.07375	0.3
119.08568	0.6
120.08060	0.2
120.45945	0.2
121.10091	0.8
122.10448	0.3
123.11710	0.6
130.06485	0.2
131.08504	0.4
132.08061	5.5
132.08989	0.5
133.08865	2.7
133.09831	0.4
134.09587	1.3
134.99620	0.4
137.13208	0.3
146.09615	5.2
147.10408	0.5
147.11600	0.2
148.11093	0.3
149.13255	0.4
153.01773	0.4
160.11171	0.4
176.14319	79.3
177.14638	2.1
216.13844	0.3
216.24571	0.3
234.14960	0.4
246.14958	0.3
260.16827	0.3
263.00943	0.5
267.10907	0.3
272.24454	0.3
290.21097	100.0
291.21539	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	290.211
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01845	1.2
55.05507	1.6
56.96539	1.3
57.03408	0.3
57.07068	3.5
58.06575	0.4
67.05478	1.3
67.26183	0.3
69.03391	0.6
69.07058	4.0
69.48270	2.7
70.06583	6.8
71.08593	1.0
73.02901	2.4
73.06538	1.8
73.60310	0.4
79.05455	1.0
81.07051	3.0
82.07381	0.5
83.08579	0.8
84.08118	0.9
85.10167	0.7
88.07619	6.2
91.05445	1.2
93.07033	3.5
94.07357	1.3
95.04945	0.7
95.08601	2.4
96.05260	0.4
97.06538	0.5
97.10140	0.4
98.21465	0.7
98.97556	0.8
100.07611	0.3
105.06995	1.1
106.07318	0.4
106.08631	1.3
107.08559	1.4
109.06508	0.5
109.10125	1.2
114.09180	2.6
116.98584	1.1
118.06531	10.5
118.08637	0.9
119.07333	0.4
119.08543	1.4
121.10175	0.8
123.11678	0.8
131.08571	0.6
132.08070	3.9
132.08943	0.4
132.09146	0.6
132.10187	10.1
133.08875	1.6
133.10089	1.1
133.68483	0.4
134.09634	0.6
134.55550	0.3
134.99617	1.1
135.11665	0.4
137.13248	0.4
145.10139	0.3
146.09599	3.6
147.10403	0.4
147.11575	0.4
148.11130	0.4
150.11237	7.8
161.13228	0.4
176.14322	45.9
177.14624	1.2
189.06006	0.5
202.15811	0.8
232.13286	0.8
246.14806	1.4
246.24348	2.4
260.16452	0.8
272.24500	0.5
273.18356	0.5
290.21121	100.0
290.26709	39.1
291.21524	3.6
291.27045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03930	3.6
55.05505	13.6
57.03422	2.7
57.07066	6.5
65.03912	1.1
67.05495	17.2
69.03407	2.6
69.07058	25.5
70.06573	1.2
70.41723	2.9
71.04993	2.1
71.08599	2.9
76.00370	0.8
79.05482	12.5
81.03382	1.8
81.07047	47.2
83.04961	1.8
83.08609	10.7
84.67407	0.8
85.06516	3.6
85.10147	0.9
87.60293	0.8
91.04900	1.1
91.05464	20.0
93.07031	100.0
94.07356	0.9
95.04955	33.6
95.08591	31.9
97.06512	2.6
97.10158	4.3
98.97614	1.2
99.08080	1.8
99.27229	0.9
105.04454	1.5
105.07020	23.3
107.08585	29.7
109.02869	0.9
109.06499	3.9
109.10137	16.5
111.08078	4.3
111.11699	1.9
117.07018	2.5
118.06488	1.4
119.08559	21.0
121.06475	3.1
121.10128	23.8
123.08035	2.4
123.11687	10.4
125.09592	1.6
131.08531	6.2
133.10117	14.1
135.08076	1.9
135.11670	11.4
137.13185	5.0
139.11157	1.8
145.10091	10.7
146.71738	0.9
147.11671	16.6
149.09619	2.7
149.13248	10.6
151.11147	2.5
154.51912	1.0
159.10611	1.1
159.11702	11.7
161.13229	11.9
163.11153	3.1
163.14789	6.7
165.12682	1.4
173.13274	4.3
175.14796	7.6
176.14276	5.4
177.12738	3.1
177.16374	2.7
180.89932	1.0
187.14824	3.1
189.16345	3.6
191.14377	0.9
191.18010	1.6
195.17398	5.7
201.16360	3.7
203.18028	0.9
215.17877	6.3
217.19470	1.0
223.01180	0.9
228.23215	2.3
229.19559	2.1
231.21115	1.9
236.91458	1.0
245.22664	1.2
261.25726	0.9
271.24179	16.1
289.18271	1.9
289.25214	45.7
290.21118	7.1
290.26572	3.0
314.37387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.39986	0.7
53.03940	3.0
53.80961	0.7
55.05508	9.9
57.03434	2.2
57.07075	4.9
59.04983	0.8
59.51260	0.7
63.13927	0.7
65.03925	1.2
67.05502	14.4
69.03423	2.0
69.07064	19.2
69.42069	5.0
69.42477	2.0
71.04987	1.2
71.08631	2.4
79.05489	11.0
81.03407	1.1
81.07054	36.8
83.04971	1.1
83.08609	8.5
85.06530	2.5
91.05478	20.0
93.07039	100.0
94.07333	0.9
95.04968	21.7
95.08604	31.5
97.06528	2.6
97.10174	3.1
105.04520	1.0
105.06295	0.8
105.07026	15.7
107.08593	25.2
109.06508	3.4
109.10159	15.5
111.08057	4.4
111.11668	1.0
113.09633	0.8
117.06994	1.9
119.08577	14.3
120.08862	0.8
121.06512	1.5
121.10133	20.8
123.08111	1.0
123.11684	10.9
125.09686	1.0
127.03931	0.8
129.06982	1.2
130.07770	0.8
131.08545	3.7
133.10112	10.8
135.08064	1.8
135.11703	9.0
137.09616	1.8
137.13226	3.6
139.11169	1.5
145.10133	8.1
147.11676	8.6
149.09619	1.3
149.13235	9.1
151.11197	1.7
159.11678	11.2
161.13261	8.8
163.11153	3.5
163.14815	5.4
165.05554	0.7
165.12662	0.9
173.13309	3.8
175.14841	5.1
177.12796	2.7
177.16405	2.7
187.14809	2.6
189.16383	2.3
191.17924	1.4
195.17427	6.2
201.16377	2.5
203.17937	1.2
215.17964	5.2
217.19467	1.2
219.17511	0.8
229.19551	1.5
231.21022	2.3
233.19086	1.5
261.25635	0.9
271.24194	13.8
289.25232	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	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03947	3.9
55.05505	15.6
56.96553	8.2
57.07068	9.7
67.05496	18.7
69.03413	3.6
69.07064	29.0
70.06583	3.3
71.04989	5.6
71.08611	3.8
71.59339	2.2
79.05482	17.7
81.07050	55.0
83.04974	3.6
83.08618	8.2
85.06521	2.3
88.07622	5.5
91.05460	21.3
93.07034	100.0
94.07355	2.0
95.04972	20.1
95.08594	46.0
97.06529	3.9
97.10149	4.8
98.97585	8.5
105.07021	24.4
107.08582	33.4
109.06508	5.5
109.10130	21.0
111.08073	2.6
111.11695	2.1
116.00263	2.2
116.98621	8.2
117.07008	4.2
119.08567	23.4
121.06480	3.2
121.10132	26.7
123.08066	1.9
123.11710	17.4
125.09641	2.1
127.03889	2.6
127.11192	1.7
128.98631	1.9
131.08553	8.7
133.10129	15.4
134.99672	6.8
135.08083	3.8
135.11708	12.4
137.05972	2.4
137.09569	4.1
137.13232	8.0
139.11220	2.3
143.08575	2.8
145.10077	13.3
147.07951	2.4
147.11688	14.0
147.12729	2.2
149.02312	3.2
149.05914	1.9
149.09622	5.8
149.13234	15.2
151.11195	2.0
156.09451	2.2
157.10173	3.2
159.08078	3.0
159.11662	10.6
161.13231	10.8
163.11215	5.2
163.14830	4.8
165.12721	4.7
171.11722	4.0
173.13304	7.5
175.14801	5.1
176.14270	2.5
177.00720	6.3
177.12724	3.6
177.16429	2.8
187.14818	3.1
189.16388	4.0
193.14117	2.2
193.15837	2.2
195.17395	5.5
201.16377	2.8
203.17923	4.0
205.15858	2.5
215.18036	5.6
228.23164	4.3
229.19513	3.1
237.02792	2.0
253.19557	2.1
271.14255	2.3
271.16965	3.5
271.20621	2.9
271.24188	11.0
289.08670	2.3
289.18256	14.2
289.21613	5.4
289.25128	41.8
290.21423	2.1
290.26871	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	289.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12008	4.3
50.22733	5.0
55.01865	7.0
55.05510	10.4
63.15064	4.7
66.71062	5.0
67.05492	18.2
69.03417	6.8
69.07057	19.2
69.31239	56.2
71.04985	16.7
76.12542	5.5
79.05470	29.7
81.07053	55.3
83.04969	18.0
83.08618	7.2
85.06530	13.1
91.05470	18.6
92.54907	4.7
93.07022	68.9
95.04965	19.0
95.08587	47.3
97.06513	35.3
99.04420	20.9
105.07009	34.7
107.04961	12.9
107.08595	30.1
109.06490	26.6
109.10155	11.0
111.08068	21.8
113.05973	5.3
119.04904	5.6
119.08569	20.4
121.06496	85.0
121.10132	5.7
123.08082	5.4
123.11672	12.3
125.05968	12.5
127.07504	9.5
129.07037	8.4
131.05005	6.1
133.10120	21.0
135.08034	13.3
137.05960	7.5
139.07526	22.8
143.07014	10.2
143.08571	9.2
145.10115	9.7
147.08017	11.2
147.11676	58.3
151.11163	12.6
153.01830	17.1
157.08644	12.7
157.10104	16.1
159.06491	15.4
161.13245	11.1
165.12750	13.0
169.12242	23.2
171.11646	12.3
175.11166	34.8
189.12733	29.1
193.12247	37.4
197.06044	5.8
199.11165	36.3
207.13802	17.2
211.13266	37.5
215.07156	6.3
217.12178	93.6
229.14383	10.1
235.13287	100.0
253.14261	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03932	3.4
55.01853	3.3
55.05504	24.9
56.96567	5.1
57.03424	2.0
57.07071	9.2
61.02929	1.4
65.03924	2.1
67.05495	30.6
69.03419	6.7
69.07061	34.6
69.36101	10.7
71.04968	4.8
71.08607	3.9
72.93777	1.1
73.06522	1.4
79.05483	23.9
81.03392	2.6
81.07048	100.0
82.07370	1.2
82.86340	0.9
83.04953	3.4
83.08611	13.9
85.02900	9.4
85.06513	4.1
87.04436	1.1
91.03950	1.0
91.05472	17.7
93.07034	64.5
95.04963	14.8
95.08597	61.2
97.02872	3.2
97.06524	6.9
97.10147	7.7
98.97564	2.3
99.08043	1.6
103.05453	1.3
105.07019	34.2
107.04932	2.2
107.08582	51.4
109.06491	6.8
109.10146	38.6
111.08119	4.9
111.11697	3.0
116.98534	1.5
117.06996	3.3
119.08566	29.8
121.06487	3.9
121.09311	2.0
121.10132	31.0
122.07232	1.2
123.08046	4.2
123.11694	29.6
124.07592	1.1
125.09631	2.6
127.03875	2.9
127.11194	1.2
129.06938	1.3
131.08534	7.0
132.95798	2.4
133.10114	28.2
134.99669	1.6
135.08064	5.3
135.11685	22.0
137.05922	1.6
137.09601	3.4
137.13249	10.0
139.11150	2.4
142.07727	1.1
145.05008	1.9
145.06386	1.6
145.10110	12.1
147.11684	23.5
149.05901	1.1
149.09564	2.4
149.13246	17.5
150.96829	1.5
151.11162	13.5
153.01778	1.4
153.09047	1.3
153.12709	1.1
155.08530	1.7
159.08058	1.2
159.11703	12.7
161.09572	1.9
161.13240	14.2
163.11205	3.1
163.14822	8.2
164.11742	1.2
165.12727	14.1
171.11790	1.3
173.13258	6.8
174.96814	2.3
175.11153	1.5
175.14809	8.8
177.12860	2.2
177.16312	5.1
179.14249	2.1
181.12143	1.4
183.42671	1.0
187.14751	5.1
189.16383	4.4
191.17917	2.8
193.15961	1.4
199.11652	1.4
201.16331	4.3
203.14322	1.1
203.17883	2.2
215.17899	7.2
217.19650	1.6
229.19485	1.7
231.21028	1.9
233.18935	2.0
245.22528	1.9
271.14044	1.2
271.16772	1.4
271.24164	12.0
289.03308	2.3
289.06113	3.2
289.15134	3.3
289.18231	5.4
289.21777	7.6
289.25201	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1546
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03938	1.3
55.01868	0.6
55.05511	4.0
56.96568	2.4
57.03424	1.5
57.07066	1.4
59.22060	0.5
67.05502	3.7
69.03420	1.9
69.07077	5.4
70.26511	0.9
70.26904	0.9
71.04979	0.8
71.08622	1.1
77.03944	0.5
79.05486	4.3
80.05037	0.6
81.03396	0.8
81.07053	10.7
83.04970	1.7
83.08619	2.0
85.02901	1.7
85.06548	0.7
88.17634	0.5
91.05471	8.9
93.07042	15.7
94.06566	1.9
95.04969	4.6
95.08601	8.2
96.08138	2.1
97.02869	1.0
97.06510	1.1
97.10152	1.0
98.97627	0.5
99.08076	0.6
105.07024	6.0
106.06554	1.6
107.04977	1.0
107.08593	7.0
108.08104	1.0
109.06518	1.8
109.10153	4.4
111.08083	1.8
116.04945	1.2
116.98672	0.7
117.05749	1.6
117.07038	0.8
118.06541	4.9
119.07325	0.8
119.08569	5.2
120.08103	13.3
121.06546	1.0
121.10140	5.6
122.09682	0.8
123.08102	1.4
123.11703	2.8
124.07582	10.3
126.09160	0.9
129.07031	0.8
131.08601	2.5
133.05263	0.5
133.10144	3.6
134.06018	4.9
134.99641	1.5
135.08055	2.2
135.11661	2.9
136.07578	6.9
137.06006	0.6
137.13261	1.3
138.05481	2.5
138.09062	0.8
143.08562	1.1
144.41586	0.5
145.10104	3.2
146.05998	3.9
147.06805	2.4
147.08002	1.1
147.11674	2.4
148.07570	11.3
149.09651	1.1
149.13269	2.1
150.09164	1.0
151.11194	0.8
152.07037	2.0
153.01854	1.4
157.10054	1.1
159.08055	1.8
159.11719	2.4
161.09631	1.3
161.13239	2.3
163.11139	1.2
163.14830	1.3
164.07066	100.0
165.07500	1.8
166.08649	3.9
169.10173	0.9
171.11708	1.2
173.09563	1.1
173.13268	1.6
174.12723	0.6
175.14806	1.0
177.09065	0.6
177.12784	0.7
177.16345	0.8
185.13260	0.5
187.11140	2.0
187.14848	0.9
195.11653	0.5
195.17491	0.7
200.10782	0.8
201.16344	0.6
211.14719	0.6
212.03174	0.5
213.12776	1.4
214.10950	0.9
215.15370	1.6
215.17824	1.3
216.10251	2.2
216.60677	0.5
218.61562	0.5
226.12257	0.8
227.03586	0.6
228.10184	0.7
229.13567	1.1
229.15898	3.3
231.13876	0.9
231.20995	0.6
233.11752	0.8
243.14923	5.5
243.17278	1.0
245.16508	2.7
253.13321	1.9
253.15846	0.6
254.11700	1.0
263.00394	0.5
271.14413	21.4
271.16983	3.7
271.24130	2.4
272.14749	0.8
288.62744	0.9
289.15436	74.3
289.18008	4.7
289.25040	6.3
290.15793	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	289.1541
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
52.52384	0.4
53.03917	0.4
55.01855	0.5
55.05481	0.6
56.96540	2.6
57.03420	1.0
59.79870	0.4
67.05500	0.8
67.63880	0.4
68.99773	0.6
69.03447	0.4
69.07044	1.1
70.90720	0.9
70.91049	0.8
71.04984	3.8
79.05489	1.9
80.04990	1.0
81.05768	0.9
81.07030	1.3
85.02891	4.4
91.05449	5.4
92.06252	0.7
93.07024	0.7
94.06551	1.3
95.04933	0.6
95.08578	0.9
96.08102	2.6
98.56129	0.4
98.97540	0.6
103.05429	0.6
104.04958	0.7
105.06984	1.4
106.06522	1.8
107.08593	0.9
108.08092	1.2
109.10155	0.5
116.04936	0.9
116.98603	0.5
117.05721	1.2
118.06523	5.4
119.07301	0.7
120.07227	0.8
120.08083	13.4
121.10130	0.7
122.09657	0.9
124.07571	10.9
126.09116	1.3
127.03891	0.5
133.06477	0.7
134.05989	5.0
135.04384	0.9
136.07552	7.0
138.05453	3.0
138.09050	0.7
146.05965	4.9
147.06804	2.7
148.07547	10.5
150.09161	1.1
152.07014	1.4
153.01790	5.1
163.03838	2.7
164.07036	100.0
165.07436	2.4
166.08621	3.6
167.06955	2.3
171.02771	0.5
187.03918	0.6
194.09351	0.5
197.01196	1.3
200.10706	0.8
211.02690	0.7
214.10860	0.5
215.01910	0.5
215.15425	2.7
216.10197	2.6
223.02780	0.5
225.07782	0.7
226.12091	0.5
227.02266	0.7
228.10155	0.5
229.13289	1.9
232.09885	0.4
234.08296	2.5
234.58388	0.9
236.36732	0.4
241.03743	0.5
242.04503	1.3
243.02963	0.5
243.14888	5.7
244.03461	0.4
245.16393	2.9
253.13298	1.4
254.11769	0.8
254.95401	0.4
257.06967	1.2
260.05655	1.0
261.03857	0.8
271.14352	22.4
272.14615	0.6
285.06491	0.6
289.03308	3.8
289.06696	3.4
289.15405	77.0
290.04138	2.5
290.15674	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	289.0913
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03930	0.4
57.03431	0.3
61.02894	0.7
66.31517	0.2
69.03418	1.7
71.04995	0.3
73.02890	0.4
74.46967	0.2
81.03396	0.9
85.02412	0.4
85.02892	4.4
97.02852	1.5
99.04429	0.5
109.02852	1.1
120.70193	0.2
127.03894	100.0
128.04221	1.3
130.06505	0.5
132.04422	0.6
145.04912	0.6
157.07573	0.3
158.05972	0.6
229.56142	0.2
243.07692	1.4
289.09155	0.3
289.12500	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	289.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77810	1.1
55.24642	1.1
56.96554	4.7
59.89440	1.2
69.03405	3.1
69.07052	1.5
70.06590	2.1
71.58604	3.0
72.26405	1.2
72.93780	2.6
81.03408	1.7
83.04937	1.5
85.02888	3.7
90.94823	1.4
97.02879	3.6
98.97575	2.5
99.04443	1.3
105.26605	1.2
109.02847	2.2
116.98638	2.2
119.01884	1.8
122.05984	2.8
126.88286	1.3
127.03907	38.8
130.06491	5.5
132.95857	1.7
134.99620	3.2
146.99657	2.5
150.05534	1.8
150.96831	2.4
153.01768	1.9
157.07603	6.7
158.05978	5.9
197.07109	1.7
203.08066	2.9
271.07443	1.5
286.22873	1.6
289.00012	1.5
289.03439	3.4
289.08966	9.3
289.12524	100.0
290.12927	1.5
303.01346	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	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
54.88976	0.5
55.01864	0.6
65.03928	1.8
67.01861	0.8
68.99781	3.6
69.03413	1.2
69.62978	4.2
75.58941	0.5
79.05481	1.9
91.05453	0.9
93.03423	0.7
95.04977	2.6
97.02868	0.8
98.20770	1.1
107.04945	68.6
111.04428	3.5
119.04927	3.1
121.02855	11.6
123.04401	1.1
126.80971	0.5
127.03923	1.1
128.98502	0.6
131.04926	1.5
131.08540	0.5
132.76077	0.5
135.04414	5.0
139.03920	3.0
141.06993	4.2
144.05687	1.0
145.06461	0.7
147.04402	1.7
147.08031	1.9
149.02327	72.5
150.02678	0.7
153.01813	100.0
154.02393	0.6
159.08005	0.9
162.15976	0.5
163.03876	3.6
167.03398	8.6
169.06485	5.0
171.02898	1.1
173.05966	1.2
181.06404	0.6
187.07477	1.3
195.02872	11.2
197.05977	7.4
201.05286	0.9
213.05481	0.8
215.07002	59.8
216.07462	0.9
225.05580	0.9
229.05049	0.6
242.05678	3.1
243.06505	65.2
244.06812	1.1
271.06006	15.3
289.07028	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	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03936	0.4
56.96545	0.5
57.03436	0.4
61.02892	0.6
66.08395	0.3
69.03420	1.5
69.51823	1.8
69.52248	0.9
70.06588	0.5
79.69939	0.3
81.03399	0.9
85.02900	4.4
97.02901	1.2
99.04465	0.3
109.02859	0.5
112.51031	0.3
127.03909	100.0
128.04268	1.2
130.06598	0.4
145.04958	0.5
153.01939	0.3
157.07590	0.4
159.82018	0.3
191.03767	0.4
197.98857	0.4
203.08218	0.4
221.01163	0.4
233.87643	0.3
289.03323	0.6
289.12570	1.7
303.01596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2365
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03923	1.2
55.05496	6.2
56.96542	1.1
57.07046	3.0
67.05233	0.6
67.05495	6.7
69.07056	8.1
70.78559	1.4
70.78925	1.7
72.08125	1.3
79.05481	10.2
81.07042	24.6
83.04966	1.3
83.08604	4.1
90.09171	1.6
91.05465	7.0
93.07030	46.1
95.04952	2.6
95.08595	15.6
97.06445	0.8
97.10132	1.1
99.08057	1.0
103.05470	0.9
105.07009	11.9
107.08565	12.0
109.06493	2.1
109.09448	1.1
109.10139	13.4
111.08041	1.9
117.07009	0.9
119.08562	11.0
121.02842	1.0
121.06466	2.3
121.10126	44.4
122.10412	1.3
123.08034	3.9
123.11690	39.5
124.98613	0.7
125.09598	2.3
131.08563	3.1
133.10110	7.7
135.08026	3.7
135.11671	5.6
137.09576	2.6
137.13206	2.7
142.07761	1.0
143.08533	1.9
145.10103	5.9
147.07945	0.7
147.11681	5.9
149.09596	89.6
149.13220	2.9
150.09901	1.6
151.11108	0.7
153.01805	1.3
157.10062	3.6
159.11653	7.1
161.09628	1.0
161.13272	4.4
163.11134	5.3
163.14772	3.1
165.12703	1.0
171.11661	2.7
173.13220	5.3
175.11163	1.4
175.14803	11.7
177.12689	1.6
177.16414	3.5
179.14342	1.1
185.13232	2.0
187.14839	3.2
189.16330	2.0
190.95377	1.5
191.14322	1.9
199.14761	4.5
201.16341	2.0
203.14253	1.9
203.17975	1.2
205.15793	1.8
206.16623	1.4
213.16322	3.4
215.17938	0.9
217.15839	2.3
227.17920	1.7
229.19421	7.4
231.17358	3.1
232.96384	0.9
241.19579	0.8
243.20973	2.1
245.18956	1.4
245.22505	0.8
251.74590	0.6
252.46712	0.8
259.24152	2.4
268.71213	0.6
269.22577	13.8
269.25479	1.1
287.05457	12.1
287.23636	100.0
287.31149	10.3
288.24017	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	288.127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
56.96558	100.0
67.05490	1.9
68.05822	0.8
69.03419	2.3
69.07055	2.6
69.55132	0.8
71.59214	1.4
74.97595	1.9
76.06881	1.1
79.05510	1.5
81.03384	0.9
81.07052	2.8
85.02897	4.2
86.09817	0.9
91.05472	1.4
92.98642	2.0
93.07027	2.6
95.08629	1.5
97.02872	2.3
98.97581	3.0
105.07034	2.0
107.08574	1.9
108.03432	0.9
109.06506	0.9
109.10169	1.4
110.07142	2.2
110.99651	1.0
116.98605	3.4
119.08566	2.1
121.10078	1.4
127.03811	1.1
131.08598	1.2
133.10123	2.7
134.99640	1.8
137.09581	1.5
150.96812	1.0
153.01797	1.1
155.03766	1.1
159.03249	2.0
167.03757	1.3
173.04889	1.2
177.00667	1.3
183.03305	4.1
185.04750	1.3
187.02809	1.5
190.59261	1.0
197.04845	7.6
197.08141	1.0
201.04292	4.7
207.03391	2.9
209.04863	3.9
211.06352	1.5
213.07921	1.5
215.05908	10.9
223.06378	2.6
225.04289	6.6
227.05820	2.1
229.07335	1.2
230.04608	1.1
231.09064	1.3
233.06931	1.9
237.07942	2.2
239.09451	1.1
241.07449	1.6
243.05394	2.1
245.08482	4.1
247.09937	8.7
258.07599	2.1
263.09515	9.3
265.11078	45.7
266.11407	1.2
281.10522	5.8
283.12128	92.4
284.12469	1.7
288.05927	4.3
288.12332	13.6
288.19504	4.8
288.24237	2.0
301.13269	4.3
306.13715	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	287.2366
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03941	2.0
55.05500	6.1
56.96560	1.3
57.03417	0.5
57.07069	2.9
65.03913	0.7
67.05495	8.8
68.99816	0.6
69.03422	0.8
69.07056	9.3
69.07402	0.8
70.06577	3.2
71.04992	0.7
72.08108	0.8
77.00899	0.8
79.05482	10.5
81.07044	26.7
81.87102	0.6
83.04984	0.6
83.08610	4.5
85.06512	0.7
85.91580	0.5
91.05463	9.9
93.07030	53.4
94.07349	0.7
95.01940	1.0
95.04951	3.2
95.08592	16.2
97.06530	1.0
97.10155	1.2
99.08080	1.3
103.05474	0.8
105.07014	12.2
106.07809	0.6
107.04933	0.8
107.07858	0.9
107.08579	14.3
109.06506	3.0
109.10147	14.5
111.08062	2.2
116.06226	0.6
116.98648	1.0
117.06970	1.5
119.08562	12.3
121.06476	3.3
121.10129	49.2
122.07265	0.8
122.10448	1.0
123.08083	2.9
123.11692	48.4
124.12054	0.7
125.09604	1.8
129.07008	1.7
130.93274	0.6
131.07706	0.6
131.08531	3.1
133.10114	8.6
135.08035	7.0
135.11668	6.2
136.08827	2.0
137.09573	5.7
137.13275	1.8
143.08554	2.4
145.10098	5.7
147.08051	1.1
147.11647	5.7
149.09599	98.4
149.13164	4.0
150.09982	2.2
153.01834	0.8
157.10092	3.4
159.11671	8.9
161.09634	1.5
161.13249	5.1
163.11179	6.2
163.14827	3.4
165.12708	1.4
165.16429	0.7
169.10117	0.6
171.05077	1.3
171.11693	3.4
171.38316	0.6
173.06610	2.7
173.13235	7.4
175.11121	1.2
175.14809	10.0
177.12675	1.1
177.16362	2.8
179.14275	1.6
185.13264	2.3
187.08173	0.9
187.14786	2.4
189.12796	1.5
189.16388	3.0
190.95393	1.9
191.14313	2.5
191.17818	0.7
199.08209	0.8
199.14764	4.8
201.09680	2.4
201.16360	2.1
203.14299	1.2
203.17987	1.2
205.15894	2.9
205.17616	0.6
206.16592	6.7
207.17346	0.9
208.96365	1.2
209.10202	0.6
213.16302	4.9
215.17909	1.3
217.15889	2.2
219.10727	0.6
219.17505	1.4
227.17935	2.1
229.12859	1.3
229.19492	9.1
231.17458	2.2
232.96422	0.9
241.19554	1.0
243.21089	1.5
245.19011	1.1
247.11832	0.7
250.97592	1.3
257.15793	0.7
259.24240	2.3
265.12790	7.1
269.22598	12.5
283.13898	12.8
287.05481	10.0
287.23645	100.0
288.05750	0.9
288.14407	1.3
288.24075	2.9
306.15274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2001
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
51.02368	0.4
51.64635	0.2
52.05215	0.2
53.03927	1.1
55.01867	0.7
55.05254	0.3
55.05503	3.7
55.05750	0.4
57.03419	0.2
57.07052	0.5
58.29182	0.2
60.46812	0.2
65.03919	0.5
67.05495	7.9
69.03407	0.4
69.07056	3.6
70.13151	1.0
71.04977	0.2
77.03879	0.3
79.05481	10.3
81.03416	0.3
81.07043	8.3
81.81884	0.2
83.04971	0.7
83.08607	2.7
86.01338	0.2
91.04877	0.3
91.05465	11.0
93.07030	26.5
94.07385	0.3
95.04958	3.4
95.08594	5.5
97.02859	0.3
97.06505	0.4
97.10169	0.6
103.05460	1.3
105.04521	0.5
105.07016	15.2
106.07789	0.9
107.04933	0.8
107.08578	12.6
109.06511	1.5
109.10139	19.0
111.04432	3.5
115.05415	0.3
117.06997	1.5
119.08566	10.1
120.09310	0.3
121.10124	100.0
122.10416	1.1
123.08036	1.9
123.11687	3.8
125.05964	0.9
128.06203	0.5
129.06999	1.5
131.08548	2.5
131.97385	0.2
133.06511	0.4
133.07529	0.3
133.10117	8.1
134.10876	0.3
135.08063	0.6
135.11671	7.3
136.29987	0.2
137.05980	0.9
137.09578	0.4
137.13258	0.4
139.07431	0.3
141.06987	0.4
142.07767	1.1
143.08556	2.5
144.09311	0.5
145.06471	0.2
145.10104	3.0
147.08055	1.4
147.11652	3.2
149.09595	3.0
149.13258	0.9
151.07536	0.6
151.11183	0.4
155.08517	0.5
156.09322	1.4
157.10092	3.1
158.10912	0.4
159.08026	0.5
159.11681	2.7
161.09589	1.1
161.13228	1.6
163.07527	0.5
163.11195	0.4
163.14803	0.3
165.09053	1.5
167.10689	0.3
169.10107	0.8
170.10907	0.5
171.08026	0.4
171.11656	3.4
172.12454	0.3
173.09645	0.6
173.13232	2.4
175.11124	0.5
175.14804	0.9
177.09116	0.4
177.16368	1.2
179.10645	0.9
181.09976	0.2
183.06429	0.2
183.11649	0.4
184.08841	0.4
185.09625	1.4
185.13225	2.8
186.13548	0.2
187.11159	1.4
187.14777	2.8
189.09135	0.3
189.16360	2.7
190.95470	0.3
191.10609	0.5
191.14317	0.3
193.12198	0.4
195.11646	0.5
197.13234	0.3
198.10446	0.3
199.11143	2.8
199.14783	1.4
201.12660	0.8
201.16333	0.6
203.10648	1.0
203.14207	0.3
205.12170	1.3
206.92683	0.2
209.13223	0.4
211.14702	0.3
213.12697	2.3
213.16341	0.7
217.12199	2.3
219.13765	0.7
225.16306	0.8
227.14236	0.8
227.17903	3.6
229.19473	0.3
231.13788	2.1
232.96300	0.2
239.17984	0.2
241.15912	0.4
241.16975	0.2
241.19481	2.9
243.21028	0.3
245.15295	0.6
251.17871	0.7
269.18982	5.4
269.22253	0.3
283.13742	0.5
287.05505	1.6
287.19958	14.1
287.23550	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01853	0.2
60.31736	0.1
65.03928	0.4
67.01859	1.2
67.03654	0.1
67.05513	0.1
68.99428	0.2
68.99786	2.1
69.03413	0.3
69.36684	0.9
79.05482	0.8
81.03394	0.3
81.07024	0.2
83.04967	0.1
89.03907	0.4
91.05443	0.6
93.07032	0.1
94.04175	0.1
95.04955	0.5
95.08620	0.1
97.02917	0.1
97.06499	0.1
99.15816	0.1
103.05453	0.6
105.03400	0.5
105.07027	0.5
107.04943	1.1
107.08558	0.1
109.02874	0.6
109.06525	0.3
111.00793	1.0
111.04430	0.6
115.05463	0.3
117.03387	0.4
117.07008	0.3
119.04916	0.2
121.02860	4.3
121.03835	0.2
121.06490	1.0
122.03689	0.1
127.03918	0.2
128.06235	0.2
129.01852	0.2
129.06995	0.3
130.06529	0.2
131.04884	0.5
133.02847	0.4
133.06517	0.2
134.03642	0.2
135.04408	2.7
135.08022	1.0
137.02338	1.9
137.05975	1.9
139.05429	0.2
141.06987	0.3
143.04916	0.2
145.06487	0.5
147.04387	1.1
148.05156	0.2
149.05963	1.3
151.03877	0.2
151.07527	1.0
152.06216	1.1
153.01816	12.7
154.02187	0.1
156.09328	0.1
157.06462	1.2
161.02292	0.8
161.05946	0.4
162.06729	0.2
163.03915	0.2
163.07539	1.8
165.01811	2.0
165.06972	0.6
165.09090	0.2
166.02467	0.1
166.07796	0.8
167.04979	0.1
167.07095	0.2
167.08551	3.3
169.06476	0.4
171.02864	1.1
171.04390	0.6
173.05885	0.2
174.06848	0.1
175.03893	0.1
175.07530	0.2
177.05528	0.1
177.07011	0.3
179.03360	0.3
179.08604	0.1
180.83931	0.1
181.06485	0.2
181.10115	0.2
182.05949	0.2
183.02885	0.9
183.07976	0.2
184.08789	0.3
185.05972	0.9
189.05479	0.3
190.95244	0.1
194.07248	0.4
195.08051	4.0
196.08794	0.2
197.05966	1.0
199.03888	0.1
199.11154	0.1
201.05579	0.1
203.03383	0.1
203.07022	0.2
205.15356	0.1
209.09637	0.5
211.07578	0.3
212.08310	0.8
213.05457	2.2
216.04106	0.2
223.07495	1.2
225.05470	0.2
227.10634	4.1
229.04974	0.3
231.06482	0.9
237.09052	0.2
240.07741	0.3
241.04922	1.6
242.05688	0.1
243.06557	0.2
245.04332	0.1
255.10152	3.4
256.10904	0.2
257.04422	0.1
258.05219	1.8
259.05957	0.6
259.13712	0.1
263.05496	0.1
269.04410	0.7
269.12054	0.1
272.10172	0.1
287.05469	100.0
288.05798	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
53.65075	2.1
55.05506	11.1
56.96550	6.1
57.07058	9.0
57.82521	1.8
61.93355	1.9
64.84690	1.8
67.05502	17.6
68.99777	2.0
69.03410	5.0
69.07063	20.0
71.04993	11.1
71.60117	3.4
72.08152	3.8
72.50167	1.9
79.05483	17.2
81.03450	1.8
81.07054	28.1
83.04992	5.7
83.08610	4.0
85.02885	2.5
85.06541	5.4
91.05487	19.8
93.07047	26.9
95.04974	26.2
95.08616	27.8
97.06514	8.8
98.97575	2.8
105.07021	53.2
107.08582	29.7
109.06490	8.8
109.10143	15.5
110.07166	3.3
112.08234	1.8
116.98593	5.4
117.07005	9.1
119.08575	43.5
121.02939	2.6
121.06506	3.9
121.10149	26.9
123.08038	5.3
123.08976	1.7
123.11713	5.1
125.09596	3.4
127.11175	3.3
128.06172	4.6
129.06970	8.9
130.07738	3.1
131.08565	31.3
133.10121	29.9
134.10938	3.3
134.99657	3.0
135.08054	3.8
135.11687	6.6
135.97629	2.1
137.09604	4.9
141.12701	2.5
142.07776	11.7
143.08566	24.5
144.09303	8.1
145.10124	37.6
147.08040	3.7
147.11673	31.7
149.09625	7.3
149.13245	4.2
153.01855	6.4
155.08559	6.1
156.09315	12.4
156.71942	2.2
157.10123	33.6
158.10876	8.2
159.08150	3.9
159.11682	36.9
161.09621	5.4
161.13251	15.5
163.11133	3.2
165.06978	4.8
167.08545	2.8
169.10085	6.4
170.10844	7.7
171.11694	29.5
172.12453	5.0
172.94228	2.2
173.09647	2.9
173.13268	40.4
175.11182	5.6
175.14806	5.2
177.12566	2.4
179.08488	2.1
181.10091	2.4
183.08066	2.5
183.11673	6.1
184.12439	3.2
185.09669	3.8
185.13263	26.0
186.13963	6.0
187.11267	9.2
187.14764	15.2
189.12668	9.8
190.95403	6.7
191.14211	4.1
193.10249	2.2
194.10901	2.2
195.11638	9.2
196.12532	3.2
197.13315	4.6
198.10281	3.0
199.11214	3.5
199.14790	8.8
201.12727	2.6
201.16476	11.0
203.14314	8.5
208.96425	5.3
209.13239	6.3
211.14787	8.4
213.12730	19.1
213.16356	7.6
222.14178	2.3
227.14343	6.3
227.17845	2.9
229.15909	4.4
231.13863	11.3
232.96359	3.0
241.15979	3.8
241.19476	5.9
251.18077	3.3
269.18988	53.0
269.22336	4.7
287.05478	43.9
287.08435	4.0
287.20023	100.0
287.23627	37.5
288.20514	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	287.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50322	0.8
62.00958	0.9
66.75779	0.8
70.06577	1.5
71.06871	0.9
71.58119	1.3
85.02886	1.6
98.72477	0.8
107.71650	1.0
111.95207	0.8
210.60423	0.9
232.23962	0.9
264.60013	0.9
287.05600	3.9
287.10968	100.0
288.10553	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	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.7
70.61495	0.5
70.71689	2.1
132.08160	0.6
143.01918	0.9
143.39203	0.6
153.01808	1.3
153.93109	0.7
161.02933	2.4
186.09526	0.7
217.81570	0.6
256.05908	0.6
287.05621	3.3
287.10983	100.0
288.11368	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	287.2
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
53.03925	2.6
55.05305	0.9
55.05502	11.6
56.96557	6.2
57.07052	2.6
58.06587	1.5
64.78754	1.1
65.03911	2.0
66.66634	1.0
67.02823	1.2
67.05496	11.7
69.03402	1.1
69.06717	1.2
69.07060	13.5
71.07349	2.2
71.59171	1.0
71.59521	1.1
72.08161	1.5
79.05479	23.8
79.99274	1.1
81.07048	15.0
81.56348	1.1
83.04974	2.9
83.08605	14.9
86.09695	14.2
91.04902	1.1
91.05466	22.8
92.05801	2.6
93.06463	2.3
93.07030	35.4
95.04974	7.1
95.08591	14.1
97.06509	5.1
97.10151	2.2
98.97583	1.4
98.98463	2.8
99.04453	1.2
104.10711	6.9
105.07012	25.8
107.04962	2.3
107.08576	35.1
109.06485	3.6
109.10146	16.9
109.10845	2.2
110.07122	2.5
111.04427	7.0
117.07005	5.9
119.07687	1.6
119.08552	20.5
121.10123	100.0
123.04411	4.6
123.08061	3.4
123.11665	3.3
124.99986	8.1
125.05969	9.4
129.06990	2.5
130.07762	1.3
131.08542	9.8
133.06587	1.4
133.07558	1.4
133.10106	18.0
135.04359	1.1
135.08047	2.1
135.11678	17.0
137.06007	3.1
138.52945	4.8
139.07507	3.3
143.08542	4.0
145.10109	6.7
147.07983	2.6
147.11633	3.7
148.94321	1.4
149.05882	1.5
149.13210	2.5
151.07570	1.5
151.11185	1.6
153.09105	2.7
157.10110	4.5
157.53790	1.2
159.11676	4.4
161.09637	3.3
161.13184	2.0
165.09076	3.1
167.10663	2.2
171.11696	3.0
172.95430	1.4
175.11133	2.3
177.09055	1.4
177.16283	1.2
179.10670	12.3
181.02603	2.8
184.07312	9.7
185.13255	3.8
190.95401	3.5
191.10661	4.3
193.12216	2.7
199.11183	1.7
199.14836	1.2
201.12685	1.6
203.10663	3.4
205.12170	5.8
208.96448	3.3
211.15056	1.3
213.12724	1.3
216.97853	2.6
217.12202	12.7
219.13802	3.5
231.13800	13.7
232.96410	2.8
240.09955	10.8
245.15340	2.8
250.97621	2.6
258.62427	1.9
269.18878	3.0
277.63245	1.5
286.63733	2.6
287.05438	20.1
287.16754	1.7
287.20026	54.6
287.23547	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.45981	0.1
55.05504	0.7
56.96556	0.4
57.03431	0.2
57.07066	0.4
58.61773	0.1
60.67524	0.1
67.01855	1.8
67.05493	1.1
68.92463	0.1
68.99781	1.5
69.03399	0.5
69.07056	1.8
71.04982	0.3
71.29435	0.2
71.29778	0.2
71.54314	0.1
79.05478	1.4
81.03410	0.4
81.07048	2.4
81.30138	0.1
83.04988	0.3
83.08598	0.6
84.08134	0.2
85.02869	0.3
85.06548	0.2
89.03895	0.6
91.05464	1.1
92.62859	0.1
92.76205	0.1
93.07031	3.0
95.04934	0.5
95.08591	1.6
97.06525	0.3
98.97598	0.2
103.05414	0.2
105.03333	0.2
105.07009	2.3
107.04942	0.5
107.08566	1.4
109.06506	0.1
109.10149	1.2
111.00768	0.4
111.04417	0.3
113.11460	0.1
115.05443	0.2
116.98586	0.2
117.03345	0.6
117.07003	0.4
119.08564	1.8
120.08210	0.1
121.02869	1.1
121.06486	0.3
121.10123	1.8
122.09550	0.2
123.11702	0.9
127.03912	0.2
128.06229	0.2
129.01839	0.2
129.06989	0.4
131.08534	0.8
133.02838	0.2
133.10123	1.3
134.99689	0.2
135.04398	3.9
135.08032	0.4
135.11690	0.6
137.02313	1.5
137.09679	0.2
137.13287	0.3
139.11182	0.2
141.06953	0.2
142.07770	0.2
143.08545	0.6
145.06485	0.2
145.10078	1.0
147.04349	0.5
147.08083	0.2
147.11668	1.4
149.09631	0.3
149.13229	0.4
153.01808	10.3
157.06485	0.3
157.10130	1.0
159.11707	1.2
161.02296	1.4
161.09566	0.3
161.13231	0.8
163.11185	0.2
165.01793	0.3
168.08083	0.3
169.10181	0.2
170.09624	0.2
171.02873	1.7
171.04277	0.3
171.11655	0.6
173.13217	0.6
175.11163	0.3
175.14822	0.5
177.00661	0.2
179.03381	0.5
181.08810	0.4
183.09151	0.6
183.10533	0.3
184.09871	0.3
185.05898	0.4
185.13269	0.4
187.14809	0.6
189.05585	0.2
189.16389	0.2
190.95413	0.4
193.15903	0.2
196.11153	0.3
197.10722	0.5
198.11470	1.3
199.09972	0.5
199.12202	0.2
199.14705	0.4
201.16345	0.5
208.25502	0.2
209.08505	0.2
211.08571	1.4
212.09399	0.7
212.12901	0.2
213.05388	1.0
213.10197	1.3
213.13907	0.9
213.16174	0.7
214.12236	2.4
215.18022	0.2
217.15840	0.2
223.12224	0.3
224.10648	0.3
225.10184	1.3
226.10922	3.5
226.12907	0.2
227.11748	7.0
227.17880	0.4
228.12415	0.7
229.09723	0.4
229.19534	0.2
231.06482	0.5
231.17603	0.2
241.04973	1.6
241.09685	15.4
241.13300	3.5
242.05348	0.2
242.14134	0.6
243.14835	1.3
250.97668	0.2
251.11572	0.2
254.10429	0.2
256.12057	0.3
258.05209	0.3
259.05945	0.4
261.84579	0.2
263.05408	0.2
269.04913	0.7
269.12805	31.0
269.22440	1.1
270.13071	0.3
271.08081	0.2
271.10776	2.0
272.11526	2.0
285.12204	0.2
287.05453	100.0
287.13846	30.8
287.23569	4.4
288.05783	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
56.96550	0.1
63.93882	0.1
65.03921	0.4
67.01839	0.4
68.99779	2.1
69.03414	0.2
69.66132	0.9
71.01338	0.1
79.05480	0.8
81.03402	0.3
81.07042	0.1
91.05426	0.3
95.04942	0.5
97.02868	0.2
103.05444	0.2
105.03374	1.0
105.06995	0.2
107.04935	0.9
109.02837	0.6
111.00784	1.7
111.04427	0.6
115.05451	0.3
117.06988	0.2
118.99041	0.1
119.04862	0.2
121.02849	7.2
121.06532	0.1
127.03830	0.2
128.06155	0.1
129.06960	0.5
131.04956	0.2
133.02818	1.0
133.06442	0.2
135.04401	0.4
135.07993	0.1
137.02313	2.6
137.05975	0.2
141.06932	0.5
145.06476	0.7
147.04405	1.5
149.05957	0.1
151.07408	0.2
153.01808	10.6
154.02129	0.2
157.06439	1.3
161.02301	0.2
161.05942	0.5
163.03831	0.2
165.01813	3.6
167.08533	0.4
169.01018	0.1
171.02937	0.2
171.04300	0.8
175.03877	0.2
183.02861	2.0
185.05922	1.2
189.05397	0.3
195.07993	0.2
197.05925	0.4
201.62074	0.2
203.03468	0.2
203.06978	0.5
209.30568	0.1
213.05432	3.4
216.04240	0.1
227.10646	0.4
229.04874	0.4
231.06526	1.4
241.04909	1.7
242.05716	0.2
255.10100	0.3
258.05219	2.4
259.05972	0.9
269.04419	0.5
286.04520	0.1
287.05450	100.0
288.05780	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.94102	0.1
53.03938	0.3
55.01854	0.1
61.56609	0.1
65.03924	0.4
66.10143	0.1
67.01841	0.4
68.99432	0.2
68.99781	2.2
69.03404	0.2
69.58919	0.4
69.59341	0.3
71.01353	0.1
79.05479	0.6
81.03407	0.3
83.01292	0.1
84.50281	0.1
91.05445	0.2
93.03390	0.1
95.04939	0.4
97.02865	0.2
103.05434	0.2
105.03388	1.0
105.07038	0.1
107.04941	1.2
109.02871	0.7
111.00787	1.4
111.04425	0.3
115.05440	0.1
117.06962	0.1
119.04887	0.2
121.02850	6.5
121.03893	0.3
121.06424	0.1
122.03116	0.1
127.03887	0.2
128.06264	0.2
129.06982	0.4
133.02831	0.9
133.06502	0.1
135.04379	0.3
137.02322	2.1
141.06966	0.3
143.04903	0.1
145.06444	0.6
146.56827	0.1
147.04401	1.3
151.03780	0.1
153.01807	10.7
154.02136	0.1
157.06448	1.3
161.02275	0.1
161.05940	0.5
163.03848	0.1
165.01811	3.5
166.02475	0.1
169.06476	0.2
171.03006	0.1
171.04364	0.6
173.06001	0.1
175.03888	0.1
175.07426	0.1
183.02893	1.8
183.04478	0.2
185.05930	0.9
189.05458	0.3
191.03424	0.1
196.38313	0.1
197.06007	0.4
203.03412	0.1
203.07030	0.3
213.03401	0.2
213.05432	3.0
216.04230	0.1
217.04939	0.2
223.03862	0.1
229.04962	0.4
231.06497	1.2
241.04890	1.5
242.05705	0.1
243.06531	0.2
258.05200	2.2
259.05960	0.7
269.04324	0.4
287.05450	100.0
288.05798	2.7
288.08215	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
65.03928	0.6
66.34595	0.2
68.99788	2.6
69.03391	0.4
69.33771	0.3
70.44923	1.0
74.89760	0.3
79.05468	1.0
81.03407	0.5
81.74112	0.3
91.05476	0.7
95.04945	0.3
100.27668	0.3
101.81275	0.3
103.05444	0.4
103.40470	0.3
105.03374	1.1
107.04939	1.2
109.02858	0.9
109.06583	0.3
111.00807	1.8
111.04429	0.3
115.05469	0.4
116.98595	0.4
121.02860	7.6
121.06487	0.4
129.07033	0.7
131.04988	0.5
133.02831	1.0
135.08076	0.4
137.02342	1.8
137.05983	1.4
141.07004	0.3
145.06439	0.9
147.04407	1.7
149.05920	0.6
151.07486	0.7
153.01819	11.7
157.06528	1.5
161.05930	0.7
163.07541	0.9
165.01825	2.9
165.07010	0.4
167.08575	1.3
171.04417	0.6
183.02916	1.5
184.23752	0.3
185.05949	1.3
188.07101	0.4
195.08066	2.1
197.05966	0.8
213.05460	3.7
220.49777	0.3
223.07433	0.7
227.10667	1.8
229.04970	0.6
230.05629	0.3
231.06480	1.3
241.04893	2.0
255.10226	1.9
258.05240	2.3
259.05914	0.7
269.04312	0.4
287.05472	100.0
288.05756	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01853	0.2
62.71508	0.1
65.03927	0.5
67.01849	0.4
68.99783	2.8
69.03423	0.5
70.16383	0.7
79.05471	0.5
81.03396	0.4
91.05456	0.2
95.04949	0.5
97.78732	0.1
103.05409	0.2
105.03389	0.9
107.04950	1.4
109.02866	0.9
111.00803	1.2
111.04438	0.6
111.87139	0.2
115.05410	0.2
119.04957	0.2
121.02850	7.0
121.03798	0.3
127.03828	0.2
128.06184	0.3
129.06981	0.4
133.02849	0.7
133.06459	0.2
135.04448	0.3
136.07574	1.1
137.02312	2.1
138.52925	0.2
141.06952	0.3
145.06439	0.8
147.04395	1.3
153.01808	11.7
157.06477	1.3
161.05956	0.4
164.07065	0.8
165.01822	3.6
167.08504	0.4
171.04424	0.7
173.05966	0.2
183.02864	2.0
185.05943	1.0
189.05376	0.3
197.06032	0.5
203.03331	0.3
203.06993	0.4
212.04648	0.2
213.05441	3.3
227.10506	0.2
229.05016	0.3
231.06487	1.2
241.04987	1.5
242.05748	0.2
249.27637	0.2
258.05194	2.3
259.05984	1.0
269.04510	0.5
287.05463	100.0
288.05823	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2375
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
55.05503	3.6
55.59889	1.3
56.96553	4.0
57.07074	36.3
67.05511	9.4
69.07079	7.3
71.08633	24.2
76.04002	100.0
81.07063	10.7
83.08608	2.3
85.10165	10.7
93.07027	1.6
95.08606	18.7
95.91200	1.4
97.10179	3.5
99.63969	1.5
102.10889	1.3
109.10152	6.3
111.11710	2.9
113.26920	1.4
123.11667	2.6
130.84048	1.5
137.13342	2.4
141.57845	1.4
153.01862	2.1
181.03490	2.4
199.04500	6.6
200.55986	1.4
211.20558	7.1
215.02242	1.7
229.45383	2.1
241.00266	3.6
278.12280	2.2
286.30942	9.2
286.33759	2.2
287.05466	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15345	0.1
50.81802	0.1
53.03931	0.2
55.01860	0.2
56.96556	0.1
65.03927	0.3
67.01855	0.5
68.99780	2.5
69.03427	0.3
69.55134	1.1
73.02890	0.1
79.05486	0.9
81.03402	0.3
83.01346	0.1
91.05479	0.4
95.04960	0.5
97.02910	0.3
98.97553	0.3
103.05446	0.4
105.03392	1.0
105.07036	0.2
107.04951	1.5
109.02864	1.0
111.00778	1.5
111.04423	0.5
114.79749	0.1
115.05468	0.3
116.98530	0.2
117.06985	0.3
119.04919	0.2
121.02855	7.5
121.03826	0.3
121.06460	0.3
127.03905	0.3
128.06197	0.2
129.06987	0.5
133.02832	1.0
134.03595	0.2
135.04408	0.6
135.07959	0.2
137.02316	2.7
137.05951	0.6
139.05354	0.1
141.06941	0.4
145.06467	0.7
146.99629	0.2
147.04396	1.7
149.06024	0.2
151.03955	0.1
151.07494	0.2
152.06100	0.1
153.01811	12.0
157.06458	1.6
161.05937	0.7
163.07544	0.3
165.01814	3.8
165.06973	0.2
167.08528	0.8
169.06508	0.3
171.03038	0.2
171.04369	0.8
175.03944	0.1
175.07574	0.3
183.02887	1.8
184.05141	0.2
185.05940	1.5
189.05412	0.4
195.08121	0.7
197.05977	0.5
199.03899	0.2
201.05481	0.2
203.03433	0.3
203.07024	0.3
213.05447	3.5
216.04086	0.1
217.04831	0.2
223.07564	0.2
227.10628	0.9
229.04935	0.5
231.06468	1.4
231.43500	0.2
241.04956	1.7
242.60205	0.1
243.06438	0.2
245.04306	0.2
255.10202	0.7
258.02496	0.2
258.05206	2.9
259.06003	1.1
269.04401	0.4
287.05460	100.0
288.05786	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20293	1.5
55.05503	11.5
57.03422	3.7
57.07066	3.7
60.08155	2.1
60.79554	1.5
65.03931	1.6
67.05170	3.0
67.05499	32.9
69.07064	12.8
69.65694	13.2
71.04966	1.8
79.05499	18.8
80.26951	1.7
81.03408	2.2
81.07048	60.4
83.08607	13.1
91.05463	18.9
93.07030	31.9
93.33407	2.0
95.04942	4.2
95.08599	44.1
97.10151	2.0
98.41776	1.8
99.66651	1.8
105.07014	25.0
107.08587	25.7
109.10149	33.2
116.82062	1.6
117.07003	2.8
119.08564	24.4
121.10133	30.3
123.11690	22.7
129.07014	2.7
131.08566	3.1
133.10120	23.7
135.11665	27.4
137.13211	2.8
145.10081	7.2
147.11658	24.0
149.13248	19.9
155.01892	4.8
157.10075	3.0
159.11694	7.4
161.13255	26.5
163.14818	10.5
164.93071	2.0
171.01396	17.7
172.95215	3.6
173.13203	4.2
175.14799	24.7
177.16362	4.2
184.62006	1.7
187.14821	3.1
189.16367	13.1
190.96198	2.1
197.70819	1.7
201.16362	10.5
203.17944	33.0
208.82387	1.8
215.17914	9.0
217.19621	3.9
229.19513	10.4
237.09750	4.3
239.72867	1.6
246.98987	3.6
247.42822	1.7
285.16876	6.2
285.25735	100.0
285.33426	6.6
286.26218	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	285.221
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
50.48956	1.4
55.01863	1.8
55.05508	22.0
55.15569	1.1
56.96558	24.0
57.03420	4.3
57.07051	5.0
60.06460	1.5
61.02889	1.4
65.03902	1.4
67.05495	18.7
67.98488	1.4
68.75824	1.3
69.03414	8.0
69.06717	2.7
69.07062	34.4
71.04967	3.4
71.08630	2.4
71.59706	2.6
71.60090	1.3
72.08110	1.5
79.05483	15.2
81.03402	6.9
81.06577	2.2
81.07047	43.7
83.04961	4.6
83.08604	8.4
84.08115	4.8
85.02901	8.8
85.06544	2.0
87.04425	2.0
89.03856	1.4
89.66882	1.4
91.05472	24.3
93.07035	27.7
95.04989	6.7
95.08595	30.0
95.59553	1.6
97.02895	3.2
97.06506	5.9
98.97557	14.1
98.98438	2.0
105.07015	53.7
107.04943	1.5
107.08577	24.2
109.06517	7.0
109.10155	22.3
110.97480	1.5
111.08062	19.5
112.11201	4.0
115.03854	1.8
115.05434	2.1
116.98639	10.7
117.06988	6.0
119.08566	47.1
119.77734	1.4
121.06477	3.4
121.09298	2.3
121.10137	24.1
122.10481	1.6
123.08042	12.0
123.11710	10.0
125.09605	2.8
128.98531	3.4
129.06972	3.4
130.07782	1.6
131.08574	12.9
133.06578	1.7
133.10117	76.7
134.10913	2.5
134.99609	10.7
135.08002	4.5
135.11690	9.4
137.09586	12.0
137.13232	3.2
138.10388	9.2
139.11180	11.1
142.07724	2.2
143.00168	2.6
143.08539	4.8
144.09302	1.8
145.02792	2.1
145.10097	17.3
146.99638	4.8
147.11670	29.7
149.09612	5.1
149.13257	4.2
150.08003	4.1
151.05115	2.7
151.11174	2.2
155.08533	1.8
156.09366	2.3
157.10100	8.0
158.11020	1.5
158.97517	1.4
158.99670	1.9
159.08316	2.7
159.11668	17.7
160.05659	1.7
161.01170	5.0
161.09604	9.2
161.13274	6.9
163.06898	2.8
163.14798	4.2
165.12741	3.9
167.10782	2.5
169.10101	5.0
171.11691	7.8
173.04759	1.9
173.09624	4.8
173.13237	11.5
175.02608	1.8
175.11177	6.5
175.14792	6.2
176.11467	2.8
177.00677	5.6
177.05423	3.7
177.12729	1.7
179.02325	2.0
183.11797	6.2
185.11807	2.1
185.13269	3.0
187.11150	2.6
187.14841	7.7
189.00662	2.9
189.12743	8.9
189.16415	2.2
191.11908	3.4
191.14249	8.7
192.12752	5.5
193.12245	2.8
193.15846	3.8
197.13210	4.0
199.14774	4.1
201.00613	2.9
201.04239	1.8
201.12782	10.5
201.16331	6.4
203.05989	1.9
205.11626	10.4
210.06569	1.8
211.13069	2.2
211.14885	8.9
213.11266	2.1
213.16411	2.6
213.61797	1.5
214.12166	27.8
215.14319	6.5
215.17761	1.5
216.15099	4.2
217.15877	6.0
219.01758	4.0
223.12727	4.7
225.16270	3.1
225.62973	6.9
226.12201	1.9
227.17935	4.0
229.15848	12.3
231.01735	1.6
235.12677	7.6
237.02815	3.2
239.17911	1.7
241.19502	1.8
243.17154	2.0
246.63576	2.0
249.02747	4.2
253.08524	3.3
257.22607	3.5
263.13968	4.5
264.14871	10.4
267.03860	2.1
267.21017	9.1
273.15332	2.2
284.66031	2.3
285.13727	11.0
285.22098	100.0
285.63788	2.8
286.11078	3.6
286.14276	57.7
286.22382	2.2
291.03879	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01875	1.3
55.05507	7.1
57.03426	4.5
62.83945	1.1
67.05489	11.1
69.03429	4.0
69.07065	2.3
71.04990	1.9
71.59222	1.1
71.94184	1.0
79.05484	11.4
81.03408	100.0
81.07045	9.7
83.04964	5.3
83.08605	18.7
84.08119	1.8
85.02888	4.9
85.06555	1.1
87.02308	1.1
91.05468	15.7
93.07049	6.9
93.32977	1.0
95.04961	26.7
95.08607	4.2
97.02903	3.2
97.06534	2.0
97.10133	1.4
105.07020	11.4
107.04914	6.1
107.08579	2.9
109.06493	2.9
109.10145	1.5
111.04441	2.1
111.08051	10.4
112.11251	2.1
115.05463	1.0
119.04918	1.7
119.08549	10.7
121.06479	2.5
121.10125	3.6
123.08080	1.2
129.06955	8.3
131.08539	8.2
133.06509	3.5
133.10138	3.5
136.17381	1.1
137.05959	1.4
137.09647	1.1
142.07805	1.6
145.02814	1.9
145.10057	2.5
146.03543	1.5
147.04416	1.1
147.08032	3.1
147.11629	5.9
149.09616	3.9
153.01778	11.2
154.07813	1.1
157.10092	9.7
159.11681	1.3
161.05936	3.7
165.06967	6.3
165.12778	2.2
175.11153	13.0
177.05437	1.5
181.06494	2.9
182.07198	3.0
193.06416	5.6
193.12221	39.2
195.07979	1.2
199.07500	1.3
205.04991	1.7
207.02913	1.3
210.06689	5.8
211.07716	1.1
211.13292	6.9
211.14958	1.1
221.05933	7.4
224.08298	2.6
225.09096	7.9
227.06917	1.9
229.14389	1.6
235.07436	1.0
238.06348	1.6
239.07091	1.2
241.08557	1.3
245.79329	1.0
252.07709	1.7
253.08519	8.6
254.09267	1.1
267.05060	1.1
267.10141	3.7
267.15829	8.6
270.08698	3.0
285.11157	26.3
285.16745	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49284	4.4
54.73935	4.5
55.05504	30.2
57.03431	64.1
67.05168	6.1
67.05504	67.1
67.13707	5.2
69.03423	8.3
69.07053	19.7
69.29282	32.8
69.29707	17.1
71.04979	17.1
79.05481	55.2
81.03409	96.6
81.07040	69.5
83.04989	26.6
83.08615	42.9
85.02422	6.6
85.02897	93.4
85.06548	5.5
88.12927	4.4
91.05466	51.3
93.07043	40.3
95.04968	49.3
95.08596	34.6
97.06516	13.1
97.10166	6.9
98.21468	8.5
98.76768	4.1
99.08030	4.9
105.07029	47.4
107.04951	9.7
107.08600	24.2
109.06488	7.0
109.10135	6.9
111.04469	4.9
111.08063	20.7
113.06012	8.4
119.08569	48.5
120.86484	6.1
121.10127	24.6
123.08011	7.5
123.11725	7.1
127.67656	4.1
129.06990	13.9
131.08566	19.6
133.10106	25.1
135.11690	6.8
145.10141	7.1
147.08014	5.0
147.11681	37.6
149.09578	7.2
149.13310	5.7
157.06874	4.9
157.10098	30.4
165.12698	11.1
175.11121	30.8
193.12231	100.0
211.13286	68.8
285.16870	69.1
285.21948	7.6
285.30017	6.8
285.33255	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	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03925	3.9
55.01874	3.2
55.05512	13.7
57.03432	22.3
64.80717	1.5
67.05499	23.2
69.03413	3.0
69.07047	3.7
71.04972	6.5
71.55206	2.2
75.98919	1.4
79.05482	20.1
81.03411	100.0
81.07043	26.4
83.04977	10.3
83.08615	27.8
84.08163	2.0
85.02894	37.1
85.06516	2.3
91.05476	27.0
93.07046	15.6
95.04963	32.1
95.08607	8.4
97.02872	5.1
97.06511	2.4
97.10177	2.2
98.12569	1.3
105.07022	19.2
107.04952	4.0
107.08577	7.5
109.06503	4.2
109.10141	3.6
111.04420	3.0
111.08066	13.1
113.06022	4.1
115.05495	1.9
119.08561	16.8
121.10141	8.0
123.08067	2.3
123.11672	3.1
124.55893	1.4
129.07014	8.0
131.08580	10.5
133.06474	3.9
133.10124	8.4
137.09642	2.5
142.07784	4.2
145.10187	1.5
147.08031	2.7
147.11670	20.2
149.09567	7.4
153.01820	13.2
157.10126	14.9
165.06958	1.5
165.12691	4.9
175.11145	16.9
193.12221	62.0
211.13274	32.2
229.14355	2.9
267.15836	5.7
285.11328	3.8
285.16949	25.3
287.05609	2.2
305.53360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01874	3.2
55.05512	13.7
57.03432	22.3
64.80717	1.5
67.05499	23.2
69.03413	3.0
69.07047	3.7
71.04972	6.5
71.55206	2.2
75.98919	1.4
79.05482	20.1
81.03411	100.0
81.07043	26.4
83.04977	10.3
83.08615	27.8
84.08163	2.0
85.02894	37.1
85.06516	2.3
91.05476	27.0
93.07046	15.6
95.04963	32.1
95.08607	8.4
97.02872	5.1
97.06511	2.4
97.10177	2.2
98.12569	1.3
105.07022	19.2
107.04952	4.0
107.08577	7.5
109.06503	4.2
109.10141	3.6
111.04420	3.0
111.08066	13.1
113.06022	4.1
115.05495	1.9
119.08561	16.8
121.10141	8.0
123.08067	2.3
123.11672	3.1
124.55893	1.4
129.07014	8.0
131.08580	10.5
133.06474	3.9
133.10124	8.4
137.09642	2.5
142.07784	4.2
145.10187	1.5
147.08031	2.7
147.11670	20.2
149.09567	7.4
153.01820	13.2
157.10126	14.9
165.06958	1.5
165.12691	4.9
175.11145	16.9
193.12221	62.0
211.13274	32.2
229.14355	2.9
267.15836	5.7
285.11328	3.8
285.16949	25.3
287.05609	2.2
305.53360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0985
Annotation	Crotonoside
Peak:m/z	Relative Intensity
54.91523	0.2
55.27660	0.3
57.03417	0.5
65.25475	0.3
70.34864	1.2
73.02908	0.4
80.23246	0.3
80.33893	0.3
85.02882	0.5
97.02896	0.4
109.05138	0.5
110.03529	2.4
128.04547	1.6
135.03008	3.2
136.06117	0.5
152.05653	100.0
153.01918	0.4
153.02856	0.7
153.04059	10.3
153.05956	0.6
196.69743	0.3
241.29189	0.4
247.98497	0.4
266.15356	0.3
284.29388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01857	1.7
55.05492	1.6
56.96561	0.6
57.03424	1.6
67.05486	2.8
69.03069	0.9
69.03419	12.3
69.07071	0.9
70.83665	1.0
70.84019	1.3
70.93919	0.6
71.04959	0.8
79.01840	3.5
79.05485	2.9
81.03407	14.6
81.07037	2.3
83.04959	1.9
83.08600	3.5
85.02885	3.4
87.51426	0.5
88.69547	0.5
91.05459	4.0
92.68362	0.5
93.07020	2.7
95.04941	4.8
95.08594	1.6
97.02875	19.6
97.06458	0.8
103.04775	0.6
105.07016	2.5
107.01292	1.3
107.04930	1.0
107.08554	1.4
109.06484	0.7
111.08050	1.2
111.75790	0.7
112.11203	1.3
115.03909	5.6
119.04920	1.9
119.08587	2.8
121.10167	1.0
125.02342	3.8
129.07047	1.0
129.13879	0.8
131.04915	2.9
131.08537	1.5
133.02837	0.8
133.10109	1.3
135.08063	0.7
143.03365	7.8
145.02864	0.7
146.06567	0.7
146.99637	0.6
147.04395	2.3
147.07925	0.7
147.11638	1.5
151.03891	1.1
153.01807	100.0
154.02153	1.7
157.10103	2.2
159.04367	3.1
163.03920	1.4
165.05444	1.7
165.12743	0.8
175.03900	1.8
175.11137	2.3
177.05463	3.8
179.03349	5.1
182.07271	0.8
191.03328	0.9
193.04953	3.5
193.06487	1.1
193.12170	6.8
201.59789	0.6
203.03453	0.9
205.04916	9.1
207.02875	12.1
209.04367	0.9
211.13185	1.3
216.34743	0.6
221.04292	4.5
225.09026	1.1
231.02832	2.7
237.03981	1.2
249.03893	4.1
253.08554	1.0
267.04938	7.8
267.09921	1.0
267.15924	1.1
285.11099	3.1
285.16907	1.9
286.40579	0.8
288.20218	0.7
303.04938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2629
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
51.05566	0.9
53.03948	2.6
55.01853	4.8
55.05506	69.4
56.96559	6.5
57.03425	4.9
57.07071	17.6
58.15248	1.1
59.04977	2.1
65.03909	1.6
67.05499	41.6
67.05865	2.2
69.03430	5.1
69.07062	81.1
69.46946	5.0
69.47366	2.5
70.07391	1.5
71.04996	10.0
71.08620	6.9
73.06554	1.5
79.05482	21.3
81.03421	1.8
81.07050	94.2
82.07360	1.4
83.04964	4.0
83.08611	47.7
83.09111	2.3
84.08069	1.1
85.06528	8.6
85.10155	2.5
91.05476	15.6
93.07034	39.6
95.04956	4.8
95.08597	100.0
96.08961	1.4
97.06535	8.9
97.09532	2.6
97.10158	44.7
98.97575	1.8
99.08078	3.9
105.07030	9.5
107.04967	2.1
107.07857	1.7
107.08580	30.9
109.06499	1.4
109.10143	60.6
110.10542	1.1
111.04416	1.4
111.08073	8.5
111.11718	9.4
112.11152	1.2
113.09621	3.5
116.98605	3.4
117.07014	2.9
119.04892	1.8
119.08566	4.9
121.06486	3.2
121.10128	29.2
123.08082	1.1
123.11699	35.6
125.09621	4.1
125.13246	2.9
128.06204	1.3
128.98590	1.4
131.08493	1.9
133.10120	9.8
134.99623	3.3
135.08055	3.4
135.11676	25.7
137.13242	13.6
139.11153	4.1
141.07059	1.1
143.08537	2.9
145.10143	6.4
146.99670	1.8
147.08046	2.2
147.11725	1.5
149.05971	5.3
149.13254	19.2
151.14799	6.5
153.12712	8.4
157.10150	1.6
158.66727	1.1
161.01251	1.8
161.09605	4.2
163.11153	8.5
163.14819	8.2
165.16403	5.0
167.14278	2.3
173.09592	2.2
177.16373	6.6
179.08501	1.1
179.18027	1.3
181.10103	1.5
181.12250	1.4
185.09676	1.2
187.11125	1.2
191.17960	8.5
199.11252	1.2
205.19499	1.7
209.18991	7.4
213.07962	1.6
227.12724	13.6
231.09059	2.2
241.15697	1.4
247.24219	9.6
257.10611	8.4
265.25244	18.9
269.10571	11.2
275.11536	6.4
283.06320	1.7
283.16879	5.2
283.20172	2.2
283.26376	13.8
284.11136	1.5
287.11624	9.6
301.13217	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01858	4.9
55.05502	11.9
56.96546	2.1
57.03431	11.1
57.07061	1.9
64.17074	0.7
65.03927	1.6
66.91332	0.7
67.05497	18.4
69.03406	2.2
69.07059	9.2
70.11190	3.0
70.11596	1.2
71.04998	4.1
71.05315	0.7
73.02897	1.4
76.42078	0.9
79.05485	29.2
81.03398	3.0
81.07043	23.0
83.04974	6.0
83.08612	10.5
84.08105	1.5
91.05459	10.0
93.07030	44.8
95.04961	9.4
95.08592	43.5
95.09229	1.0
96.08955	0.8
96.41561	0.8
97.02896	4.9
97.06512	4.2
97.10155	1.7
98.97575	1.3
99.04423	4.3
103.05469	1.2
105.07021	12.0
107.04946	11.6
107.08583	31.2
109.06522	3.0
109.10153	3.1
110.72442	0.7
111.04443	1.9
113.05947	1.2
114.59131	0.8
117.07002	10.1
119.08559	11.1
121.02867	0.9
121.06509	5.8
121.10126	15.6
125.05975	3.5
129.07076	0.8
130.07785	3.0
131.08537	0.9
133.10086	3.8
134.99631	0.8
135.08051	2.8
135.11673	53.3
136.12053	1.0
139.07565	3.2
143.08559	1.7
145.10106	30.6
147.08142	1.0
153.01709	1.0
153.12744	1.8
155.08485	1.2
163.11160	70.8
173.09612	1.9
181.12209	15.7
187.14777	0.9
190.09512	0.9
209.11707	1.5
227.12756	100.0
228.13170	1.8
275.13232	1.0
283.06012	1.8
283.10318	1.3
283.15396	20.1
283.20383	1.8
283.24130	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01864	4.4
55.05508	11.8
57.03434	9.5
57.07064	1.6
66.16500	1.0
67.05499	18.4
69.03429	1.7
69.07061	7.3
70.03611	2.6
70.04002	2.6
71.04980	3.1
73.02914	1.9
79.05482	26.6
81.03419	2.7
81.07045	20.1
83.04965	4.0
83.08617	10.4
89.06046	1.5
91.05482	10.1
93.07032	41.0
93.07624	2.1
95.04981	7.7
95.08595	42.7
97.02905	3.7
97.06521	5.4
99.04452	5.7
103.05466	1.3
103.41470	1.0
105.07027	7.9
107.04965	8.3
107.08575	28.7
109.06512	1.9
109.10141	3.4
111.04439	2.4
111.08033	1.8
115.05441	1.2
117.07005	11.4
119.08566	10.4
121.06490	5.9
121.10130	13.9
125.05984	3.4
130.07747	2.0
133.10135	2.8
135.08047	3.7
135.11676	46.2
139.07561	1.3
139.29027	1.0
143.08525	2.1
145.10103	27.9
149.09579	2.0
153.12747	2.5
155.08481	1.5
163.11163	66.7
173.09590	1.4
181.12222	18.7
206.13957	1.3
209.11761	2.1
227.12752	100.0
228.13133	1.8
283.15317	19.2
283.20343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.1
55.01852	5.1
55.05500	13.6
56.96555	1.9
57.03431	12.9
57.07060	1.4
59.05009	1.4
61.22572	1.2
61.51240	1.2
67.05499	22.6
68.40391	1.2
69.03410	4.1
69.03934	1.2
69.07059	9.6
71.04959	4.0
71.58387	1.1
71.58776	1.6
73.02914	1.6
79.05481	35.4
81.03397	4.1
81.07050	25.9
83.04968	4.7
83.08602	10.0
84.08125	2.0
85.06547	1.9
91.05471	10.8
93.07031	44.2
95.04964	11.8
95.08599	44.1
95.09124	0.8
97.02866	5.7
97.06505	4.3
98.97516	1.6
99.04433	4.8
103.05402	1.9
105.07037	10.5
107.04950	12.3
107.08582	33.5
109.06538	2.7
109.10125	3.9
111.04398	1.6
111.08072	2.5
112.11295	1.7
115.05380	1.5
117.06993	10.7
119.08569	11.5
121.06491	7.8
121.10143	14.5
125.05945	3.3
129.06938	2.1
130.07767	3.7
131.08572	2.2
133.10126	3.3
135.07993	2.8
135.11667	54.6
135.12698	2.8
137.05850	1.9
138.06224	1.3
139.07545	3.0
143.08517	1.7
145.09018	2.6
145.10097	32.2
147.04477	1.7
153.12659	1.6
155.08449	1.4
157.05902	1.4
158.77473	1.5
163.11160	77.0
181.12221	17.7
191.10623	1.7
209.11623	1.5
211.57013	1.4
227.12761	100.0
240.14850	1.2
241.84389	1.7
272.32410	1.3
283.06210	2.7
283.09772	4.3
283.15347	20.5
283.20316	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01865	5.2
55.05511	11.9
57.03436	11.9
57.07075	1.3
57.38708	1.0
67.05503	22.5
69.03411	1.8
69.06780	0.9
69.07079	9.3
69.26254	7.5
69.26661	3.2
71.04984	3.9
79.05493	35.6
81.03417	2.5
81.07055	22.8
83.04971	4.6
83.08618	8.8
89.06020	2.2
91.05484	9.7
93.07043	49.8
95.04974	10.6
95.08608	43.0
95.09241	1.7
97.02899	4.5
97.06561	4.9
99.04453	5.7
105.07034	8.9
107.04958	13.6
107.08591	33.5
109.06521	2.8
109.10166	3.7
111.04430	3.2
111.08135	1.0
117.07034	11.9
119.08582	15.1
121.06500	5.0
121.10145	12.5
125.06001	3.3
130.07796	3.3
133.10150	2.2
135.08080	2.7
135.11696	54.0
139.07510	2.5
143.08609	2.0
145.06522	1.8
145.10123	31.8
145.11259	1.8
153.12704	1.8
163.11183	77.7
164.11569	1.3
164.83600	1.0
173.09615	2.5
181.12230	15.7
209.11684	1.8
227.12776	100.0
228.13196	2.7
283.15402	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
53.21268	0.7
55.01862	4.5
55.05501	13.4
57.03429	10.2
57.07050	1.0
65.03917	0.9
67.05494	20.9
69.03415	2.1
69.06710	0.9
69.07056	8.9
71.04996	3.8
73.02898	1.9
79.05480	30.0
81.03400	3.3
81.07044	23.3
83.04972	4.2
83.08607	9.5
85.06546	0.8
89.05999	1.4
91.05465	9.4
93.03370	0.9
93.07029	48.7
95.04948	8.6
95.08591	43.4
97.02858	4.2
97.06514	3.8
97.10165	0.8
98.21510	1.1
99.04446	5.6
103.05477	1.6
105.07017	10.1
107.04269	1.1
107.04939	11.3
107.08578	34.1
109.06525	3.5
109.10135	3.0
111.04415	1.7
111.08025	1.1
113.05985	1.0
115.90411	0.6
117.06186	1.2
117.06981	11.4
119.08547	11.1
121.06486	7.3
121.10124	17.4
125.05966	3.8
129.06992	1.0
130.07750	2.3
131.08554	1.3
133.10114	3.0
135.08034	2.3
135.11671	60.1
136.12015	0.7
139.07523	2.3
139.83923	0.6
143.08505	1.6
145.06435	0.9
145.10100	34.9
153.12712	1.5
154.26904	0.6
155.08525	1.6
163.11153	79.1
164.11528	1.4
173.09584	1.8
181.12204	17.8
185.93791	0.6
208.51352	0.6
209.11688	1.4
227.12746	100.0
228.13072	2.3
229.24261	0.7
283.12354	1.2
283.15353	19.6
283.20120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42323	1.1
53.03935	3.6
55.01871	6.1
55.05503	13.0
56.96555	1.8
57.03429	9.7
57.07060	5.8
65.03943	1.5
67.05497	20.6
69.03426	2.3
69.07059	13.0
71.04980	2.9
71.08620	2.9
76.07262	1.4
79.05054	1.9
79.05485	25.7
81.03423	2.5
81.07052	24.3
83.04965	6.4
83.08612	10.5
89.06001	1.6
91.05473	11.9
93.06459	2.9
93.07034	44.2
95.04958	10.5
95.08594	45.2
97.02878	4.6
97.06541	4.7
97.10163	2.5
99.04485	3.6
103.05517	1.5
105.07028	11.1
107.04935	12.1
107.08581	32.7
109.06502	2.5
109.10143	3.1
111.04427	3.5
111.08117	2.0
115.05424	1.6
117.06997	12.6
119.08569	12.6
121.06520	5.2
121.10142	14.0
125.05990	4.2
130.07751	1.8
131.08583	2.6
133.10138	5.3
135.08058	2.8
135.11687	56.0
145.06444	1.7
145.10101	33.1
149.09506	1.6
154.94197	2.0
163.11171	82.5
172.95265	8.0
173.09563	1.7
181.12207	16.4
190.96368	7.7
191.10664	2.1
209.11719	3.1
218.98288	1.5
227.12756	100.0
228.13222	2.9
228.97807	3.4
229.38292	1.5
246.98936	5.8
249.53688	1.3
283.15256	24.8
283.20334	2.4
297.15359	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51556	0.7
53.03929	1.9
55.01855	1.3
55.05505	20.1
56.96540	2.1
57.03421	1.7
57.07062	4.5
59.04993	5.9
65.03931	0.9
67.05495	7.3
68.99786	0.7
69.03405	3.4
69.07059	19.5
70.78259	1.7
70.78589	0.8
71.04985	1.8
71.08615	1.8
79.05479	4.6
81.03403	1.4
81.07048	15.2
83.04975	1.3
83.08605	10.4
84.08154	0.9
85.02870	1.5
85.06519	1.7
85.10117	0.9
91.05472	9.4
93.07033	15.8
95.04962	5.5
95.08590	13.1
97.02859	0.8
97.06509	2.9
97.10157	14.8
98.97564	1.7
101.02377	0.8
105.04497	0.9
105.06998	2.7
107.04921	1.7
107.08593	6.1
109.06497	9.6
109.10153	7.3
111.04430	0.9
111.08059	3.0
111.11749	0.9
113.09603	0.9
117.06982	1.4
119.04854	1.0
119.08539	1.9
121.06533	0.8
121.10107	6.3
123.04408	11.8
123.08059	3.0
123.11666	4.4
125.09597	2.4
127.03903	1.5
131.08569	1.1
132.82390	0.9
133.10112	2.0
134.99637	1.3
135.08035	1.0
135.11679	4.0
137.05962	61.2
137.13252	2.9
139.11195	0.9
144.21916	0.7
145.06453	1.7
145.10110	1.7
146.99625	0.7
147.04399	1.5
149.06003	1.1
149.13248	4.1
151.03883	100.0
151.14743	0.9
152.04280	0.7
153.12718	2.5
159.11763	0.9
163.07512	1.5
163.11212	0.8
163.14815	1.1
165.05450	3.2
177.05449	2.1
177.16347	2.8
181.08636	0.7
191.06995	2.5
191.17917	1.9
193.04935	7.6
193.19431	0.8
197.08066	77.1
201.05449	2.0
205.08624	1.7
205.64510	0.7
209.18985	3.3
211.06194	0.7
217.04100	0.8
219.06511	2.5
225.07558	28.0
233.08089	0.9
247.24164	3.3
251.09103	6.8
257.10556	1.3
258.94980	0.7
265.25198	11.7
269.10419	1.2
275.13385	0.8
283.06293	2.6
283.20456	1.8
283.23477	1.1
283.26572	3.5
287.11554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01853	3.9
55.05507	11.8
57.03235	0.9
57.03429	10.8
57.07055	3.6
59.10643	1.2
65.03941	1.1
67.05498	19.0
67.23785	1.0
67.60783	1.0
68.66721	1.0
69.03431	2.2
69.07059	9.1
69.73340	7.5
71.04970	3.4
71.08633	1.3
73.02915	2.6
79.05482	27.6
81.03398	4.2
81.07046	22.3
83.04966	4.9
83.08611	11.3
91.05473	10.0
93.07033	44.7
95.04943	9.8
95.08595	40.9
97.02868	4.6
97.06513	4.4
98.97565	1.3
99.04456	3.6
103.05447	1.1
105.07005	9.7
107.04945	10.2
107.08582	31.1
109.06509	2.4
109.10164	3.3
111.04410	1.8
111.08044	1.9
113.06028	1.3
114.96156	1.4
116.98605	1.6
117.07007	10.2
119.08566	13.8
121.06477	7.0
121.10121	14.7
123.11650	2.0
125.05956	3.8
130.07768	2.0
131.08583	2.3
133.10100	4.0
134.99657	1.2
135.11679	53.8
145.06384	2.1
145.10101	29.6
145.11243	1.6
150.09966	1.4
153.12662	1.2
154.94118	1.5
163.11163	73.3
172.95229	4.3
173.09622	2.0
180.94254	1.2
181.12236	16.5
190.96179	3.9
209.11745	2.9
227.12752	100.0
228.13026	2.5
228.97844	2.5
246.98947	3.1
251.45784	1.2
258.74503	1.1
278.01239	1.2
283.15347	20.9
283.20432	2.8
283.24045	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	283.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05503	2.7
56.96552	2.3
57.03417	1.2
57.07057	2.4
62.46579	0.6
67.05504	2.8
69.03410	1.3
69.07064	5.0
70.11759	1.3
70.12166	2.4
79.05476	3.5
81.03419	0.8
81.06622	1.0
81.07056	8.1
83.04976	1.1
83.08611	2.7
91.05479	1.6
93.07051	3.8
95.04959	1.2
95.08610	7.1
97.02923	0.9
97.10152	2.2
98.97558	1.6
105.07016	2.7
107.08581	3.4
109.10150	3.4
110.55357	0.7
111.08088	0.9
113.06072	0.8
116.98598	2.2
119.08578	1.4
121.10126	3.0
123.11709	1.4
123.93538	0.8
129.31085	0.7
133.10069	1.2
134.99620	0.8
135.11699	3.2
137.13208	0.8
143.08534	0.7
145.10138	1.3
145.33554	0.7
149.13145	1.0
153.01746	1.0
163.11186	3.0
172.08861	0.7
181.12231	1.1
187.08038	1.2
195.08116	0.8
199.14629	0.9
227.12801	3.4
233.11617	3.5
236.21738	0.7
236.50429	0.9
240.07861	0.9
251.11472	1.1
265.14255	0.9
268.07428	1.0
269.12311	10.8
273.65469	3.3
282.66077	4.4
283.09842	4.1
283.15164	100.0
283.20468	4.6
284.15488	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	281.2473
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.05510	21.9
56.96555	8.8
57.03426	2.0
57.07068	13.7
64.84371	2.3
67.05501	27.6
69.07062	44.2
69.07640	2.5
71.04987	6.5
71.08624	5.9
71.59119	2.0
72.41219	2.1
79.05481	12.4
81.07050	41.9
83.08610	27.4
85.06543	6.3
91.05471	8.1
93.07026	28.5
95.04988	2.8
95.08598	100.0
97.06535	3.8
97.10165	9.2
98.97581	10.4
99.08122	2.3
105.07001	14.0
107.08576	25.2
109.10148	35.3
111.11707	4.1
113.09640	33.1
116.98579	12.3
119.08573	13.8
121.10126	14.4
123.08066	5.4
123.11681	11.4
125.09631	5.3
133.10072	13.0
134.99664	10.8
135.11668	15.8
137.09621	13.2
137.13257	8.4
139.11189	3.2
145.10220	3.1
147.11707	8.7
149.13257	16.3
149.14299	3.0
151.11168	7.3
153.00748	3.0
153.01848	3.0
161.13254	8.8
163.14790	5.0
167.14340	4.7
175.14827	7.5
189.16376	9.1
205.19543	6.5
210.92159	8.4
217.72546	2.6
234.92259	6.8
245.22641	27.4
252.93323	4.4
263.23724	10.1
277.00797	14.1
281.24680	17.9
300.02432	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	282.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01859	3.4
55.93515	3.1
56.96540	3.2
57.03415	5.8
57.07055	2.3
61.02927	12.3
69.03423	21.4
69.79402	11.6
73.02898	7.1
81.03389	7.6
84.59085	2.0
85.02895	100.0
85.06522	18.3
87.04482	2.7
91.03946	9.9
97.02879	22.5
98.20810	2.7
98.97562	2.4
99.04426	6.7
109.02854	9.9
109.17415	2.1
116.98587	2.9
120.04419	2.6
127.03892	34.2
136.06155	6.8
145.04944	52.7
145.06006	4.3
153.01797	6.9
158.99620	2.8
163.06018	11.8
178.53035	1.8
188.70326	2.1
193.03061	3.3
229.10793	4.7
258.95377	3.1
263.95776	2.8
264.09866	2.3
278.49146	2.0
282.08215	2.7
282.22089	4.2
282.97717	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	283.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07507	5.4
53.03924	6.1
55.05504	7.3
55.79435	5.7
56.05015	13.2
56.96561	9.9
59.03733	7.1
59.06128	47.4
60.04519	17.0
65.03915	8.8
67.05488	8.2
68.05037	5.7
69.07040	5.5
71.10884	7.4
71.11224	6.5
71.50840	5.1
72.04501	12.3
72.06888	14.6
72.08154	13.0
74.06066	7.8
79.05479	7.0
80.05002	9.7
81.03424	8.1
81.04522	24.1
83.06084	22.2
84.04494	29.1
85.07680	5.3
92.90370	5.7
93.04494	6.1
94.02907	8.0
94.06560	12.8
95.04948	14.2
96.04479	12.0
99.05554	6.9
100.03933	17.2
100.06366	16.2
104.04917	8.3
106.02898	6.0
106.06548	8.9
108.04481	27.8
109.02859	12.3
110.06000	13.8
110.07160	22.2
111.04426	8.9
114.05470	6.4
120.04430	6.0
121.02878	7.9
121.05093	9.2
121.07632	9.6
121.10130	6.4
122.06050	11.6
123.04375	13.2
124.03939	22.4
125.02359	9.0
125.04704	6.7
126.05528	9.9
127.03873	13.7
127.05059	10.9
128.07089	8.3
132.04437	7.4
133.07632	6.7
134.06001	20.5
134.25948	6.0
135.05440	9.0
136.03912	31.3
136.04893	10.0
137.02303	15.4
137.04718	10.3
138.05464	18.7
139.03894	36.2
140.03407	9.8
140.07042	9.5
141.01741	6.7
141.06619	6.1
142.04962	35.0
148.03952	5.8
149.07082	37.5
150.05482	24.9
151.03877	15.3
152.03403	25.5
152.07042	10.8
153.01817	32.7
154.04977	16.6
155.03377	15.1
155.11771	7.6
156.06577	9.1
159.05540	12.5
160.03902	15.4
161.07066	13.1
162.05505	22.4
164.03400	18.0
165.01811	22.8
165.04266	9.5
166.04962	15.8
167.03369	9.7
168.06583	21.9
169.01289	19.5
170.04591	7.2
171.93954	6.0
177.01749	5.7
177.06604	46.5
178.05000	39.0
179.03317	6.3
180.02879	19.4
180.06554	11.9
181.06133	6.4
182.04425	11.9
183.02873	16.2
184.06049	13.5
185.04439	7.0
187.04977	17.2
188.03455	10.3
188.18858	6.2
189.06609	10.0
191.08162	8.5
192.02898	42.1
192.06511	12.4
193.01207	8.0
193.03754	26.9
194.04424	18.7
196.06079	25.0
197.04532	27.9
197.06091	5.5
205.06036	42.6
206.04488	38.2
206.06699	9.3
207.07550	8.5
208.02588	6.9
208.06186	7.2
209.05478	7.2
210.03964	19.4
210.07512	5.1
211.04611	7.3
215.98277	12.3
219.07661	14.3
220.05998	13.4
222.04057	10.4
223.07146	16.3
224.05516	33.2
225.04086	9.1
225.06293	47.5
227.00389	6.7
233.05486	43.3
237.08731	28.3
238.07214	7.8
247.07063	12.4
251.06613	25.3
265.08157	60.9
266.06677	8.1
273.89877	6.8
279.85028	6.2
282.98849	16.8
283.09229	100.0
283.12228	9.5
283.17667	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	281.2108
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
50.21030	1.5
53.03943	3.7
55.01855	3.2
55.05501	16.7
56.96550	9.2
57.03414	4.6
57.07060	8.3
58.79475	1.3
59.04988	3.1
65.03929	2.9
67.05498	25.8
69.03419	4.3
69.07056	23.8
71.04988	27.7
71.08600	2.1
71.59046	1.8
72.08107	1.8
73.01295	1.3
73.06541	2.3
74.85871	1.4
76.93444	1.5
79.05478	20.5
81.07045	100.0
82.07369	2.3
83.04972	2.8
83.08603	11.3
84.08147	1.7
85.02884	3.8
85.06541	8.4
85.10171	1.7
87.04440	2.1
89.05995	1.8
91.05473	14.2
93.07034	41.8
95.04953	4.7
95.08593	87.3
97.06512	8.6
97.10152	5.3
98.97563	11.2
99.04469	1.5
99.08084	9.0
105.07028	21.5
107.04945	2.7
107.08582	29.2
109.06478	4.4
109.10146	29.0
111.08067	9.5
111.11710	2.3
113.09608	2.8
115.05461	1.4
116.98610	11.9
117.06995	6.4
119.08552	14.6
121.06489	4.1
121.10135	16.6
123.08051	32.2
123.11680	13.7
125.09527	2.6
127.07554	1.9
127.11168	7.0
129.06984	2.2
131.08501	9.9
133.10118	17.6
133.41742	1.6
134.09549	1.8
134.99608	7.2
135.08022	2.9
135.11673	45.5
136.12086	2.2
137.09581	6.7
137.13219	7.2
139.11139	1.8
140.00110	1.7
141.09071	17.1
141.12704	2.8
142.07695	2.3
143.08531	4.4
145.10107	7.5
146.99640	2.2
147.11656	12.8
149.09579	3.9
149.13243	9.3
151.11188	3.6
153.00700	3.1
153.01808	5.2
153.09070	1.8
153.12746	26.1
157.10095	8.0
158.99670	3.2
159.11681	56.8
160.12022	2.4
161.09592	3.7
161.13210	4.3
163.11247	2.6
165.12708	6.2
167.10677	3.1
167.14297	1.8
171.11674	7.7
173.13220	7.6
175.11130	2.0
175.14787	15.0
176.96951	2.4
177.00674	5.4
177.12717	19.3
181.12265	2.5
183.11758	1.9
185.13220	6.0
187.14760	1.9
189.12694	4.4
191.12157	1.7
193.12216	1.9
193.15836	4.4
195.13779	49.2
203.14272	2.1
203.17839	3.9
207.13817	4.8
217.19585	2.1
227.17851	11.7
245.18959	29.9
261.12433	13.6
263.20038	38.0
277.00867	2.8
280.64417	5.3
281.15411	1.6
281.21082	10.6
281.25110	1.7
284.54147	1.6
299.06061	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	281.2472
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.03917	0.8
53.91684	0.7
55.01864	1.5
55.05262	0.9
55.05508	13.2
57.07070	11.3
59.04966	1.2
66.69637	0.7
67.05498	14.9
69.03438	1.2
69.07060	39.4
70.01134	1.6
70.01542	2.4
70.61684	0.8
71.04978	4.3
71.08613	3.4
75.71419	0.7
79.05482	6.1
81.07050	30.7
83.08612	29.9
84.16659	0.7
85.06541	5.0
85.10173	0.9
91.05477	4.2
93.06461	1.4
93.07036	21.9
95.08596	100.0
96.08924	1.6
97.06548	1.7
97.10156	5.4
98.97533	1.1
99.08095	1.4
104.70820	0.7
105.07021	7.1
107.08585	22.0
109.06496	0.8
109.10142	22.2
111.08057	3.0
111.11692	2.5
113.09634	41.5
116.98545	1.2
119.08582	9.8
121.10142	10.6
123.08043	3.5
123.11682	7.8
125.09616	5.3
125.13319	1.8
129.12756	1.0
131.08592	1.0
133.10124	9.2
134.99710	0.8
135.11685	11.2
136.04666	0.8
137.09598	18.3
137.13249	6.2
139.11160	1.6
141.09081	1.8
147.11656	8.0
149.13239	19.6
151.11160	7.2
151.14851	2.2
153.01837	1.1
159.10132	2.8
161.13249	6.6
163.14807	3.8
165.16269	1.1
165.79395	0.8
167.14308	4.7
175.14812	6.8
177.16350	2.2
178.19153	0.7
189.16360	11.7
193.15846	1.4
193.19441	0.8
203.18036	1.9
205.19469	5.3
207.17461	1.0
219.21033	2.0
221.33582	0.7
245.22623	23.2
251.29881	0.8
263.23642	6.2
277.00876	1.0
281.24753	33.1
281.27863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
50.86209	0.3
51.02364	0.8
53.03930	0.9
55.01864	0.9
55.05503	15.0
56.96557	4.2
57.03423	0.6
57.07062	1.9
65.03926	0.6
67.05490	3.5
69.03403	1.8
69.06715	0.6
69.07059	8.8
69.98496	1.5
71.04977	1.0
71.08618	1.3
72.08136	1.3
73.02901	0.5
79.01390	0.5
79.01842	6.9
79.05486	1.3
81.07045	7.1
83.04966	2.5
83.08598	2.8
85.02883	1.3
85.06538	1.4
87.04417	0.4
93.07035	2.2
95.04935	0.7
95.08594	5.6
97.02860	2.0
97.06518	0.5
97.10156	21.5
98.97573	3.8
105.07016	1.4
107.01299	1.4
107.08584	2.7
109.10142	4.9
111.04425	4.7
111.11726	0.9
113.09625	0.9
116.98611	2.1
119.08542	0.7
121.10141	2.0
123.11682	2.2
125.02338	5.1
125.09595	3.3
127.11180	0.4
129.05470	0.4
133.02814	0.4
133.10104	0.8
134.99641	1.4
135.11707	1.1
137.13235	0.8
139.03877	0.7
139.11276	0.4
143.03380	10.8
143.10658	2.4
145.06441	0.8
145.55325	0.4
149.13251	1.0
151.03938	0.7
153.01807	100.0
153.02800	4.1
154.02130	4.0
158.99625	0.9
161.05986	0.4
161.13165	0.7
163.03934	0.5
163.14760	0.6
173.06096	0.5
175.14731	0.5
177.00728	0.9
177.16499	0.4
179.03397	1.2
181.01297	1.1
182.11476	0.9
185.11913	0.8
189.16322	0.5
191.03317	1.0
191.11911	2.0
191.62035	0.7
195.03001	0.6
200.12405	3.2
200.62637	0.5
201.05589	0.6
204.07996	0.5
207.02959	1.9
209.04407	0.4
209.12967	0.9
209.63161	0.5
211.63269	0.5
219.06552	0.8
221.04605	0.5
223.02419	1.8
237.03870	1.2
245.22662	1.3
257.14297	0.5
263.13989	1.1
263.23682	1.5
264.19495	0.5
266.14590	0.6
269.69781	0.5
271.63910	1.2
272.14459	3.9
272.64731	1.5
273.15295	0.8
280.64413	0.5
281.06567	2.3
281.15088	4.2
281.22183	0.8
281.24750	3.2
281.65189	1.8
282.15695	0.8
283.44485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.5
55.01873	8.7
55.05264	2.8
55.05505	41.9
55.93510	5.8
56.94296	3.5
56.96542	4.9
57.03189	2.3
57.03432	28.9
57.07074	13.4
59.04972	2.5
65.03920	5.2
67.05498	97.7
69.03402	6.0
69.06729	2.9
69.07062	41.9
69.45296	7.7
69.45718	6.7
70.95860	9.6
71.04968	5.7
71.08614	7.6
72.93399	1.9
72.93782	23.3
73.02895	1.9
73.06536	2.3
77.03893	1.8
79.05485	97.1
81.03420	13.6
81.07049	82.2
83.04969	33.9
83.08614	22.0
85.02888	2.5
85.06510	7.5
85.10172	2.2
86.37052	1.7
88.96881	7.4
90.94810	17.1
91.05470	71.4
93.07034	77.2
95.04961	31.2
95.08591	70.1
97.02876	2.7
97.05973	1.5
97.06493	8.7
97.10125	12.3
98.97559	8.3
99.04446	3.2
99.08072	4.7
101.05999	2.5
103.05447	2.3
105.07020	64.9
107.04935	7.5
107.08580	28.2
108.95873	8.5
109.06532	10.4
109.09451	1.6
109.10136	34.3
111.08086	2.5
111.11731	2.6
113.09640	2.4
115.05460	3.6
116.96370	2.0
116.98586	6.1
117.07057	9.9
119.08567	37.4
121.06494	4.1
121.10137	8.8
123.08065	9.4
123.11684	6.6
125.09607	2.5
126.98422	2.6
128.06223	3.3
128.96323	2.7
129.06970	17.9
130.97783	2.3
131.08549	5.5
133.06447	5.1
133.10114	16.5
134.97372	3.0
134.99634	7.4
135.11661	6.1
137.09616	3.3
137.13255	2.8
138.98341	3.3
142.97911	2.1
143.03355	2.1
143.08554	17.4
144.95811	2.3
144.99460	3.3
145.10124	9.6
146.41440	1.8
146.97397	4.1
147.08014	3.7
147.11670	38.6
148.98947	4.1
149.13255	4.4
150.98354	2.8
151.11162	2.2
151.14824	1.8
153.01761	16.9
158.99785	2.7
159.01007	7.0
160.98967	1.9
161.05994	2.0
161.09579	4.7
161.13231	18.2
162.96866	7.1
163.00584	2.0
163.11147	2.8
164.99944	10.3
166.97910	3.8
168.99492	2.9
171.01170	2.3
171.11673	26.2
175.14839	2.4
177.00610	2.6
178.97890	2.9
179.01521	6.1
180.99451	7.0
183.00986	2.6
184.98927	6.7
187.00505	3.2
189.03581	8.0
189.12692	11.4
191.04945	2.0
192.99461	22.0
195.00882	2.9
196.98904	2.7
199.00508	7.0
207.00970	9.8
207.13710	8.9
211.00473	2.5
213.02083	2.8
214.99895	1.9
217.03133	2.8
219.01083	2.4
225.02101	3.4
233.02553	3.7
234.92142	2.7
235.04208	3.3
237.05701	2.3
245.22629	2.9
249.02155	2.8
251.03508	2.2
253.05107	7.6
255.06627	8.6
263.03516	4.7
272.14499	5.3
276.06955	1.9
277.00873	4.1
280.64481	2.2
281.04681	100.0
281.14749	2.6
281.17358	32.0
281.24927	5.0
281.28207	3.8
282.05020	6.2
291.12677	1.9
292.65958	2.0
299.05789	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	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.0
53.03935	5.9
55.01859	3.7
55.05503	34.8
56.96558	5.7
57.03432	22.3
57.07066	7.6
61.02903	1.5
65.03919	3.6
67.05495	69.3
69.03410	6.9
69.07058	41.6
69.07335	0.7
71.04983	8.6
71.08625	3.1
71.58772	1.3
73.02870	1.2
73.06528	1.5
73.33832	1.1
75.32877	1.1
79.05484	63.3
81.03426	6.7
81.07047	97.3
83.04971	19.3
83.08608	15.8
85.02882	3.9
85.06535	4.7
87.04429	1.6
91.04897	2.0
91.05467	42.4
93.07033	57.2
95.04956	19.0
95.08595	100.0
97.02864	3.3
97.06506	7.7
97.10150	12.4
98.97566	4.4
99.08087	2.2
101.06033	1.3
105.04508	1.7
105.07014	36.8
107.04943	3.5
107.08575	22.5
109.06487	7.9
109.10139	24.9
111.08080	4.7
111.11713	2.4
113.09635	5.4
115.05438	2.0
116.98621	3.3
117.06997	7.1
119.08572	21.1
121.06501	2.7
121.10137	10.8
123.08050	7.4
123.11694	22.7
125.09624	4.2
127.11165	2.7
128.06194	1.4
129.07004	12.6
130.07768	1.1
131.08572	3.1
131.53621	1.1
133.06522	1.8
133.10124	10.4
134.99643	3.8
135.11703	5.7
137.09589	5.2
137.13242	31.6
139.11156	4.4
141.07080	1.2
141.09056	2.9
143.08542	5.7
145.10115	8.0
146.05957	1.2
146.99689	1.4
147.08020	3.3
147.11673	26.2
149.13240	4.6
151.11147	1.7
151.14711	1.3
153.01811	8.1
155.08601	1.3
157.10069	1.3
159.11624	2.0
161.09608	3.8
161.13243	9.7
163.14778	1.6
165.12761	2.4
171.11665	15.7
177.00699	2.5
177.16359	2.0
185.13261	1.3
189.12740	9.2
189.16373	3.4
190.11241	1.3
191.90266	1.2
197.13278	2.0
200.12517	2.5
207.13779	6.9
209.12923	1.5
231.17387	5.9
245.22652	4.2
260.10016	2.2
263.20111	3.5
263.23654	5.0
269.10425	5.4
271.63922	4.8
272.14392	2.2
280.61325	2.4
280.64481	4.6
281.14368	4.0
281.17331	13.3
281.21747	1.5
281.24792	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	281.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32692	0.2
51.02376	0.8
55.01855	0.3
55.05232	0.2
55.05487	1.1
56.96557	0.8
61.37036	0.2
65.03932	0.2
67.05503	1.0
67.51089	0.2
69.03423	0.6
69.07063	0.6
70.30306	0.6
70.30676	0.4
72.08152	0.4
72.74372	0.2
74.48684	0.2
75.75227	0.2
79.01849	7.2
81.07047	0.6
83.04971	3.0
85.02887	0.6
85.06551	0.2
91.05494	0.3
95.08607	0.5
97.02896	1.7
98.97588	0.5
105.06992	0.3
107.01286	1.6
111.04435	5.2
116.98630	0.3
119.04895	0.2
123.00764	0.4
125.02335	4.9
129.05406	0.6
133.02850	0.3
139.03879	0.6
143.03386	11.7
145.06514	0.3
147.04355	0.3
151.03954	0.3
153.01816	100.0
153.02806	4.1
154.02161	0.8
161.06003	0.4
163.03905	1.1
173.05962	0.4
179.03349	1.4
181.01337	0.9
190.61169	0.2
191.03436	1.1
191.11928	0.3
195.02878	0.7
199.11710	0.3
199.61760	0.4
201.05493	0.6
207.02873	1.8
207.61101	0.2
208.62384	0.5
209.04453	0.5
217.04944	0.3
219.02921	0.3
219.06445	0.5
221.04491	0.7
223.02364	2.1
237.03951	0.7
263.05533	0.4
264.19342	0.2
271.63928	0.3
272.14557	0.8
281.06546	2.1
281.14890	0.4
281.22003	0.3
299.77106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.4
55.35000	0.6
56.96566	3.8
57.03413	0.7
57.07067	1.8
58.54630	0.7
67.05177	0.6
67.05502	10.2
69.03404	1.6
69.06717	0.8
69.07065	9.0
70.40382	2.5
71.04999	0.8
71.08624	0.9
72.93793	0.8
79.05470	2.4
81.03415	1.2
81.06588	0.8
81.07056	12.0
83.04971	1.3
83.08631	3.3
85.02911	1.1
85.06509	1.5
87.04476	0.8
89.03907	0.6
91.05471	1.8
93.07035	4.3
93.22400	0.6
95.04990	1.0
95.08609	11.3
97.02848	0.8
97.06512	1.1
97.10141	2.1
98.20838	0.8
98.97562	2.8
99.04445	0.7
99.08080	0.7
105.07018	2.6
107.08591	3.5
109.06486	0.9
109.10157	28.7
111.08057	0.8
111.11709	1.3
113.09624	2.3
116.98611	2.5
117.07002	1.4
119.08570	2.9
121.06513	0.8
121.10146	3.0
121.18744	0.8
123.08052	0.8
123.11691	2.4
125.09602	0.9
127.03905	0.7
128.06210	0.7
131.08528	1.1
133.10103	2.7
134.10503	0.9
134.99667	1.7
135.11699	2.1
137.09575	2.8
137.13246	1.7
139.11179	0.7
147.11684	1.0
149.13249	1.3
151.11191	0.9
153.01842	4.4
157.10062	0.9
158.99622	1.0
163.14792	0.8
171.11668	1.2
175.14821	0.9
177.00671	1.2
182.11522	0.8
189.12746	0.8
191.11934	2.1
200.12404	0.9
207.09941	1.1
209.12959	2.0
220.63710	0.7
231.17589	0.7
231.31958	0.8
243.10741	3.1
245.22594	1.8
263.23627	1.9
272.14484	3.6
281.13568	100.0
281.24762	2.7
281.65311	1.1
282.13901	0.7
299.05634	1.7
299.13074	0.7
302.16476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.2
51.02375	0.6
55.01857	0.3
55.05490	0.6
56.96547	0.4
57.03416	0.1
65.03907	0.3
67.05505	0.7
69.03417	0.9
70.00871	0.8
74.55695	0.1
79.01846	6.5
79.05484	0.4
81.07037	0.2
83.04970	2.8
85.02880	0.5
91.05490	0.3
97.02873	1.3
98.20858	0.2
98.97572	0.3
105.03342	0.2
105.07011	0.2
107.01318	1.4
107.04960	0.2
107.08574	0.3
111.04420	4.2
115.05460	0.2
116.98603	0.3
117.07010	0.2
119.04951	0.3
123.00739	0.2
125.02344	4.0
126.07746	0.2
129.05469	0.5
133.02843	0.4
133.10097	0.2
137.09572	0.4
139.03870	0.5
143.03378	9.8
145.06450	0.5
147.04417	0.4
151.03909	0.4
153.01810	100.0
153.02802	4.2
154.02164	0.6
161.05963	0.4
163.03914	0.8
171.04413	0.2
173.06046	0.7
179.03354	1.0
181.01309	0.9
189.05467	0.3
191.03381	1.0
191.14305	0.5
193.04962	0.2
195.02861	0.5
201.05466	0.7
207.02887	2.1
209.04486	0.5
217.04924	0.4
219.02890	0.4
219.06476	0.8
221.04471	0.6
223.02359	2.1
231.42680	0.2
235.05984	0.3
237.03923	0.9
241.00336	0.2
245.04468	0.3
247.01416	0.2
255.35155	0.2
259.01215	0.4
263.05420	0.2
277.02216	0.3
281.06564	2.4
283.01221	0.2
301.02280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02355	0.7
51.59325	0.1
52.02209	0.1
53.00284	0.2
55.01864	0.4
55.05489	0.5
60.16539	0.1
65.03947	0.2
67.05517	0.7
69.03419	0.6
71.50594	0.3
79.01389	0.3
79.01843	6.5
79.05508	0.2
83.04976	2.6
84.31027	0.1
85.02879	0.4
87.00835	0.2
90.31257	0.1
95.04954	0.2
95.08584	0.2
97.02869	1.5
105.06984	0.3
107.01310	1.7
111.04431	4.5
115.05455	0.2
117.07006	0.2
119.04903	0.2
123.00784	0.4
123.04466	0.2
125.02334	4.8
129.05458	0.5
133.02843	0.5
136.93709	0.2
139.03900	0.3
143.03383	9.6
145.06482	0.6
147.04422	0.3
151.03877	0.4
153.01808	100.0
153.02808	4.3
154.02115	0.9
161.05940	0.4
163.03883	0.9
165.05539	0.2
167.03458	0.3
173.06015	0.6
175.03868	0.3
176.75842	0.1
179.03354	1.4
181.01286	0.7
189.05467	0.4
191.03352	1.3
195.02863	0.4
201.05402	0.8
207.02901	2.2
209.04420	0.4
217.04930	0.4
219.02942	0.2
219.06488	0.9
221.04462	0.7
223.02341	1.9
235.05971	0.2
237.03957	1.1
245.04535	0.3
263.05408	0.3
281.06580	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	280.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03940	0.8
55.05494	0.4
56.96544	0.5
67.05485	0.4
69.07043	0.7
70.75520	0.4
73.86169	0.2
77.03908	0.3
79.05479	7.8
81.07044	0.4
83.08608	0.3
84.47200	0.1
93.07030	0.2
95.04955	2.1
97.10159	0.2
98.97585	0.2
103.05450	5.9
105.07012	100.0
106.07355	0.7
116.98595	0.3
118.06497	1.1
132.08072	0.4
133.08847	0.2
134.99644	0.2
146.09651	0.4
150.02684	0.3
160.11140	0.2
176.12794	0.3
176.14328	5.6
236.14323	0.3
237.14900	0.2
280.20554	86.0
281.20889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.7
57.07049	0.6
71.11481	1.1
71.11826	0.9
81.07044	0.6
98.97575	2.0
114.07986	0.5
116.98562	2.4
119.01895	2.8
134.99718	3.0
136.04500	1.3
137.02975	2.4
153.00853	2.0
158.99883	1.3
173.67393	0.5
177.00938	42.4
178.01045	3.8
179.00650	3.3
182.99876	1.1
192.20845	0.5
195.02037	2.0
200.02518	0.9
201.00908	3.0
203.02686	0.5
204.02380	0.7
218.03674	2.7
219.01988	100.0
220.02118	6.1
221.01851	2.6
223.01497	0.6
232.02071	0.6
233.01697	0.5
234.03331	0.5
240.02138	0.8
242.03448	2.6
258.00470	1.0
258.03067	14.4
258.99744	1.1
259.03500	1.0
260.04852	1.0
273.02979	0.6
276.01321	1.1
276.04160	28.1
277.00650	2.1
277.03043	2.6
281.04770	1.1
282.03018	2.1
282.99982	0.6
299.05872	10.2
300.04102	6.9
301.00934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.6
65.03917	1.2
68.17002	0.6
70.06590	0.7
70.76706	0.5
70.98994	1.1
81.37263	0.5
84.08156	0.5
85.25211	0.5
86.09684	0.6
91.05477	13.2
98.26305	0.5
98.97549	0.5
99.00359	0.4
116.98516	0.5
119.04932	29.4
136.06180	0.7
147.04398	100.0
148.04747	0.8
149.02330	0.7
150.02669	0.6
153.01816	0.5
182.71503	0.4
231.61279	0.5
241.18858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0815
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
50.54314	0.3
55.93515	0.4
65.03938	1.0
68.18399	0.4
71.58958	0.6
71.92995	0.4
72.88271	0.4
73.13913	0.3
79.82161	0.3
80.00066	0.3
91.05479	11.1
106.74393	0.3
109.02872	0.3
113.07056	0.3
119.04940	28.7
126.67435	0.3
147.04404	100.0
148.04724	1.2
150.02643	0.3
190.48573	0.3
191.20665	0.3
224.94754	0.4
225.95102	0.4
242.95917	0.7
243.96123	0.5
274.97998	0.9
280.05203	0.7
297.99567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01849	3.9
55.05272	1.5
55.05505	11.1
55.95468	1.7
56.05032	1.9
56.96561	3.8
57.03414	3.2
57.05807	1.4
58.06592	2.4
61.02911	3.5
61.43559	1.3
67.01843	1.3
69.03423	15.5
70.06552	1.4
71.04969	2.4
71.58276	2.2
72.08148	100.0
73.02940	2.8
74.06076	2.8
76.07635	8.6
81.03426	6.4
84.08151	1.7
85.02471	1.5
85.02902	14.8
87.04454	2.1
96.37918	1.5
97.02877	12.0
97.40099	1.3
98.06011	1.8
98.97556	5.7
99.04426	2.8
100.07597	5.6
105.96318	2.2
109.02869	14.3
116.98610	5.1
118.08646	26.3
119.01801	1.9
125.02362	2.0
127.03909	15.9
133.03429	2.2
134.99684	1.8
145.04939	5.3
146.99586	2.1
150.02620	3.8
153.01820	6.5
161.04515	2.5
170.05070	10.6
173.02972	1.9
173.04460	2.3
177.00627	4.4
177.04323	2.7
178.01045	2.0
180.10118	2.1
190.00955	1.7
234.13312	2.0
244.11794	6.6
256.75504	1.2
262.12814	6.0
268.96826	1.3
280.10284	2.1
280.13855	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	279.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01865	2.1
55.05501	19.3
56.96559	8.0
57.03415	2.6
57.07069	14.9
58.55335	1.6
59.04996	3.7
65.03930	2.6
66.75641	1.3
67.05497	34.5
69.03403	3.7
69.07059	50.3
70.06561	1.5
71.04983	3.0
71.08620	5.0
71.59727	2.6
72.08145	1.3
79.05483	15.5
81.03404	1.4
81.07047	100.0
83.04974	1.7
83.08604	22.2
84.08125	2.9
85.02892	3.4
85.06525	5.2
89.03907	2.2
91.05472	8.3
93.07039	16.1
95.04964	2.0
95.08595	88.6
96.94016	1.2
97.02872	3.3
97.06516	3.8
97.10156	14.3
98.10468	1.1
98.97577	15.1
104.99250	1.6
105.06999	6.2
107.08577	17.8
109.06514	1.8
109.10141	42.2
110.97595	2.1
111.08054	2.5
111.11714	6.7
112.11221	4.5
112.70296	1.3
113.09672	1.3
116.74532	1.2
116.98602	16.2
117.03354	4.5
119.01915	2.9
119.08567	3.6
121.02831	1.5
121.10130	13.6
121.59832	1.4
123.11687	18.8
125.09582	2.9
128.98564	6.3
129.13858	2.7
133.01808	1.7
133.10120	1.8
134.99637	14.2
135.11681	12.1
137.13240	20.0
139.11188	1.7
145.02853	6.7
145.10123	2.7
146.03178	2.3
146.88853	1.3
146.99609	7.6
147.11650	2.2
149.01131	3.1
149.02313	47.5
149.03481	2.8
149.09592	1.4
149.13251	10.1
151.05840	1.3
151.14804	3.7
153.00723	1.7
153.01814	5.2
158.01111	1.8
158.99622	3.8
161.02939	2.6
163.14786	2.5
165.16322	2.3
173.13269	2.0
177.00664	13.8
177.05493	9.0
177.16331	1.9
178.05829	4.2
189.00673	8.7
195.01743	2.1
198.10742	2.0
200.02376	1.9
207.01765	5.6
207.11499	1.5
219.05681	1.7
229.07448	1.4
261.21964	1.9
261.25726	4.1
265.03284	3.4
279.09280	2.6
279.13412	3.6
279.18478	3.0
279.23392	3.3
279.26822	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	279.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01866	1.7
55.05505	31.2
55.58354	1.4
56.96557	17.2
57.03422	2.2
57.07070	21.1
59.04996	15.7
60.13893	1.7
61.02951	1.9
65.03947	2.1
67.05500	25.3
69.03425	6.5
69.07063	100.0
71.04970	4.2
71.08610	5.2
71.59592	1.6
71.60009	2.2
71.60372	1.7
79.05488	12.1
81.03387	2.2
81.07052	61.1
83.05005	3.2
83.08609	40.0
84.08134	6.0
85.02894	5.5
85.06541	6.4
85.51910	1.5
89.03923	4.3
91.05470	7.2
92.14283	1.6
93.07034	26.1
95.04954	3.9
95.08598	58.4
97.02931	2.8
97.06527	7.0
97.10160	11.9
98.97578	14.9
99.08071	2.4
101.12981	1.4
105.07035	8.8
107.04939	1.8
107.08582	25.5
109.06446	1.9
109.10144	33.5
110.97539	3.5
111.08070	5.4
111.11700	14.1
112.11230	9.5
113.09644	4.5
113.11559	4.1
116.98611	16.6
117.03362	8.4
118.03721	3.4
119.08578	7.1
121.02850	2.5
121.06497	3.1
121.10140	20.1
123.11694	20.0
125.09632	2.9
128.98584	4.7
129.07004	1.9
129.13867	4.5
130.14282	1.8
131.08537	4.0
133.10107	5.5
134.03560	1.9
134.99635	14.5
135.11667	19.0
137.09669	2.1
137.13248	15.2
139.11171	2.3
140.00139	1.9
143.08553	1.9
145.02812	14.0
145.05112	3.0
145.10127	3.7
146.03137	7.5
146.99608	10.2
147.04414	1.8
147.08040	1.8
147.11679	3.7
149.01137	2.4
149.02325	48.7
149.06035	3.2
149.13264	17.4
153.00664	3.5
153.01848	4.5
153.12897	2.4
158.99669	4.6
159.11752	2.8
161.01166	2.6
163.14857	5.5
165.00705	2.3
167.03430	2.8
167.14265	2.7
170.99643	2.0
175.03937	1.7
177.00682	17.4
177.05492	19.7
177.16380	3.7
178.05739	9.1
183.17517	2.7
189.00597	8.2
191.17891	4.7
195.01695	3.2
195.17569	1.5
198.10989	1.9
199.11656	2.3
200.02290	2.5
205.04893	2.4
205.19460	4.6
207.01787	4.8
207.11481	2.7
208.12247	4.7
209.18903	3.3
219.05583	1.8
219.21095	2.1
221.13213	1.6
223.11340	2.2
235.11481	1.6
257.10675	6.2
259.11752	3.5
261.22159	2.2
261.25790	8.6
271.13751	4.4
275.11703	4.6
279.04465	1.9
279.09479	6.0
279.13504	1.9
279.17319	3.8
279.23267	6.6
279.26846	16.5
279.63943	1.8
280.14435	12.8
297.09940	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
51.24495	1.1
53.03936	1.6
55.05499	7.6
56.96558	5.4
57.07063	4.6
59.04980	1.4
59.93768	1.0
67.05489	12.5
68.84511	1.0
69.03411	1.6
69.07059	16.8
69.61874	1.0
70.78432	1.1
71.04968	2.6
71.20512	2.7
71.49992	0.9
74.02534	1.1
79.05479	5.9
81.07048	28.3
82.65336	0.9
83.08590	5.6
84.08123	2.1
84.64767	1.1
85.06534	2.4
89.03895	1.4
91.05455	4.4
93.07034	11.9
95.04970	2.1
95.08597	100.0
97.02895	1.4
97.06514	1.5
97.10132	1.8
97.75403	1.1
98.97588	8.4
101.32342	1.2
105.07010	6.2
107.08566	11.4
109.06500	1.1
109.10153	13.8
110.97567	1.3
111.08073	4.0
111.11728	1.8
112.11231	3.7
113.09633	67.8
114.10019	1.2
116.98587	9.0
117.03355	3.1
119.08544	3.4
121.10123	8.4
123.08041	5.7
123.11687	7.0
125.09605	1.9
128.98578	1.5
129.13852	3.1
131.08572	2.6
133.10117	3.0
134.99635	4.1
135.07965	1.7
135.11679	3.4
137.09589	1.7
137.13263	5.5
141.09099	7.5
141.10014	1.3
143.00090	1.3
145.02802	7.3
145.10097	3.1
146.03174	1.6
146.99631	3.5
147.11688	5.8
149.02322	17.4
149.05876	1.3
149.09607	2.4
149.13248	3.4
150.02699	1.2
151.11081	1.4
153.12756	1.6
158.99644	2.3
159.10150	12.7
159.11649	3.2
161.13260	2.0
163.14825	2.3
165.12698	3.0
167.14288	1.6
173.13264	1.7
177.00656	5.2
177.05463	8.0
177.16327	1.5
178.05798	3.5
187.14825	2.0
189.00716	2.8
189.10402	1.6
198.10832	2.5
199.11650	2.7
203.17981	5.6
207.01720	2.4
208.12164	1.6
219.05450	1.3
243.21054	2.7
261.22095	5.0
271.13684	5.6
279.04202	1.3
279.13394	2.3
279.20291	1.9
279.23178	26.4
279.26288	1.6
280.14264	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	279.2315
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
53.03943	1.7
55.01860	3.5
55.05501	16.7
56.96556	16.9
57.03413	1.9
57.07069	11.7
58.06592	1.2
59.04982	4.8
61.02906	2.9
65.03918	2.3
67.05497	25.0
69.03421	10.4
69.06712	2.3
69.07060	31.5
69.39487	4.5
69.39898	7.4
71.04974	4.5
71.08599	3.1
73.02891	1.9
73.64049	1.2
79.05479	12.3
81.00755	1.3
81.03421	1.8
81.07044	60.9
83.04974	2.7
83.08619	10.6
84.08130	5.0
85.02914	7.1
85.06532	5.8
85.08462	2.0
87.04458	3.0
88.96876	2.2
89.03889	5.2
90.04247	2.4
90.94830	1.3
91.05466	8.9
93.06469	1.8
93.07031	22.7
95.04938	6.9
95.08592	100.0
96.08935	1.7
97.02889	5.7
97.06500	6.9
97.10162	5.4
98.20696	1.5
98.97572	16.8
99.08061	2.1
103.05440	1.9
105.07032	10.7
107.08577	17.9
109.02839	1.6
109.06504	4.3
109.10139	25.3
109.10825	2.5
110.97549	2.6
111.08077	5.5
111.11687	2.4
112.11216	7.8
113.09622	47.4
113.11575	1.8
115.07549	2.2
116.98598	15.4
117.03353	7.5
117.06969	2.2
118.00491	1.4
118.03697	4.2
119.08572	8.9
121.02876	2.8
121.06489	1.4
121.10127	15.6
123.08050	4.7
123.11685	17.8
125.09605	4.9
127.03899	2.0
128.04953	1.2
128.98630	6.7
129.13861	5.4
130.14142	1.9
131.08578	2.4
133.10104	6.5
134.99640	15.8
135.08087	2.0
135.11664	10.3
136.04689	1.6
137.09575	1.9
137.13242	10.5
141.09088	3.9
145.02806	15.8
145.05133	1.8
145.10074	3.6
146.03133	6.7
146.99596	8.8
147.11679	6.3
149.01149	3.3
149.02318	44.4
149.05876	2.6
149.09587	2.3
149.13257	5.4
149.25432	1.5
150.06250	1.8
151.11148	2.7
152.51622	1.4
153.00697	3.3
153.01811	4.5
153.12718	1.6
158.01164	2.1
158.99657	4.6
159.10150	11.4
159.11624	3.6
161.01215	2.7
161.13248	5.0
163.14804	3.5
164.96916	1.4
165.00717	3.6
165.12729	1.9
170.99582	3.3
173.13258	4.3
177.00690	16.5
177.05435	22.8
177.16344	3.9
178.05827	8.3
179.06049	1.5
181.10594	2.0
187.14789	2.6
189.00677	8.1
189.10364	6.1
190.11185	3.7
195.01746	2.0
198.10854	13.1
198.61014	2.0
199.11647	7.7
201.16330	2.1
203.18005	3.3
207.01738	4.7
207.11378	3.2
208.06685	2.7
208.12280	1.9
209.61673	3.2
210.20721	1.5
218.62196	2.0
219.21002	1.7
234.98993	1.6
237.02798	3.8
237.22099	3.2
239.09267	1.7
243.21039	3.6
255.03876	2.0
261.18552	2.4
261.22079	4.4
265.13657	1.5
270.12891	2.1
271.13757	19.9
279.04269	1.8
279.09668	1.5
279.13486	11.4
279.20358	6.1
279.23199	22.2
279.26471	2.8
279.63757	2.0
280.14291	9.0
291.64981	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.37038	0.5
53.03948	1.2
55.05503	7.3
55.89238	0.5
57.07059	1.8
60.19852	0.4
64.58177	0.5
65.03928	2.5
67.05495	99.2
68.05817	0.9
69.07059	6.9
70.77746	1.5
71.04957	0.9
79.05484	9.9
79.17775	0.5
81.07044	100.0
82.07384	1.2
83.04977	0.6
83.08614	4.6
85.06534	1.0
91.05467	2.6
92.05025	0.5
93.07030	9.7
95.04924	0.6
95.08593	74.4
96.08930	1.5
97.06525	1.5
97.10127	2.6
105.07024	2.6
107.08578	5.6
109.06522	0.7
109.10140	48.9
111.11720	0.7
117.06994	0.9
119.08574	2.3
121.10134	4.5
123.08047	1.1
123.11685	27.2
127.07542	1.1
131.08546	3.2
133.10132	1.1
135.08073	0.6
135.11678	3.6
137.09557	0.9
137.13225	9.9
138.13498	0.6
140.87224	0.6
141.09120	0.6
141.76270	0.5
145.10107	1.7
147.11679	2.3
149.02310	3.3
149.09557	1.4
149.13223	2.4
151.11191	0.6
151.14784	2.2
152.08121	0.5
159.11693	1.4
161.13258	2.0
163.11191	1.2
163.14908	1.3
165.12711	1.1
167.10718	0.8
173.13213	3.4
174.94304	0.6
177.12776	1.1
177.16447	0.6
179.14299	0.9
181.12193	1.6
187.14795	2.1
195.13759	2.2
201.16299	0.8
205.15881	0.9
209.15350	2.2
223.16939	1.9
237.18526	0.8
243.21104	1.3
261.22214	2.4
279.23151	30.4
280.23502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.0
57.07074	5.3
61.90725	1.1
67.05487	2.7
70.06584	49.9
81.07030	3.2
83.66090	1.1
84.00658	1.0
84.04509	1.3
84.08103	1.7
88.68218	1.3
91.05473	33.7
93.07023	2.6
95.08588	3.3
98.97572	19.7
109.10155	1.4
110.97553	4.4
112.11268	1.3
114.05503	4.4
116.07079	99.1
116.98598	23.4
119.04922	20.4
121.02849	2.9
121.06536	1.9
128.98610	10.3
134.99641	22.5
136.07564	100.0
137.07921	1.4
146.99635	15.8
147.04387	10.4
149.01134	2.6
149.02328	39.7
153.00706	5.8
153.01791	2.6
158.99672	5.9
159.04289	1.1
165.00700	4.1
170.99593	3.0
177.00703	28.6
189.00677	16.8
195.01747	4.5
201.00731	1.2
207.01729	10.6
229.51114	1.2
237.02798	2.4
243.01926	1.2
255.04083	1.3
259.04584	1.4
261.02939	1.2
262.10751	3.7
279.03937	7.2
279.09888	1.5
279.13376	16.1
279.23056	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03933	1.0
55.01873	0.8
55.05507	9.4
57.03429	1.5
57.07061	2.5
65.03930	1.8
66.67873	0.4
67.05501	96.6
68.05834	0.8
69.07064	8.9
70.50327	0.5
71.04988	1.5
71.26887	0.5
71.59434	0.6
76.29484	0.5
79.05046	1.0
79.05486	11.3
81.07052	100.0
82.07389	0.7
83.04977	1.5
83.08627	5.8
85.06537	1.6
91.05470	4.1
93.07037	12.5
95.04983	1.1
95.08600	80.7
96.08908	1.0
97.06524	1.7
97.10158	3.1
99.08103	0.8
104.99277	0.6
105.07026	3.8
107.08593	9.9
109.06490	1.3
109.10150	45.2
110.10494	0.5
111.08066	1.2
111.11703	1.3
116.98645	0.6
117.07008	1.7
119.08567	3.2
121.10134	7.2
123.08068	2.0
123.11700	24.8
127.07572	1.2
131.08559	3.0
133.10124	2.9
135.08080	1.0
135.11676	4.6
137.09612	1.8
137.13258	9.4
141.09116	0.5
144.53395	0.6
145.10118	3.5
147.11699	3.0
149.02336	9.6
149.09592	1.8
149.13252	2.7
151.11180	1.5
151.14807	2.9
153.09081	1.2
159.11661	2.4
161.13226	1.8
163.11142	1.8
163.14827	1.6
165.16313	0.6
167.10657	1.2
173.13254	2.8
177.12778	1.9
177.16415	1.2
179.14264	1.1
181.12245	1.8
187.14760	3.7
189.00717	0.8
191.14311	1.0
195.13733	2.6
201.16513	0.9
205.15874	1.1
209.15390	2.7
219.05701	1.1
219.21152	0.7
223.16870	2.9
225.19827	0.5
237.18433	1.0
243.21097	3.3
259.00491	0.5
261.22122	4.4
279.09329	1.0
279.19821	2.0
279.23169	37.0
280.23557	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.093
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
53.03932	0.9
53.28185	0.3
55.05495	0.6
56.96547	0.9
57.07045	0.9
67.05212	0.2
67.05493	2.2
69.07040	1.4
69.84747	1.3
71.08587	0.3
77.03942	0.5
79.05457	0.6
81.07040	2.9
83.08588	0.6
91.05452	0.5
93.07049	0.7
95.00466	0.9
95.04952	2.1
95.08586	2.2
97.10162	0.3
98.97582	2.8
99.74384	0.2
104.99198	0.5
105.04473	0.5
105.07011	1.0
107.08594	0.5
109.10153	1.1
110.97563	0.4
116.98609	2.8
117.80872	0.2
119.08598	0.3
121.02821	0.4
122.99934	0.3
123.11675	0.6
128.06175	1.0
128.98579	1.0
129.06989	1.2
133.02029	0.5
134.99640	2.4
137.09518	0.2
139.04086	0.3
141.00929	1.4
141.06876	0.3
145.02850	0.6
146.99617	1.7
149.02330	5.2
153.00658	0.5
154.07733	0.8
157.38863	0.3
158.99634	1.1
165.00731	0.4
170.99605	0.4
171.03564	2.3
173.05124	7.7
177.00706	3.1
177.05447	0.3
183.03587	1.5
189.00694	1.2
200.02135	0.3
201.00746	0.3
201.04601	5.2
207.01726	0.9
219.05667	80.7
220.06073	1.9
231.08963	0.3
237.02826	0.6
241.35934	0.2
279.09293	100.0
279.23090	0.9
280.09641	3.2
280.20529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11475	0.7
53.03929	1.2
55.01855	2.1
55.05475	0.8
66.42962	0.6
68.99757	0.8
69.03412	1.3
70.05519	2.0
70.05940	2.1
70.74671	0.7
72.08134	0.7
79.01831	1.2
79.05480	1.3
81.03407	1.2
84.08124	2.1
85.08492	0.7
89.03895	1.9
91.05443	3.5
93.07005	1.4
95.01286	0.8
95.04958	1.3
97.02863	4.6
98.97562	1.1
103.05457	8.8
103.41676	0.7
105.03365	1.5
105.06981	1.8
107.04926	1.6
109.02870	1.0
112.11233	3.0
113.11529	1.2
115.05427	4.3
116.98550	1.1
117.03358	3.0
119.04926	2.8
121.06490	2.6
123.00770	1.0
125.02321	2.9
129.13873	2.1
131.04907	43.4
132.28027	0.7
133.02818	4.9
133.06427	2.5
133.79250	0.7
135.04388	1.7
137.02303	1.7
137.05934	1.1
139.03867	2.1
143.03343	0.7
143.04893	2.5
145.02847	6.6
146.03165	2.7
147.04376	5.3
149.02298	7.3
149.05963	3.0
151.03876	2.9
153.01811	12.2
159.04391	67.6
161.02341	1.1
161.05951	4.6
163.03897	13.5
165.01817	3.1
165.05437	1.5
171.04408	3.6
175.03850	5.2
176.04527	0.8
177.00592	1.0
177.05446	33.5
178.05786	4.4
179.03355	10.7
179.07039	2.6
181.01303	6.7
183.02861	3.2
187.03888	16.5
188.04407	0.7
189.05428	3.1
191.03339	6.3
193.01300	1.0
193.04929	2.3
195.02931	0.8
197.00798	6.6
199.03854	2.1
203.03401	3.0
205.04932	100.0
206.05328	1.4
207.02866	25.4
209.00749	0.9
215.03362	13.0
216.04102	1.0
217.01250	2.2
217.04897	3.2
219.07970	1.1
221.04427	7.3
223.02339	3.2
223.06041	3.4
231.02914	2.2
233.04411	75.4
234.11221	0.8
235.02361	18.0
243.02899	3.1
249.03815	1.6
251.05464	1.7
255.03935	0.8
261.03885	18.5
261.06436	1.4
279.04950	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	279.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11475	0.7
53.03929	1.2
55.01855	2.1
55.05475	0.8
66.42962	0.6
68.99757	0.8
69.03412	1.3
70.05519	2.0
70.05940	2.1
70.74671	0.7
72.08134	0.7
79.01831	1.2
79.05480	1.3
81.03407	1.2
84.08124	2.1
85.08492	0.7
89.03895	1.9
91.05443	3.5
93.07005	1.4
95.01286	0.8
95.04958	1.3
97.02863	4.6
98.97562	1.1
103.05457	8.8
103.41676	0.7
105.03365	1.5
105.06981	1.8
107.04926	1.6
109.02870	1.0
112.11233	3.0
113.11529	1.2
115.05427	4.3
116.98550	1.1
117.03358	3.0
119.04926	2.8
121.06490	2.6
123.00770	1.0
125.02321	2.9
129.13873	2.1
131.04907	43.4
132.28027	0.7
133.02818	4.9
133.06427	2.5
133.79250	0.7
135.04388	1.7
137.02303	1.7
137.05934	1.1
139.03867	2.1
143.03343	0.7
143.04893	2.5
145.02847	6.6
146.03165	2.7
147.04376	5.3
149.02298	7.3
149.05963	3.0
151.03876	2.9
153.01811	12.2
159.04391	67.6
161.02341	1.1
161.05951	4.6
163.03897	13.5
165.01817	3.1
165.05437	1.5
171.04408	3.6
175.03850	5.2
176.04527	0.8
177.00592	1.0
177.05446	33.5
178.05786	4.4
179.03355	10.7
179.07039	2.6
181.01303	6.7
183.02861	3.2
187.03888	16.5
188.04407	0.7
189.05428	3.1
191.03339	6.3
193.01300	1.0
193.04929	2.3
195.02931	0.8
197.00798	6.6
199.03854	2.1
203.03401	3.0
205.04932	100.0
206.05328	1.4
207.02866	25.4
209.00749	0.9
215.03362	13.0
216.04102	1.0
217.01250	2.2
217.04897	3.2
219.07970	1.1
221.04427	7.3
223.02339	3.2
223.06041	3.4
231.02914	2.2
233.04411	75.4
234.11221	0.8
235.02361	18.0
243.02899	3.1
249.03815	1.6
251.05464	1.7
255.03935	0.8
261.03885	18.5
261.06436	1.4
279.04950	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	279.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.5
53.03929	1.1
55.01857	2.1
57.03397	0.7
57.07069	0.8
65.03900	0.8
68.99780	1.0
69.03417	1.3
70.75414	1.3
70.75819	1.1
77.03910	0.8
79.01820	1.0
79.05475	1.4
84.08129	0.8
89.03896	1.4
91.05476	4.1
93.07017	1.4
95.01299	1.0
95.04940	1.4
97.02881	4.7
103.05446	9.5
105.03413	1.1
105.07001	2.3
107.04935	1.1
109.02867	1.2
112.11222	2.0
113.03867	0.6
115.05460	3.5
117.03346	2.6
119.04953	2.7
121.02789	0.7
121.06464	1.6
123.04410	1.0
125.02306	2.5
129.13867	1.1
131.04915	44.7
132.05247	0.6
133.02855	4.0
133.06453	2.2
135.04408	1.3
137.02370	2.7
139.03876	1.4
143.04880	2.3
145.02859	3.8
146.03178	1.4
147.04384	6.0
149.02315	3.4
149.05931	3.7
151.03908	2.8
153.01802	12.2
159.04399	68.4
160.04756	0.9
161.02289	1.9
161.05963	5.4
163.03905	11.3
165.01810	3.5
165.05490	2.0
171.04404	3.6
175.03867	4.3
177.01880	0.9
177.05452	29.0
178.05811	2.7
179.03397	10.5
179.07033	3.5
181.01315	8.4
183.02924	3.1
187.03870	16.7
189.01758	1.0
189.05426	1.8
191.03372	5.3
193.01224	0.9
193.04933	2.9
195.02907	1.2
197.00774	6.7
199.03926	1.7
203.03407	2.8
205.04941	100.0
206.05267	2.0
207.02875	28.8
209.00713	0.8
215.03403	11.8
216.04120	1.4
217.01303	2.0
217.04840	3.4
219.02811	1.0
221.04431	6.7
223.02342	2.0
223.05942	1.6
231.02803	1.2
232.03589	0.7
233.04425	66.9
234.04814	0.8
235.02364	20.5
243.02878	3.1
249.03865	1.1
251.05405	2.1
261.03925	18.5
279.04968	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0494
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
53.03923	0.8
55.01851	3.2
69.03403	1.5
70.28743	1.6
70.29109	1.4
77.03915	1.4
79.05460	1.8
81.03388	1.9
89.03877	2.3
91.05450	2.7
91.66057	0.6
93.03370	0.7
93.07011	1.6
95.04944	1.6
97.02886	4.3
102.04692	0.7
103.04893	0.7
103.05464	10.9
105.03371	1.2
105.07001	1.8
112.11211	2.2
115.05434	3.3
117.03342	3.1
119.04918	3.4
121.06477	2.7
123.04389	0.8
125.02341	3.2
127.03854	1.2
129.13824	1.8
131.04912	49.5
132.05222	0.9
133.02835	4.3
133.06474	2.8
135.04358	0.9
136.41232	0.7
137.02281	2.7
139.03912	1.4
143.04884	1.2
145.02776	3.9
146.03140	1.4
147.04388	5.6
149.02324	3.5
149.05943	2.9
151.03877	2.5
153.01810	12.8
159.04401	68.4
160.04720	1.6
161.02333	1.7
161.05936	3.3
163.03877	14.2
165.01808	3.3
165.05463	2.8
171.04414	3.6
175.03922	5.1
177.01944	1.1
177.05455	30.2
178.05756	2.5
179.03387	11.6
179.06987	3.3
181.01292	7.4
183.02852	2.7
187.03867	18.1
189.01868	0.8
189.05402	0.9
191.03368	5.5
193.04929	2.9
195.02820	1.2
197.00754	6.8
199.03845	1.7
203.03407	1.9
205.04936	100.0
206.05293	1.7
207.02873	28.0
208.03131	0.7
215.03377	11.9
216.04214	1.5
217.01286	2.6
217.04903	3.0
219.02818	1.3
221.04407	6.4
223.02357	2.8
223.05981	1.7
231.02852	0.8
233.04417	69.3
234.04594	1.7
235.02361	21.7
243.02896	3.9
249.03848	1.3
251.05519	2.0
261.03900	19.2
279.04971	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	278.982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93518	38.4
56.94291	1.6
57.07061	0.8
58.06551	0.5
60.04464	0.6
66.01071	1.3
67.01831	0.6
68.94254	0.6
69.95051	1.5
70.26581	2.0
71.92997	13.3
71.94033	0.6
72.08121	0.8
72.93390	1.1
72.93779	17.5
73.94561	2.2
81.03436	0.5
83.01317	0.6
84.08115	2.0
89.03898	2.0
89.53949	0.5
89.94019	1.9
90.94804	9.2
91.05455	0.7
94.50935	0.6
95.01295	0.9
95.06061	0.9
105.93501	1.0
107.95049	1.6
108.95823	2.1
110.95296	1.3
111.96073	2.7
112.11221	3.4
113.11558	0.8
113.43624	0.6
113.80138	0.6
113.96392	1.0
117.03342	2.5
117.33862	0.6
118.03672	0.8
123.94518	1.7
123.96028	0.9
124.96920	0.5
125.02340	0.6
125.08323	1.1
125.96089	2.5
126.94756	2.0
129.13872	2.2
129.97116	7.7
134.99725	0.6
144.95825	3.3
145.02824	7.3
146.03148	2.1
146.97324	0.6
147.04393	0.8
149.02301	5.5
149.05887	0.9
152.01021	0.8
153.01758	1.6
157.96582	0.6
159.04375	1.0
160.95325	1.2
163.03871	2.3
173.96053	1.0
177.05457	7.7
178.05844	3.6
178.96393	0.7
183.94507	2.1
190.02554	1.3
191.03322	2.0
191.97054	0.7
195.94424	0.6
196.95181	0.8
197.96112	3.1
201.95543	2.5
205.04872	4.1
206.93761	1.7
207.94409	1.2
211.94040	1.0
213.96783	0.8
214.96300	3.2
215.97150	8.2
219.02824	1.3
223.94994	1.5
224.94774	49.2
225.95531	16.2
228.94258	1.3
228.97984	0.7
229.94904	0.9
230.95667	0.6
232.97469	0.8
233.04344	1.6
235.11554	1.0
237.95578	2.0
238.98737	0.7
239.93600	1.9
241.96024	2.5
242.95842	64.0
243.96490	2.5
244.96231	0.6
246.95270	2.6
247.07220	0.8
247.96323	2.1
255.96585	10.8
259.96115	1.3
261.03891	0.9
269.94504	10.9
273.97656	100.0
274.97980	1.3
278.95108	1.1
278.98221	19.3
279.04959	17.2
279.09576	2.2
279.12994	0.6
287.95590	22.3
287.98792	0.8
291.98755	3.5
296.99258	48.2
297.99387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93832	10.4
55.93518	39.5
56.05033	3.3
58.06593	7.3
58.31075	2.3
60.04518	6.6
66.01079	2.6
70.06577	2.9
71.05761	5.6
71.92997	17.9
71.94108	2.9
72.08126	6.0
72.93781	23.9
73.94604	2.7
80.42625	2.0
82.06594	3.3
83.01320	3.3
84.04501	6.3
84.07633	2.5
84.08134	47.1
85.08501	4.4
89.03895	17.5
89.94048	3.2
90.94828	11.4
91.05473	5.6
95.01353	2.3
96.04510	4.0
98.06049	4.1
98.21040	3.9
100.04011	2.6
105.93525	2.4
108.04481	4.7
108.95808	3.2
109.02889	5.9
110.06033	5.7
111.00809	4.1
111.04433	3.0
111.96017	3.4
112.03991	2.6
112.11228	55.6
113.02379	2.9
113.07133	9.2
113.11584	8.9
113.31007	2.2
117.03374	29.4
118.03738	2.6
119.04935	10.5
120.05267	3.0
120.51097	2.3
124.03947	4.9
125.06048	2.3
126.05454	2.5
126.94785	2.7
128.07080	2.7
128.96208	2.3
129.13852	31.8
129.97147	5.3
130.08640	2.2
130.14217	4.1
133.02863	3.7
133.59677	2.3
135.04424	5.1
136.03905	5.1
138.05508	7.5
139.00266	3.5
139.02748	2.1
140.03378	2.2
142.04993	4.7
143.51346	2.3
145.02821	59.7
147.04391	13.6
148.04755	6.1
149.05965	8.0
153.01770	5.5
154.04988	5.2
155.11781	16.0
163.03908	8.1
164.03418	8.1
166.04964	4.2
167.03436	2.9
168.06584	3.6
169.01323	3.3
171.08301	2.6
171.59738	2.7
175.03958	3.7
177.05443	75.4
178.05849	3.8
182.04526	6.6
184.06096	2.7
185.04466	2.7
196.05992	3.2
197.96046	3.9
198.07593	2.4
201.05402	2.9
201.95743	2.7
202.74036	2.3
203.22406	2.6
207.06470	3.4
209.95648	2.1
210.03954	4.8
214.07300	2.8
215.97133	12.4
218.01715	4.2
218.06529	2.6
219.02913	2.5
220.03203	3.1
223.95175	8.7
224.05475	3.0
224.94775	60.4
225.95564	22.0
230.20764	3.2
232.03244	4.1
234.11137	7.5
235.01958	3.1
241.96225	17.1
242.06628	11.6
242.95842	75.7
243.96597	3.7
246.01190	3.2
247.96390	2.8
249.84462	2.4
250.04269	5.9
255.96558	11.0
260.07568	8.0
260.62973	5.1
269.14267	5.0
269.94611	10.4
272.98038	28.4
273.97665	100.0
278.03696	15.7
278.08527	11.8
278.98154	15.6
279.05020	10.0
287.95569	22.9
290.99039	3.1
291.98819	4.0
293.07938	3.5
295.99570	3.4
296.99304	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93832	10.4
55.93518	39.5
56.05033	3.3
58.06593	7.3
58.31075	2.3
60.04518	6.6
66.01079	2.6
70.06577	2.9
71.05761	5.6
71.92997	17.9
71.94108	2.9
72.08126	6.0
72.93781	23.9
73.94604	2.7
80.42625	2.0
82.06594	3.3
83.01320	3.3
84.04501	6.3
84.07633	2.5
84.08134	47.1
85.08501	4.4
89.03895	17.5
89.94048	3.2
90.94828	11.4
91.05473	5.6
95.01353	2.3
96.04510	4.0
98.06049	4.1
98.21040	3.9
100.04011	2.6
105.93525	2.4
108.04481	4.7
108.95808	3.2
109.02889	5.9
110.06033	5.7
111.00809	4.1
111.04433	3.0
111.96017	3.4
112.03991	2.6
112.11228	55.6
113.02379	2.9
113.07133	9.2
113.11584	8.9
113.31007	2.2
117.03374	29.4
118.03738	2.6
119.04935	10.5
120.05267	3.0
120.51097	2.3
124.03947	4.9
125.06048	2.3
126.05454	2.5
126.94785	2.7
128.07080	2.7
128.96208	2.3
129.13852	31.8
129.97147	5.3
130.08640	2.2
130.14217	4.1
133.02863	3.7
133.59677	2.3
135.04424	5.1
136.03905	5.1
138.05508	7.5
139.00266	3.5
139.02748	2.1
140.03378	2.2
142.04993	4.7
143.51346	2.3
145.02821	59.7
147.04391	13.6
148.04755	6.1
149.05965	8.0
153.01770	5.5
154.04988	5.2
155.11781	16.0
163.03908	8.1
164.03418	8.1
166.04964	4.2
167.03436	2.9
168.06584	3.6
169.01323	3.3
171.08301	2.6
171.59738	2.7
175.03958	3.7
177.05443	75.4
178.05849	3.8
182.04526	6.6
184.06096	2.7
185.04466	2.7
196.05992	3.2
197.96046	3.9
198.07593	2.4
201.05402	2.9
201.95743	2.7
202.74036	2.3
203.22406	2.6
207.06470	3.4
209.95648	2.1
210.03954	4.8
214.07300	2.8
215.97133	12.4
218.01715	4.2
218.06529	2.6
219.02913	2.5
220.03203	3.1
223.95175	8.7
224.05475	3.0
224.94775	60.4
225.95564	22.0
230.20764	3.2
232.03244	4.1
234.11137	7.5
235.01958	3.1
241.96225	17.1
242.06628	11.6
242.95842	75.7
243.96597	3.7
246.01190	3.2
247.96390	2.8
249.84462	2.4
250.04269	5.9
255.96558	11.0
260.07568	8.0
260.62973	5.1
269.14267	5.0
269.94611	10.4
272.98038	28.4
273.97665	100.0
278.03696	15.7
278.08527	11.8
278.98154	15.6
279.05020	10.0
287.95569	22.9
290.99039	3.1
291.98819	4.0
293.07938	3.5
295.99570	3.4
296.99304	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03941	2.8
55.01847	1.3
55.05255	1.6
55.05502	18.3
57.07067	10.4
65.03934	1.1
67.05496	34.4
69.07057	16.0
69.35065	4.9
69.35497	6.1
71.04980	2.0
73.38110	1.0
78.83310	1.2
79.05481	73.5
81.07047	38.6
83.04991	1.2
83.08611	7.6
85.06530	2.4
88.71333	1.2
91.05460	30.0
91.06005	2.0
93.07030	100.0
95.04958	10.2
95.08594	24.8
97.06554	1.5
97.10163	5.3
97.27575	1.2
98.20736	1.8
105.04536	1.4
105.07019	16.1
107.08576	49.5
109.06496	2.2
109.10129	12.9
117.07010	2.7
119.08573	11.7
121.10126	43.8
123.11709	2.0
128.06178	1.2
129.06961	1.1
131.08565	4.8
133.10112	13.3
135.08067	1.3
135.11670	55.2
137.13246	1.3
141.36499	1.1
143.08566	3.3
145.10126	2.7
147.11665	8.1
147.52852	1.0
149.09647	1.6
149.12045	1.2
149.13245	22.8
157.10139	2.2
159.11639	3.7
161.13281	4.9
163.11243	1.2
163.14844	4.8
171.11710	2.6
173.13264	3.0
175.11226	1.2
175.14815	3.6
177.12683	2.2
179.10628	6.1
181.12170	1.4
185.13286	3.3
189.12711	1.7
195.13693	2.3
199.14835	2.4
203.14331	1.5
207.13786	1.2
213.16380	2.4
221.15480	2.4
235.16911	23.4
241.19633	2.6
259.20523	3.7
271.24448	1.1
273.73636	1.0
277.18036	16.0
277.21622	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03930	4.5
55.05266	1.0
55.05504	14.4
57.07045	1.9
65.03909	1.9
67.05498	32.7
69.07061	17.1
71.04639	2.7
79.05483	71.6
80.17548	1.1
81.07043	35.7
83.04968	1.8
83.08611	9.7
88.56166	0.9
91.05467	28.3
93.07033	100.0
95.04967	9.2
95.08594	26.5
97.06507	2.2
97.10149	4.1
103.18185	1.0
105.04529	1.1
105.07015	15.9
107.08581	52.3
109.06503	2.5
109.10152	16.3
111.08092	1.8
117.06995	3.6
119.08556	10.8
121.06516	1.0
121.10126	41.1
123.08057	2.0
123.11677	2.9
129.07002	1.3
131.08557	4.0
133.10104	11.7
135.07996	1.2
135.11670	59.8
143.08504	2.1
145.10130	3.9
147.11673	7.5
149.09583	1.6
149.13232	27.1
151.11243	1.2
153.09178	1.5
157.10107	1.6
159.11687	2.9
161.13228	4.4
163.11124	1.4
163.14781	7.3
171.11635	2.5
173.13281	2.2
175.11182	1.3
175.14772	2.5
177.12700	1.7
180.95714	1.0
185.13211	3.1
199.14751	1.5
207.13785	1.7
217.15813	1.1
221.15329	3.7
231.17523	1.2
235.16904	4.2
241.19478	2.0
259.20502	4.2
277.21588	72.9
278.21857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.00384	1.0
51.66785	1.1
53.03930	3.5
55.01854	1.4
55.05263	1.4
55.05505	19.6
57.03430	8.9
57.07067	2.2
65.03928	1.2
65.26278	1.1
67.05499	35.3
69.07058	17.3
71.04980	2.8
71.11444	2.2
79.05486	67.8
81.07050	45.1
83.04971	2.9
83.08615	10.1
85.06555	2.5
91.04887	1.9
91.05465	31.8
91.26890	1.1
93.07034	100.0
95.04961	9.1
95.08595	36.1
97.06510	3.4
97.10155	5.6
99.08086	1.5
102.60593	1.4
105.04479	1.9
105.07016	18.0
107.08585	56.4
109.06487	4.0
109.10142	15.9
111.08041	1.3
117.06979	5.4
119.08578	14.6
121.06497	1.6
121.10131	51.6
123.08020	2.6
123.11671	4.6
123.55526	1.2
129.07042	1.9
131.08543	6.8
133.10133	14.1
135.07941	1.2
135.11679	51.8
137.09570	2.9
139.11269	1.2
143.08534	1.7
145.10126	6.9
147.11685	9.3
149.09660	2.7
149.13255	22.4
151.11160	2.7
157.10062	2.2
159.11661	4.8
161.13222	5.0
163.11128	3.0
163.14775	6.6
165.12712	2.1
167.10637	2.0
171.11658	3.4
173.13179	2.4
175.14798	4.7
177.12726	1.3
177.16386	2.1
179.14351	1.5
185.13254	3.3
187.14767	5.4
193.12395	1.1
195.13823	1.4
199.14821	1.9
203.14366	1.3
205.15860	4.7
207.13773	3.1
213.16301	2.2
221.15422	2.1
221.19043	2.1
235.16960	4.4
241.19499	3.2
259.20502	8.8
277.21597	80.4
278.22076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03928	4.4
55.05305	1.4
55.05506	15.8
55.10249	1.2
57.07071	18.3
65.03938	1.1
67.05499	38.0
69.07067	18.1
69.42995	2.3
69.43394	10.3
69.72733	1.3
71.04984	1.8
72.18548	1.2
74.52565	1.2
79.05485	74.7
81.07047	41.7
82.72180	1.3
83.04965	2.0
83.08607	9.1
85.06531	2.6
91.05472	28.2
92.05791	1.8
93.07033	100.0
95.04956	12.7
95.08594	25.9
97.06512	2.4
97.10142	4.8
98.20698	1.5
105.04449	2.0
105.07007	15.4
107.08582	51.6
109.06506	4.1
109.10146	13.9
117.06982	3.8
119.08563	11.1
121.09299	2.6
121.10129	37.9
123.04395	2.0
123.11717	3.2
129.06998	2.4
131.08568	3.1
133.10118	12.0
135.08052	2.0
135.11670	49.1
137.13159	1.5
143.08536	2.7
145.10135	4.6
147.11687	6.2
149.09613	2.3
149.13248	24.3
153.76538	1.3
154.07539	1.3
157.10130	2.3
159.11707	2.8
161.09453	1.4
161.13239	3.8
163.11137	2.4
163.14806	5.8
171.11714	3.1
173.13115	1.5
175.11284	1.8
175.14810	3.1
179.10663	9.1
185.13202	2.6
189.12756	2.4
195.13858	2.8
199.37173	1.5
207.13789	1.6
213.16350	2.6
221.15294	2.4
231.20929	1.4
235.16908	37.2
241.19713	1.7
259.20557	3.6
277.17972	26.0
277.21579	61.3
278.21896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	3.3
55.01870	4.4
55.05507	38.3
56.96553	8.1
57.07070	13.4
58.06585	6.9
67.05499	35.0
69.03419	14.8
69.07060	26.7
69.92712	15.5
71.04982	11.6
72.08146	9.6
79.05478	32.2
81.03419	6.6
81.07051	71.4
83.04978	15.3
83.08602	19.3
84.08139	25.3
85.06527	13.6
91.05483	21.2
93.07030	63.6
95.04956	8.5
95.08598	47.1
96.63216	2.6
97.06529	6.7
97.10166	6.0
103.07559	3.2
105.07018	32.7
107.04976	3.6
107.08583	49.7
109.06547	17.1
109.10147	48.9
111.08089	11.7
111.21124	2.6
112.11227	41.0
113.09641	19.2
116.98605	2.8
117.06973	3.7
119.08557	38.0
121.02860	5.3
121.06493	5.6
121.10125	67.0
123.08071	11.4
123.11698	23.2
125.09633	9.7
129.07062	3.3
129.13884	26.3
131.08571	6.7
133.06496	4.2
133.10103	43.4
135.08075	8.0
135.11685	36.2
137.09610	23.2
139.11172	10.5
145.02850	9.1
145.10097	14.4
147.08026	4.5
147.11674	17.1
149.02330	100.0
149.03481	6.1
149.09615	11.7
149.13258	15.0
151.11157	42.0
155.11792	9.2
157.10083	4.9
159.11736	9.9
161.05968	4.0
161.09683	4.5
161.13246	14.0
163.03957	11.2
163.11140	5.0
163.14857	4.2
164.07082	3.0
165.03622	3.0
165.12726	5.7
171.11684	5.6
173.13263	3.6
175.11188	6.6
175.14789	28.4
177.05493	8.5
185.13316	8.0
189.12738	6.1
191.14378	2.9
193.15907	7.1
199.14833	4.3
201.05470	7.0
201.16396	12.9
203.14325	9.7
203.22412	4.2
206.61478	3.5
219.17564	4.9
231.09009	6.6
234.98988	6.4
235.16931	10.3
240.61504	3.2
241.19473	5.6
259.20605	19.4
260.12875	18.2
260.63071	6.7
268.64169	6.2
277.03250	5.5
277.15036	4.0
277.18048	12.4
277.21588	85.0
277.24808	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	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02357	1.3
53.03930	4.7
54.75700	0.9
55.01839	1.8
55.05259	1.2
55.05505	16.4
56.51802	1.1
56.96551	1.9
57.07076	5.9
65.03922	1.2
67.05496	39.0
69.07059	17.5
69.40642	11.1
71.04984	1.7
71.08604	1.4
72.08130	1.1
76.45446	1.0
77.42506	1.1
79.05485	69.6
81.06572	2.2
81.07047	43.6
82.42879	1.0
83.04960	3.2
83.08604	9.6
84.08128	2.7
85.06544	2.7
89.50794	1.1
91.05470	30.5
93.07034	100.0
95.04967	10.4
95.08596	27.1
97.06525	1.5
97.10140	3.4
98.21476	2.4
99.05418	1.1
102.18703	1.0
105.07021	17.1
107.08582	54.4
109.06509	3.1
109.10144	14.7
111.08076	1.3
111.16774	1.0
112.11254	2.0
117.07015	4.6
119.08556	11.7
121.10136	42.7
121.27003	1.1
123.11697	4.8
129.07004	2.7
131.08548	4.6
133.10126	12.0
133.58658	1.2
135.11676	48.6
142.29872	1.0
143.08511	2.2
145.10094	4.0
147.11667	7.6
149.02272	1.4
149.13249	22.5
151.11235	1.6
153.09099	1.5
157.10094	2.5
159.11642	3.3
161.09561	1.3
161.13234	3.4
163.11172	2.3
163.14824	6.2
171.11690	3.7
171.19371	1.3
173.13239	1.6
175.11140	2.4
175.14838	3.0
177.12779	1.8
179.10588	2.1
181.12106	2.7
185.13237	2.2
193.08578	1.2
195.13690	1.5
197.79044	1.2
207.13802	3.3
213.16333	2.6
215.44489	1.2
221.15373	3.4
235.13287	1.4
235.16899	7.3
259.20609	4.2
261.22089	1.3
277.03226	1.3
277.13541	1.9
277.18079	5.4
277.21585	70.2
278.22006	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03932	4.4
53.47886	1.2
55.01860	1.6
55.05509	16.6
57.07079	2.8
64.19042	1.3
65.03922	1.4
66.02074	1.2
67.05162	1.9
67.05502	28.2
69.07062	16.1
70.32405	2.4
70.32785	3.0
79.05488	69.5
81.07052	33.9
82.48335	1.2
83.04964	1.3
83.08601	6.1
85.06548	1.7
91.05471	28.9
93.07039	100.0
95.04947	8.9
95.08602	20.5
97.06512	1.4
97.10141	4.1
105.07025	14.8
107.08587	50.6
109.06523	2.4
109.10136	11.6
117.06972	2.2
119.08588	11.8
119.79450	1.4
121.10135	40.9
121.11015	2.0
123.08071	1.5
123.11709	3.4
131.08527	4.8
133.10121	12.2
135.11682	45.2
145.10107	3.0
147.11694	6.9
149.13257	18.5
159.11658	2.9
161.13220	3.7
163.11174	1.2
163.14780	5.7
171.11623	2.1
175.14825	1.5
177.12851	1.3
188.55103	1.5
195.13678	1.4
199.14848	1.4
221.15375	2.6
235.16920	3.2
259.20578	4.1
277.21603	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.55936	1.9
53.03928	5.7
55.05505	20.1
56.96550	4.2
57.03408	1.9
57.07063	25.6
67.05498	40.3
69.03413	3.0
69.07050	17.4
70.06591	3.6
71.04969	3.1
71.08626	2.4
71.48691	3.1
72.08150	3.1
79.05482	75.0
81.03393	2.2
81.07047	37.4
83.08601	10.9
84.08123	6.7
85.06506	2.0
91.05465	35.8
93.07028	100.0
94.95749	1.7
95.04955	10.1
95.08591	28.4
96.91312	1.6
97.06511	2.7
97.10170	3.4
105.07005	15.1
106.07278	2.4
107.08579	50.2
109.06493	3.3
109.10135	13.1
111.08022	1.8
112.11227	8.8
117.06985	3.5
119.08570	13.6
120.08888	2.5
121.10120	42.2
123.08045	3.1
123.11640	2.8
125.09616	1.9
129.06996	3.3
129.13852	4.8
131.08502	5.0
133.10133	11.8
134.99588	2.4
135.08073	3.1
135.11668	44.3
143.08543	2.8
145.10120	4.5
146.97453	1.9
147.11644	5.7
149.09590	2.7
149.13243	21.2
155.11699	2.1
157.10141	2.3
159.11632	2.7
161.13196	5.6
163.03880	2.0
163.14835	4.8
171.11734	4.2
173.13239	3.2
175.11157	2.4
177.05475	2.1
179.10640	13.6
194.36095	1.8
195.11874	1.7
195.13770	3.4
207.11879	2.1
217.15854	2.3
217.52261	2.0
219.13846	2.3
221.15337	4.9
231.09171	1.8
235.14667	3.4
235.16899	49.1
241.64064	1.6
259.02448	2.3
259.20584	3.8
260.12747	3.8
268.64008	3.6
277.03369	2.8
277.17972	32.9
277.21548	64.4
277.28137	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1956
Annotation	MGK 264
Peak:m/z	Relative Intensity
54.44975	0.3
55.05498	1.8
56.96549	0.8
57.03425	0.7
59.04734	0.4
59.04997	3.8
62.79720	0.3
69.07049	0.4
70.77232	0.8
70.77592	0.4
72.08143	0.3
73.06535	0.5
79.05466	0.4
81.07030	0.6
83.84975	0.3
84.08119	0.9
91.05458	0.6
93.07037	0.5
95.08581	0.5
101.06001	1.8
102.52309	0.3
105.07011	0.9
107.08578	0.3
112.11216	1.1
114.03542	0.3
116.98600	0.3
118.06526	15.2
119.07367	0.6
119.08569	0.4
121.10146	0.4
129.13849	0.5
131.08508	0.6
132.08061	4.9
133.08852	2.7
133.10027	0.6
134.09624	1.1
135.39255	0.3
146.09602	4.5
147.10448	0.6
148.11053	0.3
160.11197	0.6
163.03816	0.4
167.61292	0.3
176.14320	66.8
177.14661	1.4
177.40691	0.3
183.50041	0.3
216.17593	0.4
218.11702	0.5
232.13335	0.5
233.14247	0.4
260.12778	1.0
276.19537	100.0
277.03317	0.4
277.19763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0317
Annotation	selenoneine
Peak:m/z	Relative Intensity
56.96547	12.2
71.20712	12.9
85.02845	8.3
98.97570	13.1
101.00871	22.2
116.98578	9.8
119.01904	66.5
120.01213	6.6
131.01866	19.1
135.70102	6.2
137.02951	7.0
143.01862	17.2
145.03410	13.3
145.94778	6.8
155.01852	10.1
161.02937	80.8
173.02927	21.6
175.04343	12.1
185.02933	18.0
187.03868	12.1
197.02979	8.3
203.03511	10.4
205.05547	10.1
213.01768	10.2
231.02795	32.3
237.02727	9.6
241.01314	8.9
245.04938	15.5
259.02405	34.3
277.03317	100.0
277.07532	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45822	0.4
59.14046	0.5
62.96065	0.5
69.56285	3.7
73.35310	0.4
75.61045	0.5
109.46272	0.5
115.03775	0.6
277.08899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
55.05502	19.1
57.07070	10.4
67.05162	2.5
67.05497	28.1
67.39331	1.1
69.07057	15.1
70.11118	3.9
70.11527	1.9
71.04990	2.3
71.08625	1.5
71.48495	1.1
73.10135	1.1
79.05481	73.5
81.07047	36.5
83.04971	2.2
83.08578	7.9
86.21773	1.1
91.05471	26.5
93.07033	100.0
95.04946	9.5
95.08596	29.3
95.21057	1.2
97.06477	2.2
97.10120	2.2
105.04553	1.3
105.07021	15.9
107.08581	53.0
109.06516	4.3
109.10142	10.2
110.49092	1.4
111.08065	1.8
117.07047	3.7
119.08558	10.9
121.10126	40.7
123.11719	4.1
129.07005	4.0
131.08530	4.3
133.10107	7.2
135.08080	1.4
135.11671	41.8
137.13164	1.2
143.08554	2.2
145.10107	3.3
147.11685	6.7
149.13243	26.3
157.10213	1.7
159.11670	2.3
161.13249	4.8
163.11115	1.7
163.14793	6.7
171.11693	3.6
173.13300	1.9
175.14833	3.6
177.12665	3.0
179.10695	5.7
185.13304	3.8
189.12697	1.7
193.12186	2.0
195.13788	1.9
206.81592	1.2
207.13763	3.5
213.16347	1.3
221.15373	4.5
231.17657	1.6
235.16885	24.8
241.19478	3.5
253.01538	1.2
259.20572	4.1
266.55237	1.6
277.18051	21.9
277.21631	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01859	1.4
55.05505	10.9
55.21201	0.8
57.03440	6.0
57.07057	2.5
58.03105	0.7
65.03930	1.1
65.21841	0.7
67.05494	11.6
69.07066	8.8
69.92842	4.6
70.06583	3.0
71.04969	1.2
71.06898	1.3
73.06551	0.8
79.05485	12.9
81.07049	12.7
83.04983	1.1
83.08605	5.5
84.07259	0.8
85.06528	1.6
88.07626	4.3
89.07949	1.4
91.05466	34.4
93.07033	12.8
95.04948	1.7
95.08590	10.8
97.10161	1.4
101.06004	0.9
102.09160	1.1
103.05431	1.4
105.07022	45.7
106.08645	2.6
107.08556	6.8
109.06480	2.1
109.10162	4.6
111.08117	0.8
117.06993	10.8
119.08566	38.0
121.06522	1.9
121.10120	3.4
129.06984	2.9
131.08545	11.7
133.10109	22.9
135.11656	1.5
143.08537	2.8
144.34676	0.8
145.10095	10.1
147.11671	25.7
149.09595	3.4
152.55411	0.8
155.08560	1.2
157.10081	3.5
159.11678	13.6
161.13251	6.6
163.11162	2.6
167.10530	0.8
169.10124	1.9
171.11716	1.8
173.13264	3.8
175.14803	1.8
177.12674	0.8
183.11688	1.9
185.13197	6.9
187.11034	0.9
197.13200	2.2
201.12918	1.1
201.16351	1.3
203.14253	4.2
219.17249	1.9
229.15996	0.8
238.75742	0.7
238.78188	0.9
239.17796	4.5
249.91942	0.7
253.40245	0.8
257.18976	7.6
257.26678	2.8
269.52591	1.0
273.20035	0.8
275.20032	100.0
275.27728	32.7
276.20438	3.2
282.01532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	2.6
55.01851	3.0
55.05267	1.2
55.05505	14.9
56.43734	0.8
57.03414	1.4
57.07050	2.0
58.58746	0.8
61.50647	0.7
65.03913	1.2
67.05494	19.1
69.03406	1.1
69.07059	10.3
69.82064	4.6
71.04974	1.7
73.06513	0.9
79.05484	20.5
81.06579	1.2
81.07044	20.2
83.04962	2.4
83.08621	6.9
85.06519	1.6
89.88763	0.8
91.05471	43.7
93.06464	1.4
93.07030	19.8
95.04970	4.7
95.08595	13.3
97.06495	3.1
97.10139	2.4
98.21443	1.7
103.05432	1.9
105.07017	60.4
107.04911	3.4
107.08569	14.5
109.06511	3.9
109.10130	5.7
111.08066	1.6
116.68113	0.8
117.07001	13.1
119.08566	36.3
121.06473	3.2
121.10126	8.3
123.08028	1.9
123.11678	1.3
125.09588	1.2
125.43824	0.9
128.06226	0.9
129.06984	3.1
131.08554	15.2
133.06516	1.1
133.10110	34.6
135.08023	3.4
135.11658	3.2
137.09570	2.5
143.08571	1.9
145.10103	15.4
146.97433	0.9
147.08046	1.2
147.10500	1.2
147.11670	24.0
149.09612	5.7
149.13263	1.7
151.11226	1.5
155.08592	1.6
156.06477	0.9
157.10100	2.7
159.11670	8.8
161.09625	1.4
161.13245	5.9
163.11115	4.0
165.09085	1.0
168.99666	0.8
169.10104	2.3
171.11632	2.2
173.13240	5.7
175.11209	1.5
183.11618	2.0
185.13188	0.9
187.11208	1.7
187.14801	1.0
197.13234	2.0
199.14806	0.9
201.12782	1.5
215.17921	0.9
229.19576	1.3
239.17932	3.3
247.20522	2.5
257.18961	7.7
275.20026	100.0
276.20428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.98053	1.7
53.03920	4.4
55.01663	1.8
55.01865	20.1
55.05510	28.3
57.03424	4.8
59.05005	2.3
60.41304	2.2
67.05496	44.0
69.07057	14.6
69.48251	10.4
69.48673	6.9
71.04978	3.8
79.05059	3.5
79.05488	53.6
81.03390	2.4
81.07051	41.9
83.04975	5.4
83.08595	8.1
83.45303	1.8
85.06573	2.0
91.05476	56.4
93.07042	31.4
95.04935	6.5
95.08591	17.8
97.06535	20.1
97.10166	4.0
103.05441	3.7
105.07017	58.7
107.04282	3.1
107.04945	32.3
107.08574	33.0
109.06503	9.9
109.10120	17.8
111.08054	4.5
115.05459	2.4
116.12931	2.1
117.06973	16.3
119.08574	39.9
120.52741	2.0
121.06495	5.1
121.10110	15.8
123.08020	2.6
123.11671	2.3
125.09589	4.9
129.06987	2.9
131.08563	17.5
133.10117	39.3
135.08008	6.3
135.11630	5.7
137.09621	4.1
143.64914	2.3
145.10106	15.0
147.07964	3.2
147.11655	24.2
149.09599	51.0
149.13214	2.5
153.09035	3.8
155.08469	2.1
159.11673	9.4
161.13237	7.0
163.11186	3.1
165.08987	3.4
169.10091	3.0
171.11633	4.3
173.11827	3.6
173.13258	8.8
175.11095	4.0
183.11711	4.1
187.11090	2.5
187.13350	2.4
197.13329	2.9
214.19395	2.0
229.19499	9.6
239.17862	5.4
247.20653	3.8
257.18958	15.9
275.20023	100.0
276.20215	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	2.0
55.01866	2.1
55.05506	13.0
57.03420	2.6
57.07061	1.1
61.09916	0.9
65.03925	1.8
67.05164	1.6
67.05499	16.3
69.03426	1.2
69.07063	9.2
70.12301	4.7
71.04978	2.7
79.05486	18.1
81.07050	23.3
83.04975	2.1
83.08629	5.6
85.06540	1.9
91.05476	36.4
93.07031	17.4
95.04962	3.4
95.08600	11.6
97.06509	2.9
97.10127	1.5
103.05479	1.6
105.07021	55.9
107.04930	4.1
107.08584	13.1
109.06499	5.8
109.10154	5.6
109.77471	1.0
111.08026	1.2
117.07001	6.8
119.08576	29.6
121.06491	3.3
121.10143	8.9
123.08039	4.4
124.13519	1.0
125.09698	1.2
129.06978	1.8
131.08560	14.0
133.10114	44.6
133.98308	1.1
135.08047	4.5
135.11673	3.7
137.09569	2.6
141.07005	1.7
143.08511	3.2
144.06291	1.2
145.10124	12.7
147.08000	1.5
147.11661	22.1
149.09593	7.8
151.11195	1.6
155.08571	1.4
157.10094	2.8
159.11699	10.9
161.13237	6.0
163.11192	1.5
169.10106	1.1
171.11710	3.2
172.72664	1.0
173.13235	5.2
175.11180	2.2
175.14746	1.4
177.12753	1.4
183.11731	3.3
185.13191	1.3
187.14890	1.7
197.13263	3.9
199.14771	1.1
201.12802	1.3
203.14253	1.6
204.07565	1.1
208.42752	1.0
229.19498	2.1
231.25195	1.1
232.38731	1.1
239.17905	4.2
247.20567	2.0
257.19003	9.0
275.20041	100.0
275.27759	2.4
276.20483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	1.1
55.01859	1.4
55.05505	10.9
55.21201	0.8
57.03440	6.0
57.07057	2.5
58.03105	0.7
65.03930	1.1
65.21841	0.7
67.05494	11.6
69.07066	8.8
69.92842	4.6
70.06583	3.0
71.04969	1.2
71.06898	1.3
73.06551	0.8
79.05485	12.9
81.07049	12.7
83.04983	1.1
83.08605	5.5
84.07259	0.8
85.06528	1.6
88.07626	4.3
89.07949	1.4
91.05466	34.4
93.07033	12.8
95.04948	1.7
95.08590	10.8
97.10161	1.4
101.06004	0.9
102.09160	1.1
103.05431	1.4
105.07022	45.7
106.08645	2.6
107.08556	6.8
109.06480	2.1
109.10162	4.6
111.08117	0.8
117.06993	10.8
119.08566	38.0
121.06522	1.9
121.10120	3.4
129.06984	2.9
131.08545	11.7
133.10109	22.9
135.11656	1.5
143.08537	2.8
144.34676	0.8
145.10095	10.1
147.11671	25.7
149.09595	3.4
152.55411	0.8
155.08560	1.2
157.10081	3.5
159.11678	13.6
161.13251	6.6
163.11162	2.6
167.10530	0.8
169.10124	1.9
171.11716	1.8
173.13264	3.8
175.14803	1.8
177.12674	0.8
183.11688	1.9
185.13197	6.9
187.11034	0.9
197.13200	2.2
201.12918	1.1
201.16351	1.3
203.14253	4.2
219.17249	1.9
229.15996	0.8
238.75742	0.7
238.78188	0.9
239.17796	4.5
249.91942	0.7
253.40245	0.8
257.18976	7.6
257.26678	2.8
269.52591	1.0
273.20035	0.8
275.20032	100.0
275.27728	32.7
276.20438	3.2
282.01532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	2.2
55.01857	1.2
55.05263	1.4
55.05505	18.6
56.65461	0.6
57.03411	1.6
60.75717	0.7
65.03926	1.0
67.05495	16.8
69.03397	0.7
69.07059	10.2
70.84559	0.9
70.84899	1.8
71.04977	2.7
73.06531	0.9
79.05480	21.0
81.06572	1.5
81.07045	22.9
83.04960	2.4
83.08594	3.5
85.06517	1.7
91.05469	57.7
92.05777	0.8
93.06461	1.3
93.07027	20.7
95.04938	3.3
95.08596	13.3
97.06526	1.6
97.10138	3.1
103.05450	2.2
105.07017	76.3
105.53507	0.7
106.07355	1.1
107.04930	3.2
107.08584	11.4
109.06497	2.5
109.10159	6.5
111.08040	1.3
115.05435	2.0
117.07000	11.7
118.07780	1.6
119.08562	38.1
120.08961	0.7
121.06452	3.4
121.10117	6.0
123.08050	1.5
123.11650	1.0
125.09660	0.9
129.06995	3.5
130.07771	1.1
131.08549	15.9
132.09279	1.2
133.06462	2.0
133.10114	53.2
134.10454	1.2
135.08006	1.2
135.11664	3.3
137.09584	2.4
141.06979	1.8
143.08528	3.2
145.10101	18.0
146.10818	1.0
146.97214	0.9
147.07996	1.6
147.11661	25.9
149.09599	9.1
149.13229	1.0
151.11105	0.8
155.08507	2.6
157.10118	5.3
159.11642	8.5
161.09619	1.2
161.13214	5.3
163.11139	2.3
165.12724	0.8
169.10129	1.7
171.11620	5.1
173.09555	0.8
173.13281	5.6
175.11180	2.2
175.14771	0.8
179.10634	0.7
183.11720	3.4
185.13301	1.5
185.74261	0.7
187.11201	1.1
189.12787	1.9
193.12309	0.9
197.13187	1.6
198.51151	0.8
201.12686	2.1
211.14819	1.2
215.14287	1.0
219.13742	1.3
229.15926	1.0
229.19496	1.0
233.15367	1.7
237.84308	0.7
239.17905	3.6
246.41586	0.7
257.18936	9.3
275.20020	100.0
276.20383	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	2.2
53.99238	0.9
55.01877	4.5
55.05259	1.2
55.05503	16.1
57.03420	1.3
63.98881	0.8
65.03913	1.3
67.05172	1.7
67.05495	22.5
67.74583	1.0
69.03423	1.0
69.07059	10.9
69.37916	8.6
71.04977	2.3
79.05482	28.5
81.07047	24.6
83.04966	5.8
83.08611	8.8
85.06504	1.1
89.02666	0.8
91.05466	44.8
93.06468	1.9
93.07031	32.3
95.04955	5.6
95.08594	19.0
97.06544	6.4
97.10152	3.1
103.05444	1.5
105.07016	60.3
106.07339	1.2
107.04934	1.8
107.08582	22.7
109.06524	4.4
109.09408	1.3
109.10134	8.8
111.08074	4.1
115.05396	1.5
117.06996	13.8
118.07833	1.0
119.08563	45.5
121.06473	4.0
121.10129	13.3
123.08032	3.6
123.11652	1.7
125.09629	3.2
129.06970	2.8
130.07799	1.4
131.08554	20.2
133.06494	2.8
133.10114	43.4
135.08029	7.1
135.11700	6.0
137.09596	5.8
141.06961	1.8
143.08537	4.3
145.09026	1.9
145.10109	21.3
147.08022	2.9
147.11667	20.3
149.09590	17.8
149.13232	1.4
151.11125	5.8
155.08521	1.8
157.10107	3.6
159.11694	11.5
161.09634	2.5
161.13188	6.5
163.11156	12.3
165.09077	1.2
165.12733	5.4
167.10693	1.1
169.10129	3.9
171.11665	5.2
173.09570	1.2
173.13243	5.9
175.11171	2.1
175.14729	1.9
177.12741	3.4
179.14268	1.7
181.09962	1.0
181.12141	1.0
183.11661	3.6
185.13293	2.1
187.11259	1.7
189.12752	2.1
191.14175	1.5
197.13297	4.8
201.12732	1.4
211.14857	1.4
213.16298	1.6
215.14369	1.7
215.17934	2.0
229.19418	5.7
233.15355	1.6
239.17932	15.0
247.20610	2.1
257.18961	17.9
275.20035	100.0
276.20358	3.3
282.95197	1.0
292.28052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
56.05017	4.1
56.96548	2.9
57.03432	1.3
60.08156	20.3
64.10546	1.4
69.03412	2.4
69.40115	1.7
70.34696	4.5
81.07032	1.3
83.06088	3.4
84.04496	98.7
84.08191	1.2
84.46326	1.2
85.02889	2.9
91.05481	2.3
95.06088	8.1
97.02881	2.8
98.21351	1.6
98.97540	2.6
113.07114	16.7
116.98579	3.0
119.01875	1.4
126.09145	100.0
126.76049	1.4
130.04990	36.8
134.99588	1.9
143.11778	10.6
152.03374	8.3
169.09692	1.8
171.11348	1.9
172.09648	4.9
189.12392	3.2
192.30664	1.7
198.03928	8.3
201.01897	1.5
202.02690	1.3
211.10797	2.2
229.11807	22.7
242.62773	1.5
243.01743	1.6
247.02409	2.9
257.02731	9.3
257.11301	6.0
261.02704	2.1
275.01660	5.6
275.03763	7.1
275.12610	6.2
275.20065	1.8
276.07431	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.20763	0.9
53.03933	2.2
55.01853	1.9
55.05511	14.7
57.07071	1.6
60.70445	1.2
65.03927	2.2
67.05164	1.5
67.05500	24.7
68.07043	0.9
69.03382	1.2
69.06722	1.3
69.07061	11.6
69.94074	5.3
70.13949	0.9
71.04972	3.2
71.06960	0.8
79.05058	1.8
79.05488	26.4
81.03425	1.3
81.06570	1.8
81.07050	25.0
83.04969	2.5
83.08597	5.2
85.06509	1.5
91.05474	51.2
93.06465	1.3
93.07034	18.9
95.04957	5.5
95.08601	14.7
97.06512	2.6
103.05472	2.6
105.07024	69.9
107.04940	3.5
107.08584	15.6
109.06493	2.7
109.10132	6.2
117.07001	12.9
119.08575	45.8
121.06483	4.0
121.10149	8.9
123.08028	2.6
123.11729	1.5
129.06995	2.4
131.08557	18.9
133.06519	2.0
133.10126	41.6
135.08034	2.9
135.11661	4.9
137.09613	3.0
141.06972	1.9
143.08557	2.5
145.10117	14.0
147.07976	1.4
147.11684	23.7
149.09613	9.0
149.13258	1.9
151.11092	1.1
155.08553	2.6
157.10062	3.3
159.08014	1.3
159.11684	9.9
161.13243	8.5
163.11191	3.3
169.10164	2.6
171.11697	4.2
173.13252	9.3
175.11176	1.2
175.14897	1.4
183.11661	2.0
187.11209	1.8
187.14771	2.3
197.13297	3.8
201.12776	1.6
215.18010	1.2
219.13858	1.6
229.19479	3.3
233.15239	1.7
239.17943	4.4
247.20529	4.1
257.18930	7.0
273.50043	1.0
275.20041	100.0
276.20432	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05503	19.0
57.07052	4.5
57.48190	5.2
67.05505	33.3
69.07069	45.1
70.77660	11.2
70.78011	6.7
79.05470	14.4
81.07063	71.5
83.08608	17.8
86.16492	5.3
91.05471	19.1
93.07050	51.5
95.08605	80.5
97.10149	11.5
105.07012	35.2
107.08593	60.2
107.37513	5.3
109.09538	6.4
109.10162	62.0
111.11702	9.3
119.08588	33.2
121.10150	59.7
123.11716	43.1
133.10098	18.8
135.11671	28.5
137.13254	10.9
147.11659	23.6
149.13249	46.2
161.13257	28.8
163.14801	23.1
175.14813	15.1
177.16353	21.8
182.31261	5.0
183.96652	4.8
189.16394	20.3
191.17967	13.8
203.17911	15.1
217.19475	29.7
273.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05724	14.4
56.11391	13.6
56.96550	35.0
71.32369	29.2
84.04489	41.8
91.05467	14.9
93.59037	14.2
98.97561	100.0
105.06985	12.8
107.48998	12.8
108.19231	12.0
116.98614	89.5
134.99638	45.0
138.83612	12.7
153.00688	13.4
153.01912	12.5
163.03871	18.0
165.00644	17.2
173.02353	16.2
177.00711	84.3
191.03311	29.9
195.01758	75.5
201.01875	17.3
219.02870	17.6
235.01305	13.0
247.02405	37.6
275.01758	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04665	0.5
50.42182	0.4
55.05494	1.6
56.64333	0.4
56.96566	0.5
58.61679	0.4
65.03915	0.6
67.01853	2.8
67.05495	1.2
68.99771	1.7
69.03416	2.1
69.07056	1.1
70.90942	1.1
74.13606	0.3
79.05466	0.6
81.07046	2.1
83.01311	0.4
85.02891	0.7
91.04959	0.6
91.05477	7.8
93.07027	1.3
95.04967	2.8
95.08598	1.6
96.58786	0.4
97.02901	1.2
98.97572	0.6
105.07006	1.3
107.04929	2.8
107.08583	1.0
109.10136	1.2
111.00777	0.6
116.98569	0.7
119.04931	18.8
119.08566	0.9
120.05205	0.5
121.06485	0.6
121.10125	1.4
123.04395	4.4
123.11720	0.6
133.10193	0.4
135.11662	0.8
143.08511	0.4
146.97488	0.4
147.04398	46.1
147.11668	0.4
148.04724	0.7
149.13190	0.6
151.03961	0.5
153.01811	100.0
154.02136	1.4
157.06502	0.5
161.13211	0.6
163.14792	0.7
171.02855	3.3
177.00665	0.4
178.97769	0.4
179.03394	0.9
189.05524	0.9
207.06512	0.6
231.06551	0.7
247.96663	0.5
255.06418	1.2
273.07544	63.3
273.13901	2.0
273.25693	1.0
274.07874	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.99718	0.4
55.01859	0.6
56.96548	0.5
59.37654	0.3
61.91365	0.3
67.01860	5.0
68.99778	3.4
69.03419	1.8
71.10874	1.0
81.03400	0.9
83.01354	0.9
85.02898	0.4
86.50843	0.3
89.07853	0.3
89.80202	0.3
91.05473	6.0
93.07077	0.4
95.04951	1.6
95.08598	0.6
97.02891	1.6
105.07044	0.5
107.04930	2.4
111.00784	0.8
114.77336	0.3
116.98589	0.5
119.04933	15.7
121.02800	0.6
121.06492	1.6
121.10183	0.5
123.04414	3.8
125.02319	0.6
129.01817	0.5
131.04955	0.3
134.99638	0.4
145.10132	0.4
146.97414	0.5
147.04393	40.5
148.04700	0.5
149.05992	0.5
151.03896	0.8
153.01810	100.0
154.02144	1.0
157.06520	0.5
161.05972	0.5
169.99033	0.7
171.02873	24.3
175.07521	0.6
179.03403	1.1
181.06477	0.6
185.05954	0.6
189.05495	1.1
191.14432	0.4
203.16730	0.3
207.06421	0.4
213.05409	0.8
231.06496	13.0
241.08534	0.4
255.06535	0.5
273.07535	77.0
274.07867	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	273.2209
Annotation	5a-Androst-3-en-17-one
Peak:m/z	Relative Intensity
50.23407	3.8
52.38486	3.7
55.05497	5.3
56.05026	7.7
60.36684	4.3
62.41906	3.9
63.71311	3.4
66.28455	3.5
67.05492	22.3
69.95329	24.7
75.49404	3.5
79.05470	17.5
81.07046	17.8
81.42759	4.5
91.05456	18.5
93.07048	34.4
95.04961	3.4
95.06049	7.3
95.08601	43.4
97.07642	4.9
105.07012	32.1
106.56762	4.0
107.08597	21.5
109.10136	13.3
110.07174	6.2
117.07008	11.3
119.08575	17.4
121.10124	9.2
122.07156	9.7
124.08698	5.4
131.08551	21.6
133.10110	23.6
135.11633	8.1
143.08551	5.6
145.10123	25.8
147.11662	35.4
148.08704	5.8
157.10170	7.7
159.11682	65.7
161.13243	14.7
171.11662	5.5
173.13235	16.8
185.13264	6.3
187.14803	7.1
199.14848	8.4
213.16302	9.2
233.62874	4.1
255.21074	100.0
273.22144	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1125
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
55.01860	1.8
56.96554	5.0
57.03411	3.3
61.02914	6.2
65.03926	3.0
69.03413	5.9
70.06585	3.9
70.21285	7.5
72.08144	1.9
73.02921	3.5
79.05498	1.6
81.03387	3.1
85.02891	22.6
92.04983	8.4
94.20959	1.6
95.04985	2.2
97.02876	4.6
98.20748	2.0
98.97553	4.0
99.04465	1.9
103.03901	3.6
106.06551	11.8
109.05256	5.7
110.06030	100.0
116.98595	2.5
120.04445	3.3
122.06023	12.2
127.03912	4.2
134.05998	26.5
134.99699	2.7
146.05983	4.9
147.04465	1.9
148.07562	1.7
152.07050	11.7
164.07085	3.0
176.07069	6.8
206.22246	1.6
236.09129	5.0
254.10277	7.6
272.11246	4.4
272.17200	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	272.1125
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
55.01854	0.3
56.14655	0.3
56.74154	0.3
56.96547	0.7
57.03416	0.9
61.02915	1.4
65.03926	4.2
69.03419	2.8
69.77337	2.0
69.77728	0.6
69.81316	0.3
73.02905	0.9
76.92689	0.3
80.05004	1.2
81.03421	1.0
85.02892	8.8
87.04443	0.9
92.04993	52.5
92.24434	0.4
93.05783	4.3
94.06557	8.0
97.02866	2.4
98.97594	0.6
99.04455	0.6
101.02372	0.4
103.03896	0.5
109.02931	0.7
110.06028	100.0
111.06380	0.6
119.01822	0.4
127.03915	1.9
145.04919	0.8
152.07027	2.1
153.05766	1.0
154.84628	0.3
162.06311	0.9
163.04413	1.0
176.07040	0.6
177.04199	0.4
178.04962	1.1
184.04947	0.5
212.09109	0.6
254.10216	3.1
272.11258	29.3
273.11789	0.4
274.69336	0.4
282.49719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1897
Annotation	3-Methoxyestra-1,3,5(10),16-tetraene
Peak:m/z	Relative Intensity
53.03937	4.5
55.05506	9.4
56.96553	4.0
57.03437	3.0
57.07065	4.9
64.62599	1.7
67.05501	15.4
69.07056	9.8
79.05489	32.1
81.03417	10.8
81.07045	28.9
83.04948	3.6
83.08605	9.3
84.08133	3.7
91.05476	11.0
93.07034	14.2
95.04950	16.2
95.08609	14.9
97.06538	3.7
97.10135	1.9
104.99255	3.3
105.07024	19.3
105.08595	1.9
107.04946	50.7
107.08566	10.4
109.06498	34.8
109.10146	9.5
112.11282	1.8
115.05447	1.9
117.07044	3.8
119.08561	26.4
119.33803	1.8
121.06501	6.8
121.10132	27.4
123.08073	1.8
123.11716	5.2
128.06195	1.9
129.06960	6.7
131.04944	2.0
131.08562	13.8
133.06487	6.6
133.10107	14.3
135.08061	4.2
135.11679	4.5
136.12622	1.7
137.13223	2.7
142.07776	2.2
142.46426	1.8
143.08539	9.9
143.61134	2.1
144.09300	2.4
145.06448	11.2
145.10133	8.3
147.08044	8.8
147.11687	5.9
149.09596	25.7
149.13235	4.5
155.08583	5.2
156.09236	3.8
157.06444	3.4
157.10126	11.3
159.08049	8.6
159.11655	14.9
161.09631	9.6
161.13222	27.7
163.11212	2.1
169.10080	3.5
170.10851	4.3
171.08051	5.2
171.11656	8.2
173.09607	6.2
173.13223	12.1
175.11169	6.7
175.14827	4.7
177.09084	10.5
180.09290	2.1
181.10155	2.6
183.08003	3.2
183.11659	5.1
185.09575	13.6
185.13260	7.7
187.11137	4.7
187.14813	13.8
191.10724	2.3
195.11720	6.9
197.13208	3.1
198.10460	2.6
199.11151	12.1
199.14784	4.0
209.11719	5.9
209.13394	4.3
211.11044	2.7
211.14787	3.0
213.12709	28.5
213.16124	2.5
225.16260	3.9
226.13518	3.8
227.14371	14.4
229.28232	2.6
237.11320	2.8
241.19511	6.7
251.17961	6.2
269.18997	100.0
270.19260	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	270.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	12.8
59.04977	16.3
61.02911	5.3
68.04969	4.3
69.07028	6.6
69.76894	4.4
70.57433	10.0
70.57765	7.9
73.06489	4.9
75.04466	9.2
75.30283	4.4
85.02878	9.4
87.04453	33.3
95.04943	5.4
98.20849	7.3
98.97581	6.6
102.51804	4.1
103.03919	13.9
104.43222	4.8
114.83394	4.6
127.03918	5.9
131.03369	12.8
132.08084	5.4
134.99649	4.4
136.78702	4.3
148.62006	4.5
161.04439	33.7
206.11758	5.3
217.03395	100.0
235.04480	17.3
235.06911	5.1
261.63116	5.2
270.13403	10.2
270.27750	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	271.1438
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05478	0.6
55.22338	0.5
55.24974	0.5
58.52322	0.5
58.52613	0.5
67.05467	0.7
69.07011	0.6
69.94822	2.0
72.79816	0.4
79.05425	0.6
81.07030	1.0
83.04927	0.6
83.08563	0.4
91.05425	1.2
94.06517	0.6
95.08562	1.0
96.08083	0.5
105.06993	0.5
106.06479	0.6
107.08527	0.8
108.08097	0.7
109.10078	0.9
118.06477	1.7
119.07285	0.6
120.08049	1.1
124.07527	1.3
129.07088	0.4
133.09999	0.6
141.06979	0.6
142.07712	0.5
144.08005	1.1
145.10065	0.9
145.14287	0.4
148.07481	1.0
153.06970	0.4
154.06458	0.6
155.08557	0.7
156.08073	0.9
156.09288	1.0
157.10085	1.3
158.05952	1.7
158.09654	0.6
159.07932	1.2
159.09131	2.4
160.07515	0.5
163.03822	0.5
164.77545	0.5
168.08084	6.4
169.08849	2.4
170.09575	0.7
174.86479	0.4
182.09608	3.3
183.10414	10.8
184.09854	1.4
185.10722	0.8
186.05513	1.1
198.07793	0.9
198.11270	0.5
198.12775	5.9
199.08688	2.1
199.12323	1.1
210.09146	1.1
210.11409	0.5
211.09860	1.3
212.09450	3.3
213.10191	4.7
214.10867	1.0
215.15369	1.8
221.00641	0.5
226.12311	7.4
227.08061	1.9
227.11758	25.4
228.12527	21.3
229.13373	0.5
240.08841	2.0
241.09703	1.7
241.13304	1.1
243.11089	0.6
243.14893	12.8
253.13428	0.7
255.11244	62.3
256.12024	61.1
257.12274	0.8
269.12799	2.5
271.06018	2.1
271.14374	100.0
272.14716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03925	3.9
55.01857	4.6
55.05507	23.0
57.03144	2.0
57.03432	40.8
57.07059	7.1
61.64078	1.2
63.93988	1.2
64.38377	1.2
65.03919	3.5
65.66791	1.4
67.05498	78.8
69.06715	2.2
69.07059	33.2
70.77587	1.6
70.77920	2.4
71.04989	7.4
71.08641	1.4
72.08145	1.3
79.05485	46.7
81.03416	2.0
81.07048	100.0
83.04980	9.5
83.08607	20.7
84.08099	1.6
85.06531	6.2
91.05475	18.9
93.07034	72.5
95.04960	8.4
95.08598	27.7
97.06532	16.0
97.10140	3.6
99.08070	5.5
105.07034	10.9
107.08588	37.3
109.06504	3.3
109.10143	4.7
111.08057	10.2
113.09628	2.0
116.98633	1.4
117.07024	8.7
119.08560	4.3
121.06454	2.3
121.10125	24.5
123.11707	3.9
129.13835	1.4
131.08519	10.0
133.10127	12.5
135.07983	2.8
135.11697	8.6
139.11147	2.4
144.09303	1.5
145.02739	1.4
147.11671	2.0
149.09471	1.8
149.13245	50.7
159.11674	17.2
167.14333	1.5
177.12726	10.0
195.13773	9.6
260.62897	1.4
269.17416	40.1
269.22385	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.90873	1.6
53.03936	4.1
55.01860	3.9
55.05508	20.6
56.96552	5.5
57.03435	29.0
57.07057	7.9
58.06559	1.9
59.04982	1.9
59.63111	1.6
60.92960	1.8
67.05501	72.0
69.03421	4.4
69.07062	35.4
69.55462	1.9
70.13537	9.2
71.04975	6.6
71.08635	2.9
72.08139	4.9
79.05494	47.0
80.71870	1.5
81.03413	3.5
81.07052	100.0
83.04970	9.1
83.08619	20.0
84.08135	9.9
85.06529	6.8
91.05479	24.2
93.07041	64.2
95.04981	8.6
95.08031	2.8
95.08603	30.5
97.06543	15.8
97.10176	4.1
98.21436	1.8
99.08052	3.1
105.07028	12.8
107.08595	37.4
109.06512	4.2
109.10131	9.5
111.08091	9.9
112.11231	6.0
113.06001	2.2
116.98569	3.4
117.07001	7.6
119.08553	4.1
120.08822	1.7
121.06547	2.4
121.10126	23.5
123.08090	2.0
123.11747	2.7
125.09617	1.9
129.07036	2.3
129.13885	2.1
130.81831	1.6
131.08560	10.1
133.10153	13.1
133.61807	1.8
134.99698	2.2
135.08101	2.4
135.11650	11.3
139.11169	2.9
140.59225	1.9
143.08563	3.0
145.10120	4.0
148.94189	1.7
149.13251	42.1
157.10109	3.3
159.11700	22.9
161.13191	2.9
171.11638	4.1
173.13275	2.3
177.12712	9.0
178.68890	1.6
187.14870	2.1
195.13873	9.8
199.14857	2.0
213.16425	4.3
222.69998	1.9
227.17876	2.5
244.67502	2.0
255.56618	1.9
260.12836	3.3
260.62723	3.8
268.61411	1.9
269.12799	3.1
269.17258	33.0
269.22318	11.2
270.17993	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03711	0.7
53.03943	2.7
54.23098	0.6
55.01882	3.6
55.05509	25.9
56.96572	3.6
57.03435	35.5
57.07068	6.8
61.02950	0.6
65.03944	2.7
67.05501	79.0
69.03428	2.5
69.07064	33.5
69.67297	4.3
71.04988	7.2
71.08636	1.1
72.08160	1.4
73.02904	1.5
78.71558	0.6
79.05490	47.4
81.03407	2.4
81.07053	100.0
82.06593	0.7
83.04972	9.7
83.08617	22.9
84.08147	4.9
84.52415	0.8
85.02907	1.0
85.06532	6.9
88.91470	0.9
89.03929	0.6
89.88483	0.7
91.04900	0.6
91.05473	26.3
93.07037	70.9
95.04969	8.3
95.08603	29.1
97.02888	0.8
97.06530	15.8
97.10167	3.0
98.20738	1.4
98.97576	2.2
99.08075	5.4
100.11258	3.7
105.04549	1.0
105.07027	11.8
107.08586	40.7
109.06511	3.6
109.10144	7.4
111.08064	9.5
111.11694	1.3
112.11243	2.8
113.06000	1.2
113.09621	1.7
115.05499	0.8
116.98612	3.4
117.06998	11.0
119.08594	5.2
121.06538	1.6
121.10136	23.7
123.08060	1.0
123.11684	3.9
125.09600	1.3
129.13853	1.0
131.08549	12.6
133.10136	11.4
134.99632	2.0
135.08073	3.4
135.11681	10.8
139.11162	3.1
140.14340	1.2
142.07779	1.4
143.08553	2.4
145.02875	1.3
145.10115	3.1
147.11697	3.2
149.09610	1.7
149.13248	45.0
150.96867	0.9
151.11224	1.9
155.11792	1.0
156.09323	1.2
157.10117	5.5
159.11678	22.3
161.13248	1.0
167.10832	0.8
167.14302	1.4
168.13748	1.1
171.11676	2.4
173.13330	0.8
177.00668	1.6
177.05455	2.4
177.12759	9.8
185.13232	2.5
185.16463	2.3
187.14864	1.0
188.09476	1.0
189.99771	1.0
191.97778	2.2
195.13782	12.2
197.09947	1.0
199.14793	2.7
208.00964	1.1
213.16386	2.9
227.17830	0.9
238.09764	0.8
243.09053	1.9
251.17883	0.7
260.12552	1.5
260.63293	0.7
261.10086	1.1
269.12555	7.0
269.17444	35.0
269.22241	9.2
269.62399	2.4
270.17606	1.1
287.11642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	2.9
55.01881	4.9
55.05507	20.1
56.96565	1.4
57.02242	0.8
57.03432	36.1
57.07071	5.0
65.03931	2.3
65.40586	0.7
67.05499	79.5
69.03405	1.3
69.07061	32.1
70.11494	3.4
71.01359	0.9
71.04992	6.8
71.08615	1.0
72.08186	0.8
73.02906	1.7
79.05486	49.8
81.03405	2.2
81.07050	100.0
82.07416	0.8
83.04972	10.5
83.08612	17.8
84.08149	2.2
85.06525	6.8
91.05471	22.5
93.07037	74.2
95.04955	10.0
95.08595	24.9
97.06524	14.5
97.10147	2.3
98.97591	3.0
99.04446	0.7
99.08092	5.7
102.40482	0.7
105.04478	1.0
105.07027	9.8
107.08588	41.1
109.06520	3.1
109.10151	5.0
111.08083	7.7
111.11707	1.7
112.11243	1.2
113.09627	1.0
116.98615	1.7
117.07029	8.9
119.08556	3.7
121.06471	1.5
121.10137	24.6
121.11015	1.2
123.04527	0.8
123.08077	0.9
123.11723	3.7
125.09574	1.0
131.08569	10.1
133.10130	8.3
134.99669	0.9
135.08025	2.3
135.11682	10.4
139.07484	0.9
139.11171	2.6
147.11642	2.3
147.30226	0.7
149.13245	50.8
151.11128	1.4
157.10110	2.5
158.99687	0.8
159.10443	1.2
159.11693	20.4
167.14307	1.2
171.11713	1.0
176.45609	0.7
177.05435	0.9
177.12747	8.9
191.97792	0.9
195.13795	9.6
269.12558	4.6
269.17450	34.3
269.22052	3.9
269.62424	1.0
270.17621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.1
55.01859	5.1
55.05503	22.6
56.44174	1.2
56.96564	3.1
57.03431	33.3
57.07066	3.8
58.57930	1.2
58.96163	1.3
60.50002	1.1
65.03933	2.5
67.05497	74.1
69.06714	2.4
69.07063	32.2
69.74096	1.3
70.06572	1.4
70.58527	1.3
71.04980	7.1
71.08630	1.4
71.11637	3.1
72.08154	3.5
73.02900	1.2
74.50882	1.3
74.57271	1.1
79.05482	46.7
81.03419	3.6
81.07048	100.0
83.04968	8.8
83.08610	18.4
84.08150	10.4
85.02886	1.6
85.06551	6.5
91.05474	25.7
93.07034	74.5
95.04945	8.8
95.08596	28.7
97.06513	17.4
97.10161	4.0
98.97581	4.8
99.08065	4.8
105.07025	15.7
107.08585	33.8
109.06502	4.4
109.10172	8.9
110.25552	1.3
111.08078	10.7
111.11704	1.7
112.11237	5.7
113.05978	1.9
116.98609	3.1
117.06992	11.3
119.08577	5.1
120.08096	1.3
121.06495	2.4
121.10129	24.8
123.08056	1.9
123.11697	5.0
129.07042	2.4
129.13878	1.9
131.08539	14.5
133.10130	11.4
135.08034	2.6
135.11684	12.5
136.06171	1.5
139.11130	2.0
143.08548	4.2
145.02832	3.8
145.10117	3.7
147.11630	3.1
149.09616	2.4
149.13235	44.9
149.28712	1.3
151.03879	1.6
151.11133	2.5
155.11855	1.6
156.03693	1.3
157.10127	4.7
158.99544	1.4
159.11682	22.6
161.13200	3.1
167.02260	1.6
167.14339	2.0
171.11736	1.7
173.13243	2.7
173.56618	1.3
177.05473	5.2
177.12708	12.4
185.13292	1.8
187.14815	1.8
195.13773	12.1
199.14798	2.2
213.16406	3.7
224.09628	1.6
225.10368	2.7
238.09509	6.1
238.59850	2.1
251.11220	1.8
260.12848	7.1
260.62915	2.6
269.09412	2.9
269.12521	4.3
269.17407	40.0
269.22168	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09050	0.5
55.05499	1.4
55.93514	1.7
56.94314	3.8
56.96550	1.1
57.03421	0.5
67.05497	3.9
69.03417	1.1
69.07044	1.5
70.95861	7.9
71.59848	1.0
71.92988	0.6
72.93390	0.9
72.93781	14.9
73.94534	0.5
79.05463	1.6
81.03398	1.1
81.07033	2.1
88.96888	3.3
89.93991	0.6
90.94263	0.8
90.94819	12.8
91.05431	0.6
92.75522	0.5
93.07009	1.2
95.08572	1.5
102.94820	0.6
107.08558	1.3
108.95847	5.7
109.10147	1.3
113.96389	1.8
116.96354	3.2
118.94287	0.8
125.96054	0.9
126.98401	1.5
128.96342	4.2
130.97913	3.0
131.97429	0.8
132.95831	1.2
134.97389	4.7
136.06175	7.7
136.95271	1.2
138.98363	3.4
142.97878	2.3
144.95772	2.6
144.99451	1.6
146.97398	5.0
148.98944	5.1
150.96864	1.8
151.02031	2.2
153.00006	0.6
154.97891	0.8
155.01529	0.7
156.99429	1.9
158.97394	1.6
159.00992	1.9
160.98978	2.4
162.00046	0.7
162.96799	2.5
166.99983	0.6
168.99442	1.3
170.97333	0.9
171.01010	2.2
172.00439	0.8
172.98923	2.5
173.02638	0.6
175.00467	0.8
176.11705	0.6
176.98419	1.8
176.99913	1.4
179.01515	7.5
181.03139	0.8
184.98911	1.0
187.00488	2.5
189.02147	1.0
192.99409	2.1
196.04256	0.6
197.02487	0.9
199.00496	1.9
199.04156	2.0
211.00499	1.1
213.02010	0.8
215.03654	3.3
217.05223	0.7
217.07249	0.8
225.02045	3.7
227.03598	8.4
241.01588	0.8
243.03151	11.5
245.04692	100.0
246.04971	1.5
259.06241	0.7
261.04102	1.2
263.05725	11.3
266.04807	1.2
268.06290	14.4
268.15948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01849	0.2
57.03439	0.4
69.55521	0.2
71.10487	0.5
71.38786	0.2
73.02928	0.3
84.23569	0.2
85.02876	0.3
94.04051	0.2
95.99122	0.2
115.17068	0.2
118.16593	0.2
119.03539	0.8
136.06172	100.0
137.04593	0.6
137.06511	0.7
164.76233	0.2
169.00778	0.2
268.10391	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	268.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40797	0.4
55.05576	1.0
55.93344	0.7
55.93599	1.3
56.08509	0.5
56.94392	2.2
61.66401	0.4
67.05592	2.8
70.95962	5.0
71.93082	0.6
72.93202	0.6
72.93446	1.5
72.93885	12.5
73.94662	0.6
79.05590	1.5
81.03497	0.7
81.07140	0.8
88.96997	2.6
90.94317	1.0
90.94927	11.2
91.05539	0.6
95.08687	0.7
98.20685	1.0
101.89589	0.4
104.96429	0.8
105.90621	0.5
106.98035	0.8
107.08585	0.5
108.95853	4.8
109.10208	1.0
111.98501	0.5
113.96487	1.1
116.96378	3.0
118.94353	0.9
122.97408	0.6
125.96221	1.0
126.33281	0.5
126.98475	1.1
128.96326	4.1
130.97884	2.8
131.97498	0.8
132.95926	0.8
134.97353	3.3
136.06163	8.5
136.95407	1.2
138.98384	3.3
142.98012	2.1
144.95924	1.9
144.99458	2.3
146.97379	4.5
148.98940	4.3
150.96967	1.0
151.02025	3.2
154.98007	1.0
156.99561	1.9
158.97498	1.3
159.01134	0.8
160.99057	2.0
162.00064	0.8
162.96954	2.1
163.00369	0.5
164.98561	0.6
165.00064	0.6
168.99542	1.0
170.97456	0.9
171.01122	2.0
172.99040	1.6
173.02580	0.7
175.00571	0.9
176.98529	2.0
177.00104	1.9
179.01530	7.3
180.01733	0.5
181.03166	1.1
187.00481	2.8
189.02177	0.6
192.99542	1.9
195.01137	0.7
197.02634	1.1
199.00581	1.3
199.04189	1.8
203.00261	0.5
209.02602	0.6
211.00580	1.2
215.03587	2.4
223.00549	0.6
225.02138	2.8
227.03601	7.1
232.33015	0.5
241.01674	1.0
243.03152	10.4
243.99719	0.5
244.06363	0.5
245.04694	100.0
245.10231	1.9
246.05031	1.5
250.05270	1.0
259.06195	0.6
261.04153	1.8
263.05771	12.1
266.04678	1.6
268.06268	15.7
268.26236	0.7
269.06522	0.7
286.07605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
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
50.03297	3.6
50.35247	3.7
55.01857	4.6
55.05508	20.2
57.03428	37.1
57.07040	4.1
59.03820	3.3
64.90797	3.3
67.05164	6.0
67.05495	78.6
69.07054	34.5
69.30571	21.1
69.30979	12.4
71.04968	5.9
73.93031	3.2
79.05479	41.6
81.07049	100.0
83.04958	11.1
83.08607	18.7
91.05492	20.0
93.07034	72.6
95.04971	5.3
95.08600	27.8
97.06520	14.2
97.10153	4.0
97.75540	3.2
97.89941	3.2
99.08076	5.2
104.99271	20.8
105.07004	6.6
107.08582	34.9
111.08061	5.7
117.06997	10.9
121.10128	23.0
123.11703	3.7
131.08543	10.5
133.10107	8.7
135.11732	6.9
137.06511	4.7
149.13255	46.9
159.11684	16.6
166.10536	3.5
176.29869	3.7
177.12756	12.5
185.76944	3.3
186.99530	5.1
195.13788	14.9
269.17365	39.2
278.33615	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	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.35290	1.0
51.02362	1.1
53.03926	3.3
55.01857	1.7
55.05493	6.8
57.03185	1.3
57.03436	19.8
66.25463	1.0
67.05502	11.7
69.03413	1.9
69.07035	2.2
69.25396	6.1
69.25822	4.6
71.04986	2.3
79.05482	12.5
81.03413	100.0
81.07053	11.6
82.03680	0.9
83.04950	5.1
83.08620	14.5
85.06508	0.9
91.05475	16.0
93.07056	6.0
95.04365	1.2
95.04961	20.3
95.08600	5.4
96.25684	0.9
97.02873	2.7
97.06548	1.0
97.10155	1.9
99.08045	0.9
103.63463	0.8
105.07025	16.2
107.04937	4.4
107.08560	3.2
109.06507	2.3
111.04456	1.1
111.08048	6.3
115.05396	1.7
117.06971	1.3
119.08589	9.4
121.06492	2.0
121.10136	3.5
123.08048	2.5
129.06985	8.1
131.08536	7.5
132.82841	1.0
133.06494	2.4
133.10117	3.5
136.06151	4.8
142.07759	2.3
145.10034	1.1
147.08035	3.0
147.11676	6.5
149.09628	4.5
157.10120	8.1
165.12788	1.8
175.11179	9.2
193.12227	20.4
198.80370	0.8
211.13260	2.6
267.15887	40.8
268.16467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03921	3.6
55.01858	1.9
55.05515	5.1
57.03433	18.6
57.07080	1.3
67.05500	10.7
69.03420	1.6
69.07042	4.1
69.41920	5.8
69.42330	2.5
71.04996	1.6
79.05474	8.8
81.03410	100.0
81.07049	11.9
83.04950	4.7
83.08611	14.3
91.05466	15.5
93.07037	7.6
95.04961	19.4
95.08594	5.5
97.02863	1.7
97.06509	1.4
97.10167	1.7
98.98440	1.5
105.07023	15.3
107.04909	4.4
107.08599	3.5
109.06481	2.1
109.10153	1.9
111.08044	4.9
117.07022	1.2
119.07932	1.1
119.08582	10.1
119.56969	1.1
121.06477	1.4
121.10136	2.9
123.08072	2.3
125.74515	0.9
129.06990	8.4
131.08522	5.5
133.06473	3.2
133.10095	3.8
136.06119	2.7
141.13376	0.9
142.07747	1.8
147.07999	2.8
147.11690	7.8
149.09592	4.6
157.10135	8.3
170.32936	1.0
175.11145	8.8
191.03622	0.9
193.12222	18.4
211.13271	2.9
216.64563	1.2
267.15872	39.1
268.16269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03936	4.5
55.01847	2.9
55.05501	11.6
56.96542	2.4
57.03429	21.8
57.07048	1.3
59.04995	0.7
59.39861	0.7
65.03915	1.6
67.05498	23.1
67.05859	1.3
69.03404	3.6
69.07061	6.2
69.69283	4.7
71.04973	2.3
79.05482	20.9
81.03407	100.0
81.06577	1.7
81.07046	29.7
83.04966	8.9
83.08610	16.7
85.02895	1.0
85.06511	2.9
91.05467	27.5
93.07037	14.5
95.04961	24.1
95.08598	12.1
97.02869	2.7
97.06510	4.3
97.10164	2.3
98.20792	0.9
98.36582	0.7
98.97574	2.4
99.08102	1.1
103.05447	1.7
105.07014	22.3
107.04940	9.5
107.08578	6.6
109.06497	4.2
109.10114	2.7
111.04427	1.6
111.08063	7.3
115.05414	1.5
116.98594	1.6
117.06992	2.4
119.04939	2.6
119.08565	19.6
121.06480	3.7
121.10121	7.8
123.08065	4.0
123.11697	4.0
127.07494	1.6
129.06982	10.5
131.00175	1.1
131.08528	9.0
133.06500	3.9
133.10109	6.8
134.99660	0.9
135.08090	0.8
137.09579	1.4
137.13306	0.8
139.03883	1.5
142.07758	2.6
143.08464	0.9
145.10083	2.2
146.99554	1.2
147.04399	2.2
147.08032	2.8
147.11670	18.1
149.01207	1.5
149.09604	5.8
153.01796	2.7
157.10114	11.2
163.11122	1.0
165.12750	5.2
175.03903	1.3
175.11151	10.0
177.00700	1.7
179.03343	4.1
181.05109	0.8
185.13225	0.8
191.03424	2.1
193.12207	19.0
195.02869	0.9
207.02850	4.9
207.13753	1.0
209.04449	2.6
211.13313	3.2
221.04433	1.1
223.13252	0.8
243.08783	5.3
249.03871	1.4
249.11090	1.0
249.14882	1.7
249.18497	0.9
258.70087	0.8
267.04880	2.3
267.15875	53.9
268.16342	1.5
282.26990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03939	4.4
55.01859	2.5
55.05508	8.0
56.96550	2.9
57.03434	19.2
57.07060	1.6
59.48470	0.7
65.03928	1.0
65.98219	0.8
67.05496	12.1
68.36481	0.8
69.03415	2.8
69.07057	5.7
71.04963	2.9
71.08616	0.9
71.21361	1.6
71.66184	0.8
73.39413	0.8
79.05489	13.5
81.03412	100.0
81.07050	18.3
83.04986	4.4
83.08614	16.1
85.02908	1.3
85.06527	2.5
91.05472	19.7
93.07033	9.0
95.04961	21.7
95.08599	9.5
97.02873	2.9
97.06537	2.1
97.10136	3.2
98.18570	0.8
98.97588	1.3
99.04442	1.2
99.08083	1.1
105.07024	14.1
107.04956	4.9
107.08587	4.3
109.06482	2.3
109.10161	4.4
111.04401	1.6
111.08069	7.0
116.98584	1.6
117.07019	1.7
119.08566	13.7
121.06474	2.6
121.10139	5.4
123.08082	2.0
123.11703	1.9
129.06989	9.1
131.08568	7.8
133.06480	2.7
133.10159	4.8
134.99648	0.9
135.11626	1.0
136.06186	2.1
137.09595	1.3
137.13347	0.9
142.07733	1.7
145.10097	1.2
147.07999	3.3
147.11667	7.9
149.09579	3.9
157.10117	9.0
165.12640	2.4
175.11198	8.2
183.11626	1.0
185.04906	1.5
185.13269	0.9
193.12224	16.7
211.13222	2.6
213.16249	0.9
230.59442	1.0
237.02737	0.9
252.96516	1.0
267.08826	2.1
267.15863	39.7
267.20465	2.0
285.10107	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	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03933	4.2
55.01864	2.7
55.05505	6.6
57.03434	19.2
57.07042	1.5
65.66148	0.9
67.05502	11.7
67.42850	0.8
68.80273	0.9
69.03421	1.8
69.07045	2.4
71.04977	1.5
71.13035	0.9
79.05491	13.3
81.03412	100.0
81.07050	12.7
83.04978	3.9
83.08612	15.4
85.02904	1.4
91.05472	16.5
93.07045	8.7
95.04964	21.4
95.08589	5.6
96.76219	1.0
97.02846	1.2
97.06541	1.0
97.10172	1.8
98.39849	1.1
105.07013	11.3
107.04954	2.9
107.08588	2.5
109.06496	1.8
109.10150	1.2
111.04419	1.9
111.08062	4.5
117.06979	1.5
119.08569	11.9
121.06467	1.2
121.10126	4.0
123.11724	1.1
129.06964	6.7
131.08566	5.1
133.06468	2.9
133.10104	4.8
136.06166	4.0
137.09650	1.3
142.07784	1.7
147.07979	2.0
147.11678	7.1
149.09618	3.8
157.10141	8.5
165.12697	1.1
175.11176	7.1
193.12233	16.9
211.13246	2.6
253.63069	1.1
267.15900	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	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.27132	5.1
55.05495	16.4
56.96556	6.8
57.03416	18.4
60.86831	5.8
65.03943	5.2
66.37209	4.4
67.05489	20.1
69.03424	6.6
69.07057	10.8
71.04961	6.0
73.06518	4.9
79.05492	28.2
81.03410	80.0
81.07057	26.4
83.04959	9.8
83.08596	8.5
85.06487	4.3
88.28721	4.8
91.05479	36.7
93.07023	15.5
95.04972	26.1
95.08588	16.3
97.02833	5.5
97.06525	7.7
105.07026	32.2
107.04920	26.9
109.06495	9.0
109.87665	4.5
111.04446	4.5
111.08112	6.0
115.05430	9.9
117.07043	5.0
119.08579	24.6
120.08070	14.8
121.06521	7.0
121.08440	12.2
121.10100	8.8
123.08080	6.7
125.09617	4.9
128.06212	8.5
129.06987	25.1
131.04753	5.0
131.08586	26.5
131.09462	5.1
133.06456	7.9
133.10100	9.5
137.05981	11.9
141.06987	8.7
143.08559	5.0
144.05710	12.9
145.06467	10.8
146.99582	7.4
147.08018	13.6
147.11641	17.4
151.07518	5.4
157.06500	12.1
157.10138	11.5
159.08058	30.8
161.09572	10.7
167.08972	10.1
171.08089	6.6
173.05884	9.0
175.07532	10.9
175.11172	8.5
181.08653	12.2
187.07533	20.8
189.09125	14.3
193.08655	6.2
193.12183	18.4
204.07800	12.0
207.10170	14.3
219.10129	12.0
221.11807	6.8
231.10182	9.2
237.11179	9.0
249.11198	100.0
267.15787	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
56.96547	1.7
57.03414	1.7
58.29537	0.6
67.05488	3.5
69.03405	3.4
69.07048	1.8
69.75125	2.7
69.75546	0.8
71.04967	0.8
73.02884	0.7
79.01836	1.1
79.05475	2.8
81.03056	0.6
81.03415	6.4
81.07049	4.6
83.04938	1.0
83.08596	0.8
85.02891	1.5
87.04416	0.6
91.05469	2.9
93.07015	2.0
95.04927	1.6
95.08591	3.6
96.83429	0.5
97.02872	6.9
98.97571	0.9
105.07030	2.8
107.08554	1.7
107.46165	0.6
109.06490	0.7
109.10154	2.0
109.23161	0.6
111.08028	0.6
115.03923	1.3
116.98549	0.8
119.04919	0.9
119.08555	2.2
121.06467	0.7
121.10133	1.8
123.08021	0.7
123.11670	1.0
125.02312	1.1
131.01952	0.6
131.04919	0.8
131.08569	1.4
133.06432	0.7
133.10123	2.1
143.03360	2.7
145.10106	0.7
147.04330	0.9
147.08055	0.6
147.11681	1.1
149.09544	1.0
153.01804	18.4
153.02786	0.7
157.10100	0.9
159.04431	0.9
169.10097	0.6
175.11160	0.8
177.05354	0.7
179.03342	1.2
183.11714	0.8
186.10921	0.7
191.03458	0.7
193.04933	0.6
193.12271	0.9
194.60756	0.9
195.11578	0.7
205.04961	1.3
207.02892	2.3
225.09653	2.1
243.10719	3.9
249.10991	1.6
267.11972	100.0
267.61417	1.2
268.12317	2.0
281.34006	0.7
285.12057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
58.03104	3.4
65.03919	6.5
68.05015	4.0
69.03396	3.7
69.04527	2.9
70.07468	14.0
72.04510	4.1
74.06087	3.5
79.05487	3.8
81.03394	4.2
83.06093	10.1
84.04488	15.8
85.02873	3.4
91.05460	6.0
93.03375	3.1
95.04935	5.6
96.04451	8.8
100.03918	3.8
106.06519	4.4
108.04482	3.8
108.25495	3.4
110.06059	7.0
116.05019	3.7
118.06536	5.0
120.04473	8.9
121.02837	7.3
122.05988	6.2
123.04401	19.6
123.05592	3.8
124.03910	6.1
125.02345	3.8
125.05980	3.4
133.07628	8.2
134.05975	8.0
136.06096	5.1
136.07593	5.0
137.05927	4.1
138.05452	17.0
139.03885	14.1
140.07018	3.2
140.98436	3.0
142.04991	50.7
146.06012	6.2
147.04395	6.3
148.03932	13.7
149.02393	5.3
150.05504	6.7
151.03882	7.6
152.03403	6.8
152.07025	3.5
153.01848	19.4
156.06563	8.7
161.07059	21.7
162.05499	18.8
163.03879	4.5
164.03453	3.6
164.07056	10.8
165.06638	7.6
166.04974	10.1
167.05743	13.4
168.02875	3.8
168.06557	27.7
172.03893	4.3
176.03441	10.1
177.01857	10.7
177.04251	3.4
178.05038	7.6
179.08151	5.8
180.06529	8.6
181.04865	16.0
184.06073	7.6
185.04457	6.6
189.06572	27.7
189.15536	3.6
190.04982	23.9
190.07288	3.4
191.08257	3.5
192.02847	6.1
193.06090	13.2
194.04475	100.0
195.05261	5.4
207.07608	22.9
208.06058	12.6
208.08278	7.1
209.04552	6.4
209.06827	20.4
210.05313	5.2
210.07468	4.8
213.95314	3.9
217.05994	18.1
218.04427	12.9
221.09256	9.1
222.07576	7.3
224.05484	5.4
225.08563	4.2
226.07057	34.5
227.07790	4.1
235.07138	43.4
239.10115	5.3
249.08661	17.0
250.07133	7.6
267.09735	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2479
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.05513	2.9
55.93971	0.5
56.96561	2.5
57.03425	0.8
57.07060	0.6
67.05510	2.6
69.03424	1.0
69.07066	3.1
70.06587	0.5
71.08616	2.4
71.60014	0.7
75.04096	0.4
79.05478	1.3
81.03407	1.9
81.07047	4.7
82.06552	0.9
82.07368	0.7
83.04948	0.6
83.08601	1.6
84.08138	0.8
85.02896	1.8
86.09701	0.9
91.05430	1.3
93.07030	2.4
95.04985	1.1
95.08599	4.2
96.08128	0.6
96.08928	1.1
97.02892	1.3
97.10162	0.6
98.09687	0.8
98.97581	2.5
105.07002	1.9
107.08586	1.1
108.08926	0.7
109.10156	2.0
110.09666	1.4
110.10434	0.8
112.07611	1.3
116.98660	2.6
119.08583	0.9
121.10113	0.9
123.10445	0.8
123.11672	1.2
124.11204	1.3
124.12033	0.6
134.99634	1.9
135.11687	0.9
136.11221	1.3
137.12012	1.3
137.13202	1.1
138.12772	0.9
146.97461	0.8
146.99573	0.5
148.07631	0.8
150.12769	6.8
152.14313	3.4
153.00693	0.6
164.14383	1.2
165.15158	0.7
166.15898	10.0
168.13802	2.6
168.17497	2.3
176.63426	0.5
177.00702	0.7
178.15874	3.9
179.16574	0.6
180.17453	1.2
192.17461	6.5
193.18219	1.6
194.10680	0.8
194.18988	0.8
220.20564	1.6
222.22154	100.0
223.22380	1.6
224.23636	1.0
255.29817	0.6
266.24771	79.0
267.15933	0.8
267.25250	0.7
289.15485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03929	0.5
53.21679	0.3
55.01855	1.0
55.05495	1.4
56.96547	1.0
57.03433	2.1
57.07065	0.5
65.03927	0.3
67.05492	4.0
69.03420	15.4
69.07051	1.1
71.04987	0.5
71.10786	0.7
78.20427	0.3
79.01391	0.4
79.01842	7.1
79.05473	2.8
81.03403	7.7
81.07045	4.8
83.04965	1.1
83.08588	1.7
85.02895	0.8
85.06548	0.3
87.04454	0.9
91.05460	4.4
93.07047	1.7
95.04963	2.6
95.08608	3.7
97.02879	23.2
97.06499	0.5
97.10142	0.4
98.59290	0.3
98.97570	0.6
103.05453	1.2
105.03377	0.8
105.07011	2.6
107.01279	1.5
107.04936	1.3
107.08585	1.1
109.02875	0.4
109.06490	1.0
109.10136	2.0
111.04453	0.5
111.08035	0.6
115.03915	6.3
116.98595	0.8
117.07003	0.4
119.04932	2.8
119.08553	1.6
121.10130	1.1
123.00706	0.3
123.04413	0.5
123.08034	0.5
123.11707	1.1
123.87175	0.3
125.01424	0.5
125.02317	5.0
129.06981	0.9
131.04922	2.3
131.08534	0.6
133.02806	1.5
133.10098	1.2
134.99654	0.5
135.04387	0.6
137.05896	0.4
137.09607	0.6
138.59009	0.3
139.03871	1.1
143.03371	10.7
143.08488	0.3
147.04396	5.5
147.08043	0.5
147.11711	1.7
149.02299	0.3
149.09593	0.4
151.03825	2.0
153.01807	100.0
153.02812	4.3
154.02101	0.9
157.10104	0.7
159.04385	4.2
163.03862	3.9
165.05463	1.6
165.12732	0.5
167.03429	0.6
175.03883	3.9
175.11157	0.5
177.01852	0.6
177.05479	2.1
177.16257	0.3
179.03365	6.9
181.01312	1.0
186.10887	0.3
187.03940	0.5
191.03365	3.5
193.04950	3.3
193.12227	1.1
195.02881	1.1
195.11449	0.5
203.03349	1.8
203.17928	0.5
205.03148	0.5
205.04941	5.5
207.00897	0.7
207.02849	9.9
209.04465	2.9
219.02835	0.4
221.04405	2.7
223.02383	3.9
223.04337	0.6
231.02820	2.1
237.03893	2.5
243.10661	0.5
249.03909	1.9
249.14778	0.4
267.04938	7.7
267.11960	8.7
267.15909	3.4
267.19333	0.4
267.61462	0.4
285.09940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03934	6.0
53.52444	3.1
55.05502	15.9
56.96546	4.8
65.03922	9.8
67.05496	38.3
69.03423	34.3
69.07065	7.4
69.89694	2.8
71.04984	7.9
71.57809	5.7
72.08150	45.5
72.80946	3.0
79.05496	20.0
81.03436	3.2
81.07043	21.1
83.04966	11.5
85.06521	3.9
91.05466	57.6
93.03367	8.8
93.07035	41.0
95.04959	48.2
95.08592	18.9
97.02888	6.7
97.06534	7.2
98.01768	3.5
99.04433	5.1
103.05428	7.8
105.07014	74.7
107.04949	6.3
107.08569	21.9
109.02867	4.6
109.06505	33.1
109.10142	7.4
111.04455	32.3
111.08067	8.0
113.06009	19.3
115.05425	9.6
116.06247	6.6
117.07008	15.9
119.08567	100.0
120.08095	70.0
121.02854	14.1
121.06496	48.4
121.10113	17.0
123.08062	31.4
125.05990	5.0
128.06229	9.1
129.06958	18.7
130.07771	11.2
131.08546	47.3
133.06483	14.5
133.10120	19.1
135.08034	89.1
137.09615	16.4
139.03873	12.0
139.07527	11.7
141.06987	11.9
142.07761	11.0
142.97868	4.1
143.08539	20.3
144.05667	6.2
144.09322	8.9
145.02831	4.5
145.06407	16.5
145.10095	35.4
146.07268	5.4
147.08020	43.8
147.11665	16.2
149.05946	4.2
149.09581	15.5
151.07503	4.9
153.54510	3.7
155.08507	9.1
156.09326	11.9
157.06467	7.4
157.10104	21.9
158.07216	22.0
159.08034	48.4
159.11673	48.8
160.08812	5.1
161.05974	7.7
161.09607	38.0
161.13293	5.0
163.03889	4.8
165.09088	42.8
168.09343	10.7
169.10104	5.6
171.08032	7.6
171.11690	14.3
172.08844	22.2
173.09598	24.9
173.13245	19.8
175.07526	81.2
175.11139	44.2
177.05441	12.6
181.09998	3.9
183.11690	12.9
185.09602	12.1
186.10434	6.1
187.07675	3.5
187.11169	36.7
189.09113	12.2
189.12688	16.4
193.08586	26.6
193.10109	5.3
196.08711	7.0
199.11151	13.2
201.12692	40.2
203.10657	49.2
205.12242	5.6
211.11150	26.0
217.12189	32.7
219.13766	11.6
229.12175	35.2
230.95923	5.2
235.13312	9.8
247.13220	47.0
265.14258	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	266.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71265	2.1
52.97555	2.2
55.05502	5.4
56.96559	21.7
62.58317	2.2
65.03921	2.2
67.05483	8.6
69.03420	9.6
69.07047	8.1
71.60294	2.6
71.95213	2.1
79.05471	6.7
81.03416	15.3
81.07033	9.6
82.07387	2.5
83.04974	6.4
83.08597	3.8
85.02898	6.4
85.51031	2.1
91.05466	6.6
93.07015	6.5
95.04955	7.8
95.08603	10.8
96.08920	2.9
97.02869	9.2
97.06529	2.2
98.97581	29.8
99.04449	2.1
105.07026	7.5
107.08578	8.7
109.06463	3.9
109.10139	2.8
116.98615	26.6
117.06955	2.7
119.08553	4.8
121.10179	2.3
123.08041	3.0
123.11717	4.2
128.98587	3.2
130.19078	2.4
133.10123	2.8
134.99663	14.5
135.08076	4.3
137.09615	3.9
140.00137	2.3
146.99698	3.3
149.05962	3.2
149.09604	3.1
151.11159	5.3
153.00723	3.7
158.99678	5.4
162.06108	2.5
175.07506	5.0
177.00764	8.0
185.07187	3.2
193.06209	5.2
194.07756	9.1
197.04677	2.8
203.08269	6.5
204.57089	3.1
211.06525	2.4
214.59048	3.6
229.07480	2.4
231.36932	2.1
237.02789	3.8
239.05861	2.2
241.07526	2.3
243.09103	3.1
251.05971	5.2
266.09869	100.0
266.60043	25.4
279.05472	2.7
285.10181	2.7
286.61292	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	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42107	0.1
70.03204	0.3
70.03619	0.2
82.49397	0.1
82.99881	0.2
98.20856	0.1
101.00868	1.4
114.69505	0.1
119.01913	10.2
120.01989	0.1
134.99863	0.6
137.02943	3.8
140.98856	0.2
141.24675	0.1
142.03566	0.2
151.68344	0.1
153.00941	0.6
158.99832	0.9
165.99596	0.3
166.50203	0.1
175.02971	0.2
177.00940	22.8
178.01048	1.0
179.01311	0.2
179.63470	0.1
182.99893	0.5
193.04068	0.5
195.01971	0.5
199.03131	0.2
200.02538	0.4
201.00838	1.0
201.02240	0.2
217.04073	3.4
218.03694	0.3
219.01988	26.6
220.02141	1.3
221.02022	0.5
225.00842	2.0
237.03194	0.1
241.25978	0.1
242.03395	0.2
243.01949	7.2
244.02162	0.3
260.04684	0.2
261.03043	100.0
262.03174	3.8
263.03537	0.4
266.03699	0.2
284.04727	2.7
285.04730	0.2
288.07901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
51.46477	1.3
53.03939	5.6
55.01857	4.6
55.05508	100.0
56.96552	2.4
56.99041	1.3
57.03425	2.1
57.07074	14.8
59.04993	2.2
65.03928	1.4
67.05499	20.4
69.03414	5.2
69.07063	83.4
69.85318	6.9
71.04986	3.5
71.08620	4.0
71.23108	1.1
72.82278	1.2
72.93775	1.4
73.59367	1.2
79.05478	13.5
81.03405	3.5
81.07050	50.4
83.04974	4.3
83.08614	44.8
83.09109	2.4
85.02909	1.5
85.06538	7.2
85.10159	1.9
88.14346	1.3
91.05464	5.8
93.07037	31.2
95.04967	2.8
95.08598	50.4
97.06521	10.2
97.10163	75.3
98.97584	3.4
99.08067	2.9
105.07015	4.8
107.08585	28.6
109.10152	34.3
109.65910	1.4
111.08058	7.6
111.11713	4.6
112.65858	1.4
116.98593	3.7
117.07028	2.1
119.08560	2.5
121.10135	21.0
122.07154	1.2
123.11710	14.7
125.09647	10.3
133.10059	2.4
134.99620	2.3
135.08009	1.5
135.11688	14.2
137.09637	2.1
137.13251	6.5
139.11154	2.1
145.10208	1.7
149.13258	17.2
151.14778	2.2
153.12740	18.8
159.11569	1.5
163.14807	5.1
167.14314	2.4
174.62598	2.1
177.16396	5.5
183.63141	1.9
191.17918	7.7
192.63754	3.7
209.18970	15.1
237.72731	1.4
247.24142	10.2
265.14758	1.3
265.17917	4.0
265.25244	38.7
266.09814	1.9
266.17310	7.7
283.06363	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05508	13.9
59.94017	4.1
65.03938	14.2
67.05489	33.5
69.03419	34.8
69.07053	8.0
70.84441	11.4
70.87051	4.2
71.04986	9.0
75.45489	4.6
79.05485	24.3
81.07035	19.5
83.04970	10.8
91.05476	58.9
93.03374	6.5
93.07029	48.9
95.04945	63.0
95.08606	28.6
97.06549	8.2
101.52218	4.9
105.07015	84.4
107.05021	10.0
107.08598	24.1
109.06501	37.4
111.04417	34.6
111.08060	13.7
113.06001	19.5
115.05431	9.9
116.06242	6.8
117.07006	22.2
119.08569	100.0
120.08080	26.7
120.65314	4.3
121.02854	17.5
121.06497	65.5
121.10114	13.0
123.08015	25.2
128.06232	10.3
129.07014	20.6
130.07803	7.6
131.08568	44.6
133.06476	14.4
133.10124	20.2
135.08035	89.0
137.09615	15.4
139.03828	9.1
139.07559	6.8
141.06969	10.4
142.07761	14.5
143.08556	17.1
144.09317	9.0
145.06468	18.1
145.10121	26.0
146.07281	4.9
147.08034	58.9
147.11702	15.4
149.05986	6.7
149.09604	8.4
155.08546	11.1
156.09312	11.3
157.06456	5.3
157.10126	27.6
158.07184	27.6
159.08060	41.3
159.11658	46.7
160.08835	8.0
161.09572	41.6
163.03915	7.0
165.09116	39.8
168.09303	10.0
169.10181	8.5
171.11603	9.2
172.08803	28.9
173.09598	22.3
173.13252	20.1
175.07526	74.3
175.11108	38.8
175.14731	4.9
183.11700	13.8
185.09624	13.6
186.10323	6.3
187.11165	46.3
189.09097	14.1
189.12759	17.9
193.08603	27.4
193.10123	6.3
196.08846	9.1
199.11189	16.1
201.12715	49.9
203.10693	49.0
205.12294	7.0
211.11177	22.2
217.12216	25.0
219.13734	11.3
229.12265	29.6
235.13275	5.4
247.13266	45.1
265.14331	52.5
273.21536	5.6
278.43024	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	1.3
55.05503	14.5
57.07072	11.7
59.78078	1.0
65.03924	1.8
66.51250	1.2
67.05497	79.2
69.07059	17.2
70.42696	2.5
70.43082	2.4
71.08616	6.5
79.05485	19.3
81.07049	100.0
83.08611	13.3
85.06512	4.3
85.10150	2.0
85.41995	1.1
91.05482	16.5
93.07037	22.7
95.04961	2.5
95.08596	84.0
97.06509	6.8
97.10157	6.3
99.08080	5.4
104.99245	4.2
105.07021	9.9
107.08582	14.1
109.06468	1.3
109.10145	42.7
111.08062	5.1
111.11718	1.6
113.09615	3.1
119.08571	14.6
121.10129	16.5
123.08058	2.6
123.11707	19.5
125.09633	1.6
127.11155	2.7
131.08658	1.1
133.10115	16.1
135.11690	8.6
137.09616	3.0
137.13263	6.8
137.90126	1.0
141.12718	2.3
147.11694	9.6
149.13243	7.8
151.14760	8.0
159.11630	1.4
161.13235	9.9
163.14851	6.6
165.16351	7.7
175.14786	6.4
177.16460	1.5
179.17908	4.0
181.15907	1.7
189.16374	3.7
203.17947	1.6
217.19385	2.1
219.21106	1.4
245.22641	26.6
263.23676	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1431
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.08308	2.5
52.43695	2.5
53.03934	6.4
55.05507	14.1
56.05017	2.7
56.96553	4.4
57.07064	3.4
58.06588	2.8
58.64361	2.7
65.03920	7.0
67.05504	22.2
69.03430	21.7
69.07047	8.4
69.52063	6.6
69.52477	17.3
70.06591	3.9
71.04978	4.7
72.08126	11.2
72.93758	5.9
79.05510	16.3
81.07037	17.1
83.04967	7.5
84.08121	4.8
85.02893	3.1
85.83121	2.6
86.09684	3.5
87.04419	3.0
89.03899	6.1
89.10747	3.2
90.94818	4.0
91.05468	45.2
93.03396	5.5
93.07040	35.5
95.04961	38.3
95.08598	19.7
97.02885	4.5
97.06505	6.4
97.10151	4.2
98.20770	3.0
98.21319	7.5
99.04444	5.7
103.05442	4.3
105.07024	53.8
107.04901	4.2
107.08564	20.5
109.02888	3.6
109.06506	24.8
109.10137	7.4
111.04427	21.7
111.08038	10.0
112.11256	4.4
112.46418	2.7
113.05984	15.6
115.05416	5.8
116.06203	3.7
117.03347	17.6
117.07001	13.9
119.08569	69.1
120.08093	15.0
121.02847	10.8
121.06483	31.9
121.10120	9.3
123.08053	17.7
123.08795	3.1
127.03868	3.5
128.06181	5.0
129.06981	14.2
130.07742	7.7
131.08557	35.5
133.06477	5.6
133.10100	16.0
134.03491	2.8
135.04466	3.6
135.07079	5.4
135.08037	52.2
137.09584	10.3
137.72327	2.9
139.03868	12.5
139.07460	5.9
141.06982	7.6
142.07744	7.7
143.08542	11.6
144.09334	7.0
145.02821	54.0
145.06456	11.6
145.10110	20.8
146.07175	3.2
147.04402	4.2
147.08023	29.7
147.11656	9.3
149.05969	9.1
149.09607	10.6
150.07677	3.5
151.07486	4.0
153.09006	3.7
155.08524	6.2
156.09338	7.6
157.06467	5.8
157.10094	15.8
158.07280	15.1
159.08035	26.5
159.11690	33.4
160.08749	4.0
161.09593	20.5
161.13234	2.9
163.03893	12.2
163.07513	3.3
164.04240	4.8
165.09105	23.5
167.10699	2.8
168.09320	5.2
169.10072	4.3
171.08043	4.3
171.11639	5.0
172.08775	16.1
173.09570	12.0
173.13197	15.7
175.07523	48.9
175.11134	27.0
177.05446	100.0
183.11674	7.9
185.09550	6.1
186.05305	3.3
186.10344	6.3
187.11163	28.7
189.09099	7.0
189.12721	8.2
191.03508	3.5
191.06946	3.6
193.08559	14.4
193.41931	2.8
196.08737	4.5
199.11143	7.9
201.12651	26.8
203.10637	34.9
205.12134	4.7
211.11174	11.4
213.01526	2.9
215.54491	3.1
217.12210	22.5
219.13763	10.8
229.12206	18.3
235.13255	4.6
247.13216	34.5
248.12863	9.4
265.03250	4.6
265.14313	41.4
283.98343	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77857	14.2
69.82336	100.0
72.79112	15.4
85.02939	15.0
86.37070	15.3
101.00857	19.0
131.01973	21.0
143.01895	26.6
161.02956	71.4
166.73256	15.7
173.02907	29.4
203.72548	16.3
226.07442	16.7
240.18649	17.0
263.01566	53.0
263.03821	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	263.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08368	0.6
54.03472	0.6
55.05493	0.8
56.96548	2.0
58.06580	0.9
58.81039	0.6
69.26169	4.8
69.26596	2.4
70.06583	31.7
72.08137	2.4
73.79921	0.8
74.13553	0.6
82.02930	0.9
84.04472	0.9
84.08131	6.6
89.03904	3.0
91.05463	3.7
93.07042	3.2
93.54722	0.6
94.06549	6.8
95.04956	0.9
98.16954	0.7
103.05454	7.2
105.30217	0.7
107.04948	0.8
112.11234	8.9
113.07085	1.0
113.11623	0.9
115.05449	0.8
116.07077	74.2
116.98572	0.7
117.03367	4.3
117.07317	0.6
119.04903	3.1
120.08087	100.0
128.03427	9.2
129.13889	6.3
129.70045	0.6
130.06508	58.4
131.06821	0.7
132.04433	20.1
132.08052	6.4
134.99655	0.9
135.04359	1.5
136.07520	1.0
141.00310	0.7
142.06435	1.0
145.02827	8.7
146.05969	1.8
147.04396	9.1
148.04688	0.7
148.07588	1.6
149.05913	0.8
155.11780	1.2
157.07590	84.3
158.05988	43.7
158.07922	1.4
159.06383	0.7
159.09152	19.2
160.07565	2.3
161.02930	1.1
163.03880	2.4
175.08650	39.7
177.04004	1.0
177.05434	9.5
178.05811	0.9
184.07597	0.8
185.07135	5.7
186.05460	2.2
189.01799	0.8
190.00162	1.7
199.08640	1.8
201.10220	9.1
203.08131	51.1
203.99881	3.2
204.06494	1.8
204.08359	1.2
204.10152	1.4
213.00484	2.8
215.50845	1.6
217.01205	1.3
217.09631	1.8
220.01186	0.7
221.09175	13.8
224.51262	0.8
227.08131	2.5
229.01921	0.8
235.02371	1.3
245.00797	1.0
245.09224	6.2
263.01837	5.0
263.10162	7.6
263.13837	10.8
275.17377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03922	1.5
55.01873	2.6
55.05498	2.4
56.96529	1.1
60.66954	1.2
67.05482	4.0
69.03413	9.5
69.59650	3.3
69.60069	4.8
70.06542	1.4
71.04966	1.3
79.05489	8.1
81.07030	5.3
83.04950	2.4
85.02869	2.8
91.05458	7.8
93.07022	3.4
95.04942	3.5
95.08567	1.7
97.02882	2.8
97.06509	14.6
103.05434	2.6
105.07012	10.3
107.04932	1.5
107.08582	14.1
109.02865	4.9
109.06512	5.8
109.10098	1.2
111.04436	7.9
112.11201	2.3
113.02354	6.0
115.05429	2.3
117.06999	5.5
119.04883	2.8
119.08575	9.7
121.06487	6.0
121.10078	1.4
123.04385	6.6
123.08035	3.8
128.06198	3.9
129.06978	5.4
131.08525	5.7
133.06453	2.8
133.10109	4.4
135.04402	2.0
135.08035	100.0
137.05949	2.8
137.09642	1.2
141.06920	2.7
142.07761	4.9
143.08533	7.1
144.09352	2.1
145.02742	1.6
145.06471	3.4
145.10095	3.9
146.07239	1.5
147.04358	4.0
147.08025	6.9
147.11620	2.3
149.05930	2.0
149.09589	2.4
151.07533	1.9
153.06981	1.7
155.08644	1.4
156.09344	7.6
157.06522	2.4
157.10097	6.4
158.07260	3.4
159.08028	8.7
159.11678	8.6
160.08792	1.8
161.05951	3.0
161.09549	4.5
163.07501	3.5
165.09102	1.4
166.07776	2.6
169.06468	3.0
169.10034	2.0
170.07224	1.9
171.08032	2.6
171.11638	8.5
172.08788	5.1
173.09604	8.4
173.13078	1.4
175.07515	3.5
175.11154	4.4
177.05504	1.8
181.10100	3.8
183.08047	1.5
184.08838	4.7
185.09598	5.0
187.07504	2.6
187.11154	25.8
188.08215	2.8
189.05481	1.6
189.12735	3.0
197.09506	1.3
199.07480	4.5
199.11148	20.5
202.09746	2.1
203.10649	34.6
209.09593	2.4
210.17371	1.4
212.08240	3.8
215.10655	21.5
217.08614	1.4
217.12206	19.0
219.13693	1.9
227.10645	17.5
233.11688	14.5
233.43881	1.1
245.11697	49.8
246.11925	2.0
263.04630	1.9
263.12717	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	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03931	3.1
55.05499	16.3
55.70868	1.5
56.96568	9.8
57.03411	2.1
57.07064	11.7
65.03920	2.0
67.05497	83.8
69.07058	16.4
71.08614	6.6
71.49017	2.3
79.05478	24.7
81.07044	100.0
83.04954	2.0
83.08599	10.5
85.06516	4.6
85.10126	1.9
91.05469	17.1
93.07029	23.6
95.04977	1.9
95.08591	87.2
97.06505	5.7
97.10138	3.9
99.08082	5.2
100.95016	1.4
104.99262	16.8
105.07023	14.4
105.22276	1.4
107.08575	15.0
109.06467	1.8
109.10143	41.3
111.08061	4.0
113.09606	2.7
119.01926	1.8
119.08569	12.6
121.10142	17.3
123.08035	3.1
123.11681	16.6
124.37762	1.5
127.11159	2.9
131.08484	1.7
133.10133	13.8
135.11684	9.1
137.09584	3.3
137.13196	6.4
141.12711	2.0
143.01941	2.1
147.10670	1.8
147.11678	10.7
149.13217	6.5
151.14790	6.0
161.02902	3.9
161.13229	8.8
163.14803	6.4
165.16399	9.8
173.02779	1.6
175.14815	7.3
177.16344	1.8
179.17862	3.8
181.15953	1.7
189.16374	2.9
191.67154	1.6
193.07312	1.4
199.06390	4.9
203.17824	1.7
217.07431	15.2
240.09196	2.1
241.11125	4.4
245.22633	28.7
252.18993	1.6
259.12036	4.0
263.05652	2.0
263.14142	1.7
263.17938	3.4
263.23654	58.8
264.23981	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.80365	1.1
53.03943	1.6
55.05503	16.4
57.03415	1.6
57.06868	1.0
57.07069	11.1
65.03929	2.4
67.05495	75.5
69.07056	14.6
69.43368	2.9
69.43689	12.2
70.24843	1.2
71.04984	1.9
71.08627	6.9
79.05477	21.3
79.71697	1.1
81.07047	100.0
83.04956	2.2
83.08609	14.9
85.06525	3.7
85.10148	1.4
91.05471	15.8
93.07036	22.6
95.01093	1.2
95.04948	2.7
95.08595	88.0
97.06507	9.3
97.10141	5.8
99.08076	6.1
104.99253	11.4
105.07014	11.4
107.08566	15.4
109.06496	1.6
109.10145	42.6
111.08059	3.0
113.09627	3.7
119.08591	12.6
121.10123	19.0
123.08052	2.1
123.11685	19.1
125.09586	1.8
127.11182	3.0
133.10121	12.7
135.11656	9.7
137.09624	2.3
137.13225	9.4
139.11153	1.7
141.12724	2.3
147.11659	10.7
149.13214	8.4
151.11185	1.5
151.14832	6.6
151.87189	1.2
155.14259	1.7
161.13269	9.6
163.14787	7.7
165.16351	9.2
175.14813	6.4
179.14250	1.2
179.17940	3.3
189.16341	3.2
191.56445	1.3
204.13286	2.3
206.08226	1.4
207.17403	1.6
217.19627	1.8
245.22638	27.6
247.11487	8.4
248.12329	6.7
263.14667	63.5
263.23672	68.5
264.14902	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02376	1.6
53.03933	3.3
55.01870	1.1
55.05262	1.0
55.05508	15.3
57.07056	2.9
67.05502	45.3
69.07071	15.3
70.84747	2.1
70.98285	0.8
71.04990	3.2
71.08634	2.0
77.03940	1.2
77.36501	0.9
79.05491	61.1
81.07056	54.2
81.07451	0.7
83.08611	8.4
85.06544	4.4
91.05478	33.3
92.81906	0.9
93.07043	79.4
95.04966	7.1
95.08607	40.6
97.06506	4.5
97.10175	2.1
99.08082	3.9
105.04504	1.0
105.07031	24.5
107.08594	52.8
109.06541	2.6
109.10149	17.0
111.08076	5.2
113.09666	1.3
117.06989	7.6
119.08574	15.8
121.10141	51.2
123.08070	3.3
123.11691	4.2
125.09576	1.5
130.07799	1.1
131.08554	17.3
133.10129	15.6
135.11690	36.8
137.09622	3.0
137.13213	1.5
145.10115	16.0
147.11694	14.0
149.13254	31.0
159.11684	11.9
161.13258	13.7
163.14824	23.6
165.12755	2.0
173.13249	12.2
175.14856	4.3
177.16386	5.0
179.14360	2.1
187.14838	9.2
201.16417	4.0
205.15735	1.1
215.18040	1.8
219.17621	1.4
233.22639	1.4
243.21089	37.9
261.22144	100.0
262.14279	2.2
262.22546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.18
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
56.96550	1.6
57.07071	6.1
58.06594	0.6
69.07068	0.7
69.57005	4.2
70.06588	15.8
71.08616	3.7
72.08127	0.5
79.05487	0.7
81.03426	0.5
84.08132	2.2
86.09692	1.1
87.04460	32.4
88.07623	15.2
91.05462	1.0
93.07001	0.6
95.04966	0.5
98.97574	0.7
102.09227	0.7
105.07046	1.0
106.08659	2.1
109.97955	0.6
112.11198	0.8
114.09165	4.4
116.98667	0.9
118.06532	11.9
118.08650	2.0
119.08583	0.7
129.97166	0.6
130.08667	0.6
131.08479	0.8
132.08087	3.4
132.10193	21.6
133.08829	2.1
134.09677	1.0
146.09604	4.7
146.97455	1.0
147.04388	0.6
150.11241	18.6
176.14336	72.0
177.05505	0.7
177.14630	1.0
186.18488	1.3
200.20033	1.3
218.21146	6.4
262.18002	98.6
262.23755	100.0
263.18469	1.2
263.24030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09330	4.5
69.35985	38.8
82.30952	4.3
98.20817	12.4
101.00874	17.8
113.00866	10.2
119.01921	46.4
131.01889	32.5
137.02950	5.7
143.01912	36.0
149.02936	7.1
155.01874	17.7
157.33812	4.7
161.02956	100.0
173.02924	47.8
185.02936	5.9
191.03989	30.1
203.03970	13.6
221.05115	6.5
231.03674	7.2
263.01544	21.2
263.05945	38.8
271.53815	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03929	2.2
55.04467	0.6
55.05260	1.2
55.05503	13.6
57.03418	1.6
57.07065	3.5
62.22501	0.7
65.03915	2.1
67.05495	44.7
69.07056	13.9
69.44475	5.8
71.04977	2.2
71.08606	1.8
72.83526	0.6
77.03938	0.8
78.04703	0.6
79.05482	59.5
81.07045	51.0
83.04908	0.7
83.08605	8.6
85.06528	4.1
91.05464	30.4
93.07030	76.4
95.04951	6.1
95.08592	38.0
97.06511	2.4
97.10143	2.5
98.20683	1.2
99.08064	3.7
105.04515	1.1
105.07015	19.2
107.08578	49.2
109.06482	2.5
109.10143	16.4
111.08074	3.1
113.09608	1.4
117.06998	8.4
119.08562	15.7
121.10128	42.2
122.10403	0.8
123.08035	1.9
123.11693	4.7
131.08549	13.6
133.10112	15.2
135.11671	33.2
137.09579	2.5
137.13234	1.7
139.11217	0.9
145.09038	1.0
145.10107	15.4
147.11673	12.5
149.09641	1.2
149.13234	28.0
151.14871	0.7
154.29088	0.7
159.11667	11.2
161.13229	12.9
163.11128	0.9
163.14795	20.1
165.12794	1.8
173.13229	10.6
175.14734	4.5
177.16371	5.1
179.14264	1.6
187.14835	6.2
189.16322	1.7
191.14191	1.0
201.16357	3.0
204.13910	0.8
205.14217	3.9
205.15793	1.0
215.17981	1.6
217.19580	0.9
219.17387	1.0
233.22578	0.7
243.21046	34.8
261.22104	100.0
262.22455	1.5
271.76654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	2.9
53.07236	0.6
55.05503	14.1
57.03427	1.6
57.07072	4.0
65.03918	1.4
67.05497	44.1
69.07056	14.5
70.43559	2.0
70.43909	0.9
71.04969	2.7
71.08615	1.3
76.09005	0.8
77.03911	1.3
78.28175	0.7
79.05484	62.9
79.90386	0.7
81.07047	51.5
83.04944	1.1
83.08603	5.8
85.06541	3.6
88.81443	0.7
91.04893	1.5
91.05465	29.0
93.07032	80.9
95.04955	6.0
95.08595	35.8
97.06497	2.1
97.09599	0.6
97.10120	3.6
98.20775	0.7
99.08089	4.4
103.05351	0.7
105.04513	0.8
105.07020	22.1
107.08581	54.8
109.06486	1.9
109.10147	15.2
111.08051	3.1
111.11682	0.7
113.09633	1.0
117.07015	6.1
119.08574	15.5
121.10130	44.3
123.08046	1.8
123.11699	4.4
125.09597	2.8
130.81926	0.7
131.08557	15.1
133.10123	13.7
135.11674	36.6
137.09590	2.2
137.13242	1.5
139.11243	0.8
145.09035	1.0
145.10112	14.7
147.11671	12.1
149.09581	0.8
149.13239	29.6
151.11186	1.1
151.14818	1.1
153.12758	1.0
159.11668	10.6
161.13243	12.0
163.11226	1.0
163.14801	21.6
165.12686	1.0
173.13272	10.2
175.14848	4.6
177.16347	5.2
179.14297	1.6
187.14806	8.6
189.16386	1.1
195.04036	0.7
201.16385	3.3
205.15982	0.9
215.17946	1.2
219.17535	1.1
233.22540	1.2
243.21051	31.2
261.22110	100.0
262.22495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01849	1.2
55.05260	1.3
55.05507	16.8
55.07183	0.6
57.03427	1.8
57.07059	4.9
65.03921	2.3
67.05497	45.9
68.26325	0.7
69.07062	17.2
71.04552	1.3
71.04967	3.8
71.08612	2.3
77.03900	0.7
79.05486	65.0
81.07050	56.4
83.04981	1.6
83.08611	7.6
84.83649	0.8
85.06541	3.7
91.05470	30.1
93.07034	84.7
95.04962	6.8
95.08598	41.1
97.06537	3.8
97.10162	2.6
99.08086	3.4
105.07017	19.8
107.08582	53.3
109.06497	2.4
109.10136	15.2
111.08080	3.3
111.11728	0.7
113.09595	1.2
117.07001	7.5
119.08569	18.2
119.92463	0.7
121.06474	0.8
121.10128	48.2
121.21494	0.8
123.08065	2.4
123.11683	4.2
125.09627	1.0
130.07817	0.8
131.08554	14.8
133.10123	13.6
135.11678	38.4
137.09628	1.8
137.13235	1.3
139.11137	0.7
143.08537	0.8
145.10104	16.3
147.11674	11.2
149.09560	1.1
149.13240	27.6
151.11168	1.9
159.11678	11.1
161.13231	13.5
163.11134	0.7
163.14804	21.8
165.12770	1.2
173.13263	11.3
175.14793	3.0
177.16403	6.0
179.14288	1.3
187.14760	7.9
189.16386	1.3
201.16377	3.6
205.15878	1.0
215.17970	1.9
219.17418	1.1
222.70674	0.6
233.22647	1.4
243.21054	32.6
261.22110	100.0
262.22510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03940	3.3
55.01862	1.4
55.05503	14.2
55.91003	0.5
57.03423	1.5
57.07069	4.4
65.03929	2.0
66.83857	0.4
67.05495	44.9
67.84046	0.5
68.46400	0.5
69.06714	0.9
69.07060	14.4
69.78979	3.2
71.04973	2.5
71.05329	0.6
71.08606	2.1
73.60215	0.5
77.03901	0.9
79.05482	61.7
81.07047	51.8
81.07436	0.7
83.04963	1.2
83.08607	8.6
85.06549	3.0
88.01174	0.5
91.05468	33.5
91.74708	0.6
93.07030	81.5
95.04958	7.3
95.08594	37.2
97.06499	3.7
97.10162	3.0
99.08073	4.7
105.04484	1.4
105.06293	0.6
105.07015	20.1
107.08578	49.2
109.06506	2.0
109.10140	14.9
111.08073	3.6
111.11681	1.0
113.09644	1.2
117.07006	7.0
119.08562	16.6
119.36515	0.5
121.06510	0.7
121.10130	42.3
122.29320	0.5
123.08052	1.6
123.11708	4.7
125.09587	1.1
129.07011	0.8
131.08553	15.1
133.10115	14.8
135.08046	0.9
135.11674	37.1
137.09579	1.6
137.13264	2.0
139.11159	0.7
145.10104	14.9
147.11667	13.7
148.11964	0.5
149.13232	28.2
151.11183	1.3
153.12692	0.7
158.10809	0.6
159.11673	10.0
161.13231	13.6
163.11201	0.8
163.14809	20.0
165.12735	1.3
171.11700	0.5
173.13243	10.6
175.14812	4.2
177.12738	0.7
177.16357	5.5
179.14284	1.5
182.29181	0.5
187.14777	6.7
189.16284	1.1
201.16425	3.0
205.15797	0.8
215.17970	1.5
217.19412	0.7
219.17363	0.8
233.22597	1.0
243.21054	32.0
244.21230	0.7
253.92648	0.5
261.22107	100.0
262.22440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23455	0.3
65.69878	0.3
65.97839	0.3
70.82307	0.2
70.82644	0.7
73.82979	0.3
75.55038	0.3
77.68980	0.3
82.99858	0.4
98.97560	0.5
101.00840	1.2
116.98599	0.4
119.01911	8.2
120.01936	0.2
120.51487	0.2
121.01672	0.3
131.59462	0.3
134.99710	0.6
137.02942	2.7
138.63632	0.3
138.80159	0.3
142.03476	0.2
153.00853	0.5
158.99850	0.6
161.02921	0.6
165.99721	0.4
177.00934	15.5
178.00958	1.1
179.00642	0.9
180.00771	0.3
182.99828	0.3
187.53416	0.2
193.03992	0.3
195.01941	0.5
201.00945	1.0
217.04073	2.9
218.03593	0.9
219.01988	21.9
220.02144	1.0
221.01729	4.0
222.01918	0.6
225.00787	2.4
231.33981	0.3
237.98755	1.3
238.98248	0.4
242.03596	0.3
243.01973	6.3
261.03027	100.0
262.03162	5.6
263.03448	0.6
266.03467	0.4
279.02454	0.6
284.04645	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	261.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02421	1.1
69.92077	3.5
69.92467	2.6
84.08125	1.5
113.02134	1.9
115.44907	1.2
139.00031	1.7
169.01126	2.9
171.02602	2.2
173.04283	1.4
201.03716	5.1
229.03189	33.4
229.05386	2.4
243.04773	4.8
261.05826	100.0
261.09436	40.1
262.06412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0578
Annotation	Suprofen
Peak:m/z	Relative Intensity
71.16033	1.3
85.50845	0.7
138.40796	0.7
139.03625	1.3
146.42308	0.7
169.01012	1.8
171.02617	1.3
186.59302	0.7
198.27307	0.8
201.03706	4.4
229.03174	40.9
243.04771	5.6
261.05804	100.0
261.09399	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05495	10.4
57.07056	3.2
58.67912	2.7
59.11572	2.0
67.05484	6.8
69.03441	2.2
69.07065	29.0
70.84724	5.1
70.85070	3.6
71.04992	25.1
79.05476	5.5
81.07063	21.5
83.04974	5.3
83.08610	8.9
85.06543	21.6
86.66119	2.7
91.05479	12.3
93.07023	12.8
93.29053	2.1
95.04959	3.4
95.08619	17.2
97.06537	5.3
99.08065	2.6
105.03400	4.3
105.07027	28.9
107.08577	20.3
109.06500	6.7
109.10158	12.6
111.08073	9.9
111.11619	2.7
117.07016	9.3
119.07790	4.0
119.08581	58.2
120.09351	3.3
121.10158	15.5
123.08038	2.5
123.11706	30.9
129.06990	3.6
131.08554	13.6
133.10117	34.8
135.08008	10.7
135.11650	6.9
142.07762	3.8
143.08588	7.9
144.09314	2.9
145.10118	36.8
146.10812	2.9
147.11668	17.2
149.09615	3.7
149.13191	2.7
156.09267	2.5
156.43169	2.3
157.10129	13.0
159.11691	33.9
161.09660	3.8
161.13248	35.3
163.11087	2.8
170.10918	3.3
171.11661	18.6
173.13278	12.4
175.11232	4.8
175.14812	82.8
176.15535	8.1
177.12750	6.3
185.13211	18.9
189.12685	4.5
189.16229	5.5
190.13611	2.8
199.14835	6.2
201.16357	22.1
203.14302	9.4
208.69887	2.3
215.17982	7.9
217.19557	4.3
223.65753	2.5
241.19514	20.7
259.20566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32730	3.7
53.03947	5.8
53.31371	3.8
54.93829	4.3
55.01869	24.5
56.05037	6.2
56.96568	4.5
58.02937	3.7
58.06591	7.9
59.05011	4.8
60.04520	15.4
65.03938	7.7
67.01866	14.7
67.05499	4.3
68.05013	6.2
68.99786	7.8
69.03400	10.1
70.06601	6.2
71.18809	5.5
71.19144	7.3
72.04515	19.5
73.05296	5.1
74.06121	3.7
79.01821	4.4
79.75018	3.8
80.05023	12.3
81.03428	6.5
82.06578	9.3
83.01331	31.0
83.67525	4.6
84.04494	40.8
84.08147	8.0
85.02901	10.3
87.00816	4.0
90.05839	3.6
92.05051	4.4
93.03406	5.1
94.06640	4.4
95.01323	11.5
95.04995	9.2
96.01937	4.3
96.04485	27.7
97.02904	11.6
98.06052	15.0
98.97563	3.9
99.00812	5.0
100.03970	30.2
106.06564	5.1
108.04465	41.8
109.02885	16.6
110.06012	30.4
111.00798	17.7
111.04424	11.1
112.03949	9.2
113.02357	26.6
114.05523	8.4
115.09483	9.8
120.04504	8.8
121.02866	12.2
123.00807	14.1
123.04417	6.6
124.03909	20.3
124.95218	4.5
125.02359	12.8
126.03113	9.5
126.05545	24.0
127.03975	23.5
128.03459	9.4
128.07071	7.9
136.03943	66.8
137.02339	16.9
138.01900	6.3
138.05484	34.3
139.00296	17.7
139.03909	15.2
140.03429	16.5
140.07065	16.9
141.01823	14.2
142.05011	23.1
148.03922	10.4
149.02374	5.1
151.03970	6.6
152.03398	7.3
152.07086	7.2
153.01826	48.7
153.03008	6.0
154.04982	67.7
155.03380	10.8
156.02898	8.8
156.06494	6.3
157.01347	5.4
164.03421	51.0
165.01834	22.6
166.05040	31.8
167.03461	7.7
168.02882	5.4
168.06578	32.0
169.01332	100.0
169.02783	5.9
170.04515	8.8
171.02925	10.8
180.06564	11.0
182.04524	58.4
183.02872	16.3
183.92989	4.7
184.06058	16.0
185.00769	5.7
185.04462	8.5
192.02892	21.5
196.06076	43.4
197.04405	19.8
198.07681	8.9
199.02444	6.6
200.05652	10.6
201.03941	24.0
206.04536	6.1
210.03954	54.2
211.02441	10.3
214.07153	8.3
216.11354	12.1
224.05527	58.5
225.03912	9.6
228.05067	17.1
233.98953	5.1
242.06683	32.9
260.05270	5.8
260.07678	42.7
260.10068	7.3
260.62891	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	258.2063
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
53.46107	0.7
55.05491	3.4
57.07069	41.9
59.28168	0.7
62.06071	2.9
67.05499	9.0
67.13896	0.8
69.07054	2.2
70.65608	2.6
71.08626	21.4
76.03996	100.0
77.27311	0.9
81.07047	8.1
83.08607	5.7
85.10169	11.1
95.08600	19.1
97.10150	2.0
98.20747	0.8
98.97584	1.4
99.11739	1.0
105.07076	0.7
109.09452	1.0
109.10145	11.7
123.11678	2.0
134.99657	1.6
165.16365	1.5
183.17438	12.8
197.47583	0.8
211.92101	0.7
240.26868	1.2
252.96312	1.1
258.27917	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	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66500	2.5
75.41319	2.5
122.60515	2.3
142.38412	2.2
142.62352	3.0
259.04251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28027	1.3
68.36065	1.3
71.52439	3.2
83.43404	1.4
100.02193	4.3
137.02013	2.4
139.00017	3.5
140.03404	1.7
146.02725	10.5
158.47177	1.4
199.02147	21.4
217.01918	2.5
241.03154	9.7
259.04245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29880	0.5
52.71423	0.4
56.22068	0.4
56.96557	1.8
67.04254	2.5
69.03420	0.7
70.06564	1.7
70.17000	1.4
70.17418	0.9
72.93781	0.5
74.00654	7.5
81.07094	0.5
84.04460	0.5
84.08130	1.7
85.02897	1.0
85.27510	0.5
86.09702	1.1
90.94841	0.5
95.04953	0.4
97.02892	2.3
100.02192	99.1
109.02867	0.5
110.06022	0.4
114.05499	0.5
116.98628	0.8
118.03249	3.6
119.01871	0.6
124.08736	0.5
129.10252	0.6
130.06494	0.9
130.08609	0.8
137.02028	0.6
138.05470	0.5
138.99997	0.7
146.02690	100.0
147.11310	0.5
150.05469	0.5
153.01808	2.4
157.07611	0.5
158.04430	0.7
161.01253	1.0
177.00720	0.8
187.07535	1.0
199.02142	5.2
209.17287	0.6
213.06903	24.3
216.03902	0.6
231.02914	1.2
241.03270	2.6
259.04211	22.2
259.07434	21.2
259.10284	0.8
259.13104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12736	0.6
53.02882	0.6
56.05021	3.1
69.03379	0.7
69.72424	4.2
71.08618	19.9
73.66743	0.6
83.06092	7.4
84.04491	100.0
85.02885	2.0
88.11256	75.2
98.06036	6.3
98.20749	1.3
102.05509	2.1
126.05492	5.7
128.06195	0.7
129.06628	2.1
130.04982	76.9
144.22511	0.6
148.66803	0.6
153.13843	14.1
154.12245	69.0
171.07729	0.8
171.14903	37.2
172.06039	10.0
189.09084	0.9
199.07617	1.2
199.14386	21.1
200.12781	23.0
213.09189	0.8
213.15945	29.6
215.07018	0.8
217.08597	1.1
217.15433	17.7
231.10211	1.0
241.15450	11.2
259.09683	2.6
259.14053	0.8
259.16516	14.4
259.19034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03934	1.5
54.75511	0.7
55.01851	1.9
55.05505	10.5
56.96533	0.9
57.03417	1.5
57.07047	0.9
64.82751	0.7
65.03926	1.0
67.05497	14.3
69.03415	1.0
69.07059	6.8
71.04963	1.4
79.05486	11.9
81.07050	14.1
81.45510	0.7
83.04962	2.8
83.08625	4.3
91.05470	20.6
92.63319	0.7
93.07041	11.2
95.04972	3.8
95.08598	13.1
97.06515	1.6
97.10139	2.1
98.21464	1.3
98.97558	1.7
103.05443	1.7
105.07020	25.0
107.04931	7.1
107.08579	8.6
109.06500	4.8
109.10124	3.4
115.05457	3.2
116.06173	1.9
116.98601	2.4
117.07012	14.4
119.08573	12.0
121.06479	4.2
121.10123	5.2
123.08036	1.7
123.11707	1.0
128.06236	3.5
129.06996	9.8
130.07758	2.8
131.04933	1.8
131.08553	35.8
133.06479	12.4
133.10109	8.9
134.99625	1.8
135.08025	3.1
135.11659	3.1
137.09610	1.1
141.06970	3.9
142.07722	2.9
143.08548	11.9
144.05699	2.4
144.09297	1.6
145.05385	1.1
145.06470	14.6
145.10106	29.3
146.07262	1.4
147.08046	11.7
147.11681	6.8
149.09604	2.0
149.13206	1.2
154.07709	0.9
155.08540	6.7
156.09367	1.0
157.10106	11.2
158.07263	2.9
159.08041	13.0
159.11678	13.7
160.08817	0.9
161.09605	16.5
161.13217	1.7
163.11143	2.7
168.09341	1.5
169.10106	6.8
171.11644	7.2
173.09612	17.5
173.13260	4.9
175.11145	8.1
175.14778	1.6
177.12718	1.3
183.11667	8.2
185.13239	2.8
187.11150	10.7
187.14821	1.9
189.12759	3.3
193.06088	0.7
197.13254	5.8
198.13928	0.7
199.14833	1.8
201.12720	6.5
201.16333	1.2
211.14870	1.4
213.16373	2.3
215.14305	5.3
215.17947	1.4
229.15897	1.1
229.19449	4.1
239.17929	12.1
257.18979	100.0
258.19327	3.1
258.21591	0.7
269.34067	0.6
274.97461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1124
Annotation	8-O-Tigloyldiderroside
Peak:m/z	Relative Intensity
53.03935	0.4
53.64601	0.3
55.05505	0.8
56.96550	0.5
57.07060	0.4
65.03944	0.4
67.05497	2.4
68.05836	0.5
69.07069	0.7
69.35325	0.3
69.80238	2.5
76.32713	0.4
79.05467	1.2
81.07047	1.6
86.23526	0.3
91.05470	1.1
92.05795	0.9
93.07024	0.6
95.04955	0.9
95.08595	1.0
96.08863	0.3
105.07030	0.4
106.06567	0.5
107.10756	0.4
113.09728	0.4
115.05462	0.9
117.07041	1.7
118.07353	1.3
123.04443	0.4
128.06230	1.1
129.07062	2.0
130.07353	1.7
131.08580	2.6
132.08911	2.1
132.95810	0.4
133.10101	0.4
134.05977	0.9
134.10400	0.4
134.99603	0.4
136.07591	0.5
137.05978	0.7
141.07001	1.1
142.07396	0.6
143.08537	1.4
144.08043	2.1
144.08998	0.6
145.10129	1.8
146.10452	2.4
151.45383	0.3
152.06207	0.5
153.06998	2.9
154.06482	0.8
154.07678	0.5
155.07364	0.8
155.08511	2.8
156.08965	0.7
157.10112	0.6
158.06024	0.6
158.09494	0.7
158.10596	0.8
158.97426	0.6
159.08119	0.4
159.10457	0.6
159.11722	1.0
160.12004	2.3
167.44283	0.4
168.08006	0.6
169.08865	0.9
170.05945	0.6
170.07283	0.7
170.09479	2.0
171.08107	0.6
171.11632	0.6
172.05287	0.5
172.07561	9.3
172.09015	0.5
172.12032	1.6
173.08401	0.7
174.13594	0.7
175.07539	0.4
180.08096	1.5
181.06517	1.6
182.06024	1.1
183.06793	1.6
183.08073	1.3
183.11638	0.4
184.07515	0.8
184.12056	2.2
185.09604	0.5
186.05537	0.8
186.09106	2.6
187.09898	2.7
190.06706	0.4
190.08609	0.8
196.07571	2.0
197.08345	2.6
198.06889	0.7
198.09148	5.4
198.13577	1.2
199.07631	0.7
200.07040	10.7
208.07617	0.4
210.05449	1.2
211.06241	0.5
213.09132	0.6
214.08603	4.4
215.09393	5.3
216.97975	0.5
224.07100	1.5
225.07764	1.9
226.06638	0.3
226.08644	6.9
228.06546	17.5
230.11728	1.8
230.24757	0.5
234.99005	2.1
240.18237	2.5
242.08125	4.3
243.08910	15.3
252.99985	0.4
258.11252	100.0
258.19067	2.9
259.11636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.69529	1.4
52.33678	1.9
55.05511	9.6
56.96548	4.6
57.03426	2.9
57.07029	3.2
67.05171	2.3
67.05502	36.9
69.07069	11.3
70.03364	8.1
71.04980	4.7
79.05492	10.7
81.07056	25.4
81.09979	2.2
83.08606	3.8
85.06532	4.1
85.37276	1.7
91.05476	29.2
93.07050	8.4
95.08617	9.9
97.10127	2.1
97.52434	1.7
98.20796	2.2
98.97568	7.2
105.07007	15.9
107.08570	2.5
109.10140	6.3
115.05408	4.3
116.06223	3.7
116.98607	8.3
117.07007	60.3
119.08602	8.2
121.10122	5.0
121.56190	1.6
125.09628	1.8
128.06204	13.0
129.06996	50.1
130.07751	4.6
131.08560	99.5
133.06496	3.9
133.10135	13.6
134.43127	1.7
134.99648	10.4
135.11720	2.0
141.06975	23.6
142.07770	7.7
143.08549	31.1
144.08080	2.6
144.09221	1.7
145.10118	89.8
147.08020	2.5
147.11714	2.9
149.09612	2.6
153.07008	3.9
154.07762	5.8
155.07355	2.9
155.08545	27.7
156.09326	2.3
157.10126	31.7
159.08026	5.2
159.11682	54.2
161.09644	2.5
166.42761	1.8
167.08583	3.7
168.09285	3.9
169.10120	27.4
171.11688	58.2
172.07570	7.4
173.09619	2.1
173.13249	22.8
175.11134	4.4
183.06738	2.9
183.11682	47.5
184.69789	1.8
185.11797	1.7
185.13197	8.6
195.11655	2.7
196.07518	3.5
196.12561	1.8
197.08324	2.8
197.13231	31.2
198.09154	4.9
198.13805	1.7
199.14853	2.2
200.07031	8.7
201.16331	2.1
211.14799	7.0
213.16426	2.5
214.08600	4.1
215.09343	4.7
215.14192	2.0
226.08633	6.3
228.06586	14.9
234.98857	3.4
239.17935	58.2
242.08168	3.2
243.08890	14.9
257.12814	2.3
257.16156	3.2
257.18979	60.7
257.22784	3.6
258.11255	100.0
274.97482	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05498	12.7
56.96553	4.5
57.03421	4.1
57.07063	7.0
60.08152	14.7
67.05507	23.4
69.07059	4.0
69.35949	29.3
79.05478	12.9
81.07067	18.2
81.07445	2.9
81.23898	2.9
83.08607	5.9
91.05475	20.0
93.07043	16.9
95.08615	23.8
98.97566	14.1
105.07041	23.4
107.08579	5.2
109.10155	8.8
115.05484	5.1
116.98637	23.0
117.07012	30.4
119.08586	15.9
121.10110	8.0
128.06216	4.6
129.06975	11.5
130.07777	4.2
131.08563	33.9
133.10123	17.8
134.99660	24.8
141.06970	4.7
143.08588	15.4
145.06450	4.7
145.10101	65.6
147.11676	10.5
153.00705	5.8
155.08568	4.7
157.10115	14.8
158.01219	3.4
159.11671	27.0
161.13269	3.8
169.10123	12.4
171.11629	17.2
173.13191	7.0
175.14789	3.0
183.11684	11.8
185.13261	5.8
187.11143	21.0
187.14801	8.9
197.13242	13.9
211.01030	3.1
213.16359	3.2
217.02301	3.2
229.19492	38.1
239.17958	15.4
250.55771	3.1
250.97214	3.6
257.18994	100.0
257.22168	5.7
257.22693	5.3
257.26617	8.9
257.30283	65.4
262.68713	3.4
274.97485	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	257.1896
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03932	1.6
55.05491	4.5
57.07047	2.7
67.05497	6.8
69.07043	4.2
70.20776	1.8
70.21183	4.2
71.04964	5.2
72.08129	4.1
79.05479	5.3
81.07034	6.0
83.04967	1.3
83.08585	2.1
83.91468	1.2
85.06525	4.4
90.09153	3.3
91.05457	7.4
93.07040	12.3
95.04942	4.6
95.08590	10.3
97.06510	2.4
98.97554	4.0
99.08035	1.8
105.07020	18.7
107.08578	14.0
109.06498	6.4
109.10162	9.1
111.08060	2.7
116.98600	3.7
117.06985	5.0
118.98021	1.1
119.08563	19.2
121.06519	1.7
121.10125	55.1
123.08040	4.1
123.11652	1.8
128.06190	2.3
129.06993	4.9
130.07784	2.2
131.08559	13.2
133.10114	9.2
134.99669	1.7
135.08035	13.2
135.11644	2.8
137.09578	5.0
141.06932	2.1
142.07747	6.1
143.08549	18.1
144.09314	2.5
145.10094	18.2
147.11658	3.5
149.09587	4.5
151.11214	1.5
153.07121	1.1
155.08554	5.7
156.09297	4.1
157.10107	23.0
158.10869	4.2
159.08064	2.1
159.11664	21.3
161.09572	2.4
161.13275	2.0
163.11104	3.0
168.09348	2.3
169.10086	8.0
171.11676	13.0
172.08800	1.4
173.09641	3.5
173.13257	26.2
174.14012	3.4
175.11104	3.8
175.14786	3.0
177.12732	1.6
182.10779	1.3
183.11658	10.9
184.12416	2.7
185.13242	2.0
187.11191	6.6
187.14812	2.8
188.11806	1.3
189.12770	3.5
195.11615	1.1
197.13243	9.8
198.14090	1.6
199.14789	32.2
201.04538	1.1
201.12741	7.8
211.14810	1.7
213.16370	13.4
214.17213	3.3
215.14272	3.8
215.17921	8.9
224.15596	1.7
227.14267	1.9
239.17905	14.8
240.27628	1.1
257.18970	100.0
257.26553	2.3
258.19293	2.8
258.27890	21.6
274.97391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01852	1.7
55.05509	14.6
56.96553	2.6
57.03407	2.6
57.07058	3.8
59.23621	1.5
67.05495	32.3
69.07067	9.6
70.77452	2.7
70.77773	2.8
71.04978	3.7
79.05482	10.9
81.07043	24.9
83.08606	4.4
85.06518	3.5
91.05473	24.9
93.07015	6.5
95.08601	14.6
97.10178	2.6
98.97576	4.1
105.07023	19.1
107.08588	4.8
109.10144	6.8
115.05450	6.2
116.06220	3.8
116.98602	4.4
117.07004	47.1
119.08569	9.0
121.10140	6.5
128.06206	8.7
128.65292	1.8
129.06993	46.0
130.07773	5.1
131.08553	100.0
133.10130	14.4
133.80244	1.6
134.99605	6.0
135.08049	2.5
137.09581	2.3
141.06966	19.0
142.07727	7.5
143.08546	32.0
143.09650	2.1
145.10106	90.2
147.08034	3.7
147.11673	3.1
153.07022	1.9
154.07787	4.6
155.08534	22.5
156.09364	2.5
157.10101	37.2
158.10510	2.4
159.08080	6.4
159.11676	54.5
160.12016	2.5
161.09616	4.5
162.62436	1.9
167.08588	3.1
168.09315	5.2
169.10101	22.9
171.11687	49.6
173.09584	2.8
173.13243	26.6
175.11168	5.0
181.10147	1.9
182.10890	2.0
183.11667	42.8
185.13200	8.2
187.11179	3.7
187.14731	2.8
195.11713	1.9
196.12502	2.2
197.13232	26.0
199.14792	6.3
201.12708	2.7
211.14816	5.7
213.16356	4.7
215.17844	2.1
229.19548	3.6
235.68085	1.7
239.17920	49.7
240.18250	1.7
257.11649	2.9
257.18991	81.8
257.26746	4.8
258.28000	4.8
274.97498	4.5
275.05801	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01842	1.8
55.05508	7.0
56.41993	1.3
56.96544	3.5
57.03431	13.9
57.07055	2.4
67.05491	14.1
69.07068	6.1
70.50163	4.9
72.08151	1.6
79.05487	8.0
81.07046	12.0
83.08587	4.9
85.06525	2.5
88.07634	1.7
90.09178	2.3
91.05460	18.5
93.07029	9.4
95.04942	2.2
95.08591	11.9
98.97556	7.5
99.08076	6.3
102.26145	1.1
105.07016	17.2
107.08558	6.7
109.06496	2.6
109.10139	2.9
115.05429	2.7
116.06196	1.7
116.98622	8.8
117.06995	38.2
119.08561	11.9
121.10130	3.6
128.06194	7.0
129.06027	1.9
129.06985	35.1
130.07739	3.8
131.08554	34.7
133.10098	5.2
134.99629	5.2
135.11635	1.8
141.06969	7.2
142.07733	4.3
143.08548	22.7
144.09297	3.2
145.10098	58.7
147.08028	1.8
147.11659	6.4
153.00725	1.6
154.07677	1.2
155.08568	7.6
156.09315	1.7
157.10109	28.1
159.11670	35.8
161.09627	3.5
161.13168	2.4
163.11159	2.0
168.09344	1.4
169.10146	13.4
170.10878	3.3
171.11705	12.3
173.13226	14.2
175.11113	3.8
183.11661	12.9
185.13231	82.7
186.13643	2.3
187.11273	2.6
197.13205	10.5
199.14783	4.4
201.12790	2.6
201.16345	5.8
209.25925	1.4
210.13974	1.5
211.14862	4.0
213.16335	3.0
215.14296	1.3
229.19463	7.7
239.14209	1.3
239.17917	26.5
257.18976	100.0
257.26550	16.9
258.19284	2.2
258.27890	15.8
274.97525	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	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.0
56.05028	4.8
56.96558	1.4
57.03436	5.8
57.07058	1.1
61.02916	2.4
64.11578	0.9
68.05018	1.9
69.03429	5.5
69.04558	1.2
71.01337	2.3
71.04994	1.2
71.59712	1.2
73.02905	4.0
74.50449	0.8
76.07592	1.0
80.04998	2.4
81.04527	2.9
83.06105	16.0
85.02892	5.5
86.06059	9.2
87.04457	1.7
88.07615	1.4
94.06576	1.5
97.02873	3.8
97.07655	7.7
99.09218	3.3
100.02478	1.7
101.02394	2.4
102.09158	1.5
103.03924	1.1
109.03979	2.2
109.07634	6.1
110.07150	1.9
111.09161	1.1
114.05519	30.7
115.02409	0.9
115.03896	3.3
117.03979	2.8
118.03529	1.3
119.01933	4.6
124.03945	100.0
124.08679	5.4
127.04116	1.7
127.05022	12.0
127.08626	6.1
129.01816	3.2
133.03493	1.3
133.04959	2.9
134.94559	1.0
135.05026	4.4
137.02960	1.7
140.05595	1.4
141.76294	1.0
142.34846	1.0
143.03357	1.6
145.03456	3.1
150.06638	1.5
155.08145	74.7
157.01176	3.1
158.06570	2.4
161.02969	2.3
161.04405	1.9
163.04514	1.1
166.09753	1.1
170.09305	1.2
184.04570	2.2
186.07652	1.3
187.00797	1.1
189.02431	2.1
189.03937	5.2
196.07231	1.6
203.05591	1.5
207.03482	1.5
210.02501	1.4
210.12233	1.2
212.04085	1.3
212.10326	1.5
238.07278	1.2
251.02507	4.0
256.03217	2.0
256.07950	3.0
256.12952	22.6
256.26312	11.7
274.04172	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	253.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44770	3.6
50.77625	3.8
65.38006	3.6
71.09010	7.7
75.28191	3.4
112.89589	29.5
161.38557	3.9
194.91943	12.0
253.00801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.0
70.65897	5.4
71.01338	7.6
75.04482	14.1
76.14821	2.4
81.61095	2.0
87.04476	4.2
89.02370	3.0
103.03934	17.3
108.33998	1.9
131.03372	4.6
159.02892	51.0
161.04314	3.0
187.02357	4.0
219.02840	4.8
219.04987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
56.96557	4.9
59.05003	3.8
61.02909	8.2
65.23236	3.1
67.39338	3.5
69.03441	3.1
70.06577	11.7
71.01349	41.4
71.58182	5.2
75.04456	12.6
85.02889	5.9
86.09693	5.0
98.06036	8.8
98.97627	3.4
98.98462	7.2
101.02354	8.9
103.03941	15.7
110.07162	6.4
116.03382	3.5
117.01863	8.0
117.69231	3.2
119.03436	4.9
125.02319	4.4
125.07054	6.7
131.03383	42.6
133.04942	6.7
134.06047	4.0
141.00197	3.5
141.01730	4.5
145.01288	4.3
145.04973	12.5
146.97325	3.9
149.04568	3.1
152.07108	3.4
153.01692	3.3
157.04951	14.0
159.02867	100.0
162.40707	3.0
163.05975	4.1
164.07002	3.2
167.11787	11.7
180.49789	4.0
191.05513	11.6
194.12834	5.8
195.11259	36.7
195.90182	3.2
201.03923	6.8
219.04955	55.6
237.06013	9.4
254.16301	27.9
264.06647	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	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	5.2
71.01331	8.7
75.04471	20.1
87.04443	7.3
89.02345	3.8
95.25350	2.2
98.21130	16.5
98.98463	2.5
101.84399	2.3
103.03929	27.2
120.79630	2.3
131.03398	10.8
159.02876	63.5
159.04102	4.9
187.02313	4.6
218.07901	2.4
219.04971	100.0
242.86066	2.3
265.41046	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	254.161
Annotation	CI 4
Peak:m/z	Relative Intensity
57.95529	0.4
69.79230	1.1
69.79642	1.4
70.06583	15.0
70.69998	0.4
71.04974	0.4
74.23638	0.4
82.06576	0.6
87.27331	0.4
87.31783	0.5
97.07634	1.4
98.06044	14.0
110.07166	0.5
112.08721	0.8
113.30058	0.4
122.09660	2.3
125.06229	0.9
125.07104	16.4
154.07394	0.8
166.13342	1.2
167.10336	0.7
167.11789	18.2
194.12843	9.5
195.11270	100.0
196.11574	1.8
212.14024	0.8
220.10779	0.8
237.13434	3.8
250.01727	0.4
254.16096	83.8
255.16463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.2
67.05498	14.1
69.07051	3.6
69.69115	7.1
77.25616	1.4
79.05488	11.4
81.07047	15.5
83.08617	3.3
91.05476	11.3
93.07047	13.9
95.04931	2.0
95.08596	21.8
97.29505	1.4
105.07017	24.1
107.08595	14.4
109.10131	10.5
112.88438	1.4
117.07041	7.8
119.08580	11.3
121.10125	6.1
129.06998	2.5
131.08542	14.8
133.10107	13.8
135.11676	4.6
143.08554	4.5
145.10110	19.0
147.11670	22.8
149.13208	2.1
157.10129	4.2
159.11679	47.7
161.13217	10.1
161.52557	1.3
171.11661	4.7
173.08238	1.9
173.13243	15.8
175.09669	1.7
175.14691	2.2
185.13216	6.4
187.14803	4.0
199.14787	8.7
213.16396	4.5
214.10858	2.5
227.17886	2.5
255.13550	5.3
255.21037	100.0
256.12994	3.9
256.21103	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40071	0.4
56.96562	0.4
61.09057	0.4
68.69302	0.4
69.66245	2.7
70.02939	0.9
71.04089	0.4
78.17152	0.3
79.05429	0.5
87.00817	2.1
91.05476	1.3
93.07027	1.8
95.04976	0.6
98.98473	2.7
103.05462	8.1
105.07016	0.8
118.06536	10.1
118.07348	0.8
120.08099	100.0
121.08458	0.8
128.04971	1.5
131.04898	0.7
136.06212	1.5
140.11407	0.4
145.02866	0.4
146.06003	18.1
147.06357	0.9
160.07516	0.5
164.07050	0.6
166.08627	1.4
177.05440	1.1
188.07056	15.5
192.06618	1.0
196.05968	0.4
204.32825	0.4
205.98721	0.9
206.08116	55.5
234.07669	0.9
252.08797	0.6
252.12190	0.5
252.14455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89252	0.7
56.96283	1.7
56.96559	24.4
62.97158	0.9
70.10509	4.0
71.95262	3.1
72.96041	0.9
74.97602	1.0
83.33723	0.8
91.05477	2.8
97.96838	0.9
98.98461	8.7
100.52586	0.8
137.02655	0.8
145.96693	0.9
146.97456	1.9
147.03294	1.4
155.03806	2.3
163.97701	4.8
169.99057	1.2
171.03238	1.4
173.04904	4.5
181.05331	1.9
181.98840	1.5
183.06952	2.2
185.04811	1.3
185.08447	1.3
191.00569	0.7
191.05898	1.0
196.06096	0.8
199.06415	13.5
201.07961	7.4
201.09299	0.7
203.05896	2.4
203.09503	1.1
205.98764	9.8
211.06371	9.0
211.07996	0.9
217.07454	24.7
219.08998	7.1
221.06772	1.1
222.07996	1.8
225.05022	0.8
229.00354	2.8
229.07454	100.0
235.08617	1.0
240.09030	0.9
247.08524	94.0
248.08943	1.3
252.09048	16.2
270.10172	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	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
52.06173	0.3
55.01834	0.5
55.05509	0.4
55.28215	0.3
56.96543	0.5
57.03422	0.5
67.05487	1.2
69.03408	1.0
69.07073	0.3
70.26678	0.8
79.05483	0.9
81.07023	1.1
83.04974	0.4
91.05473	8.6
91.63136	0.3
93.07037	0.8
95.04951	0.8
95.08590	0.7
97.02866	0.7
97.86079	0.4
97.86982	0.3
98.97578	0.7
103.05451	1.6
105.07020	3.4
107.04948	2.0
107.08556	0.6
109.10120	0.6
114.23666	0.4
115.05435	5.2
116.06222	3.5
116.98585	0.5
117.07022	2.9
118.04091	0.3
118.07777	0.4
119.04903	1.2
119.08554	1.1
121.06464	0.7
123.04389	0.6
128.05260	0.5
128.06207	10.5
129.06996	20.3
130.07776	1.1
131.04874	2.7
131.08549	18.1
132.05695	0.9
133.06467	3.3
133.10120	1.4
135.07997	0.4
139.03912	1.0
139.05408	0.7
141.06972	10.3
142.07765	4.3
143.04877	1.1
143.08559	2.8
144.05682	9.7
145.06470	6.3
146.03665	0.4
146.07236	3.1
147.04413	2.8
147.08055	0.8
149.13234	0.4
152.06161	1.2
153.05635	0.3
153.06938	2.1
155.06020	1.4
156.05682	1.8
157.06468	10.1
158.07262	1.9
159.04420	1.4
159.08037	29.6
160.05162	1.3
160.08693	0.5
161.05968	4.6
161.09599	7.9
163.04021	0.3
165.01776	0.6
165.05339	0.6
167.07048	1.6
169.06331	1.6
169.07736	2.1
170.07239	8.9
171.04411	1.9
171.08018	6.1
172.05174	3.4
173.05969	4.5
174.06715	3.2
175.03877	1.0
175.07541	3.1
175.11046	0.4
177.05472	0.6
178.06194	2.0
179.03415	0.9
181.06480	0.4
184.05200	0.8
185.05884	1.1
186.06685	0.6
187.07527	18.3
188.04681	0.5
188.08275	1.2
189.05457	4.6
189.09067	8.6
190.06187	1.1
191.06976	1.5
193.04875	1.0
193.08504	0.9
198.06749	2.1
199.07462	2.9
201.05453	2.0
203.03329	0.8
203.07047	6.5
204.07794	13.9
205.08516	2.2
206.09341	1.0
207.02849	1.0
216.07796	3.6
217.08641	0.9
218.09389	1.3
219.06499	0.4
219.10114	2.1
221.04411	1.2
221.08073	1.0
221.11649	3.4
228.10078	0.4
231.10150	7.4
231.13683	0.5
234.08913	0.9
249.04185	3.2
249.11191	100.0
250.11514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
57.03427	0.7
67.05486	0.8
69.03403	0.9
69.07047	0.6
70.85495	1.5
74.55905	0.5
79.05476	0.8
80.44069	0.5
86.09697	1.7
87.10011	1.2
91.05473	8.5
93.07026	0.6
95.04930	0.5
97.02862	2.0
103.05461	1.1
105.07032	3.3
107.04933	1.8
115.05437	6.0
116.03461	0.6
116.06217	4.7
117.07002	2.6
119.04939	0.9
119.08551	0.7
121.06495	0.7
123.04401	0.7
128.06219	10.6
129.06998	20.7
130.07767	1.0
131.04884	3.1
131.08563	17.9
132.05682	0.9
133.06450	2.8
133.10121	2.3
135.04384	0.5
135.94757	0.5
136.45036	0.5
139.05418	0.6
141.06979	10.7
142.07770	4.2
143.04948	0.9
143.08522	3.8
144.05693	10.3
145.06476	7.4
146.07259	4.2
147.04384	1.9
152.06189	1.0
153.06973	2.4
155.06021	2.2
156.05669	2.2
157.06479	8.9
158.07204	2.2
159.04436	0.9
159.08043	33.4
160.05182	1.1
161.05969	4.2
161.09621	7.6
167.07031	1.6
169.06421	1.9
169.07640	1.8
170.07239	8.6
171.04391	1.3
171.08012	8.1
172.05180	3.1
173.06013	4.3
174.06740	3.2
175.07547	3.9
177.93045	0.6
178.06235	0.9
185.05972	1.2
185.09926	1.0
186.06816	0.9
187.07542	19.6
188.08310	1.3
189.05498	4.1
189.09087	9.2
190.06296	0.9
191.06989	1.5
192.07828	0.8
193.08556	1.4
198.06752	1.6
199.07487	2.8
201.05418	2.4
203.06996	5.7
203.10989	1.8
204.07805	13.8
205.08626	2.1
206.09279	1.0
216.07831	4.5
217.08638	1.0
218.09357	1.6
219.10173	1.7
221.08047	0.6
221.11674	3.6
231.10158	6.8
231.17221	0.6
234.08928	1.5
249.11203	100.0
250.11592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1482
Annotation	Lyratol D
Peak:m/z	Relative Intensity
52.67069	0.7
53.03929	1.9
55.01861	1.1
55.05502	4.2
56.96552	3.4
57.07050	2.9
59.04995	0.7
65.03916	1.4
67.01862	7.8
67.05496	18.6
68.99769	1.0
69.03070	1.2
69.03422	17.4
69.07065	4.3
70.78369	1.9
70.78710	0.7
71.04971	2.3
79.05479	8.2
81.03408	1.1
81.07050	10.8
83.04963	8.7
83.08600	3.2
85.06538	1.2
91.05472	28.1
92.05791	0.8
93.07031	12.3
95.04958	20.1
95.08595	9.1
97.02869	1.9
97.06526	1.2
98.97557	2.6
99.08096	0.8
103.05460	1.6
105.07019	11.2
107.04924	3.5
107.08575	10.0
109.02879	4.9
109.06493	5.3
109.10143	7.1
110.07287	1.1
111.04447	5.8
111.08057	3.1
113.05975	1.2
115.05437	3.1
116.06230	3.2
116.98576	3.0
117.07000	5.3
119.04921	3.7
119.08566	35.7
121.06480	7.3
121.10125	6.2
122.07264	1.1
123.08069	3.4
123.11722	0.9
125.09547	0.8
128.06216	4.5
129.06999	11.1
130.07730	0.9
131.08536	10.7
132.05685	1.0
133.06476	3.1
133.10100	8.3
134.99641	2.7
135.04361	0.8
135.08052	5.6
135.11684	1.0
137.05971	3.5
137.09602	9.6
139.07516	1.1
141.06969	3.6
142.07735	2.0
143.08524	3.7
144.05666	3.1
145.06480	4.0
145.10097	3.1
146.07225	1.4
146.99646	0.9
147.04372	3.2
147.08028	100.0
147.11674	4.9
148.08344	2.4
149.09572	4.5
149.13199	0.7
151.03806	1.3
151.11191	1.1
153.01854	1.0
155.08542	1.1
156.09302	1.3
157.06525	3.4
157.10097	2.4
158.07237	1.3
158.99644	1.4
159.08047	10.2
159.11717	1.2
161.06006	3.4
161.09608	8.1
161.13208	5.4
165.05423	1.8
165.06810	0.9
165.09094	2.8
170.07283	3.0
170.10889	1.7
171.08003	2.6
171.11649	4.2
172.05153	1.6
173.05962	1.4
173.09645	1.2
174.06793	1.1
175.03918	1.2
175.07520	15.7
175.11124	1.3
175.14799	2.1
177.00705	2.3
177.05391	1.1
179.03394	2.8
185.13271	2.8
187.07480	5.5
187.11095	1.3
189.05440	1.8
189.09082	6.2
189.12711	11.4
189.16414	0.8
193.08595	1.3
193.12129	1.0
195.11610	1.1
198.10402	0.8
199.07486	0.9
203.03349	1.9
203.07033	2.0
203.14285	6.8
204.07744	4.0
207.02898	1.6
207.13837	0.8
213.12695	6.0
216.07722	0.8
217.08502	0.9
219.09988	1.7
221.04428	1.4
221.11768	0.9
231.10179	1.9
231.13766	15.7
231.17281	1.0
249.03938	9.5
249.07404	1.4
249.11208	32.0
249.14825	16.1
249.18507	3.2
250.11478	1.1
250.15102	0.7
267.09058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03936	1.1
55.01878	1.7
55.05503	3.1
56.96555	2.7
57.03419	0.9
65.03933	1.0
67.05497	5.2
69.03417	3.6
69.07069	3.7
71.04992	2.0
71.12478	1.6
74.03923	0.7
79.05482	5.2
79.70625	0.7
81.07058	8.9
83.04972	2.7
83.08614	1.3
85.06522	1.4
90.39063	0.7
91.05478	13.7
93.07034	8.1
93.99682	0.7
95.04983	4.3
95.08618	6.3
97.02896	1.5
97.06536	1.0
98.97578	2.3
103.05437	2.0
105.07027	11.6
107.04951	2.7
107.08588	4.9
108.08877	0.7
109.06525	3.7
109.10121	3.5
111.04350	0.8
111.08078	1.1
115.05446	6.9
116.06258	4.1
116.98628	2.7
117.07053	5.6
118.07810	0.8
119.04910	1.5
119.08578	10.2
121.02860	2.3
121.06490	5.1
121.10121	5.1
123.08051	1.7
125.05937	0.8
125.09626	0.9
127.72033	0.7
128.06227	11.7
129.07007	24.1
130.07805	1.1
131.04901	2.4
131.08566	20.5
132.05728	1.1
133.06474	5.1
133.10115	9.1
134.99648	2.6
135.08054	2.0
135.11703	1.4
137.05977	0.8
137.09624	2.6
141.06975	12.0
142.07794	4.5
143.04848	1.0
143.08551	6.7
144.05690	8.7
145.06465	8.6
145.10124	3.2
146.07231	4.2
147.04393	4.4
147.08063	3.5
147.11688	4.9
149.09662	3.4
149.13335	1.1
151.03955	0.9
152.06172	1.8
153.06993	2.5
155.06059	1.3
156.05707	1.9
157.06493	10.1
157.10124	1.8
158.07254	2.5
159.04442	1.4
159.08054	33.4
159.11664	1.6
160.05240	1.7
160.08742	0.9
161.06010	4.8
161.09618	10.1
161.13260	5.0
165.05495	1.2
165.09097	1.2
167.07018	2.0
169.06375	1.7
169.07614	2.1
170.07275	9.5
170.10849	0.9
171.04344	1.2
171.08058	7.1
171.11703	4.9
172.05161	4.1
173.06004	4.9
173.13243	0.8
174.06729	3.3
175.03899	2.1
175.07503	3.4
175.11205	4.0
175.14792	2.1
177.00716	1.1
177.08908	0.9
179.03360	2.9
184.05228	1.3
185.06003	0.9
185.13271	1.8
187.07530	19.1
188.08246	2.0
189.05464	5.8
189.09120	10.5
189.12686	4.2
189.16296	1.0
190.06271	2.5
191.06955	1.7
192.07887	0.8
193.08566	1.5
198.06689	2.4
199.07529	2.9
201.05473	1.9
203.03369	2.0
203.07037	6.6
203.14340	4.0
203.18129	0.9
204.07808	14.5
205.08522	1.2
206.09303	1.5
207.02959	1.9
207.10344	0.9
207.13823	1.8
213.16379	0.9
216.07843	4.0
217.08661	1.3
217.12225	1.9
218.09444	1.2
219.10092	2.4
221.04521	1.3
221.11739	2.4
231.10136	7.8
231.13840	2.2
231.17409	1.6
234.09041	1.0
237.33696	1.0
249.04012	10.9
249.11223	100.0
249.14854	19.1
249.18504	3.3
249.22301	1.1
250.11581	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05472	1.4
56.96544	2.0
57.03406	1.1
65.03954	1.1
67.05491	3.0
69.03410	3.2
69.07056	1.5
71.04978	1.1
71.58411	1.2
79.05464	2.9
81.03347	1.2
81.07048	2.3
83.04948	3.2
84.04470	1.3
85.02890	2.2
91.05464	13.7
93.07018	4.1
94.35770	1.2
95.04950	2.5
95.08587	2.3
97.02885	9.0
103.05457	2.6
105.07018	9.5
107.04913	3.3
107.08583	3.3
109.06458	1.1
109.10114	1.0
110.02316	0.9
111.04451	1.0
115.05434	7.8
116.06197	4.7
117.07001	6.0
119.04920	1.9
119.08567	5.9
121.06477	3.3
121.10094	1.8
123.00687	1.0
123.04439	1.2
123.08017	2.1
128.06210	10.2
129.06029	1.1
129.06985	21.9
130.07732	1.6
131.04874	3.3
131.08545	19.8
132.05714	1.6
133.02838	1.2
133.06456	4.4
133.10139	6.5
135.08017	3.8
137.02269	1.0
137.05984	2.0
137.09631	2.0
141.06972	12.5
142.07753	3.6
143.04919	1.4
143.08537	3.3
144.05699	7.9
145.06451	9.6
145.10069	1.9
146.07230	2.2
147.04407	5.0
147.08022	2.7
147.11685	2.5
149.09592	2.9
151.03873	1.8
152.06161	1.7
153.06915	1.5
155.06078	1.4
157.06473	10.4
157.10037	2.1
158.07236	1.7
159.04388	2.6
159.08020	30.6
159.11711	1.5
160.05180	2.0
160.08823	2.0
161.05978	5.9
161.09566	10.2
165.09052	1.4
167.07072	1.2
169.06386	2.1
169.07669	2.3
170.07265	8.7
171.04265	1.2
171.08040	7.7
171.11575	1.4
172.05167	4.3
173.05948	4.3
173.09557	1.5
174.06674	3.6
174.11482	3.6
175.03925	1.8
175.07524	3.8
175.11163	2.8
177.05428	1.6
177.12642	1.2
178.06161	1.3
179.03355	2.3
181.01244	1.1
187.03815	1.0
187.05911	1.1
187.07523	21.2
189.03909	1.1
189.05354	6.4
189.09065	9.5
189.12700	3.0
190.06216	2.3
190.12956	1.2
191.06912	1.4
191.10583	1.4
191.14333	2.5
193.08571	3.1
198.06784	1.3
199.07512	2.0
201.05435	2.1
203.03311	2.1
203.06956	6.3
203.15364	3.2
204.07796	12.0
205.08545	2.1
205.12166	1.8
213.12610	1.2
216.07713	2.5
217.04875	1.8
217.08505	1.1
219.10101	3.0
221.04411	2.2
221.11723	4.8
231.10027	6.2
231.13733	1.0
231.14873	1.2
234.08858	1.4
249.04044	8.6
249.11185	100.0
249.15259	7.1
249.18607	2.6
250.11493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03926	1.0
55.01844	3.5
55.05265	1.4
55.05508	15.8
56.96542	3.8
57.03408	1.6
57.07072	5.0
65.03904	1.0
67.05499	26.9
69.03411	1.5
69.07066	13.5
71.04964	2.8
71.08596	2.0
71.56087	1.4
79.05484	28.5
81.07047	34.6
83.04968	5.2
83.08614	4.5
83.26975	0.8
85.06518	1.9
91.05473	18.1
93.07034	37.5
95.04967	12.2
95.08599	22.0
97.06509	2.9
97.10139	3.4
98.98459	2.4
100.84399	0.9
104.99244	1.4
105.07021	17.9
107.04946	7.8
107.08586	23.0
108.05247	1.0
109.06509	6.4
109.10143	11.0
111.08073	2.0
116.98659	1.0
117.07012	6.0
119.08571	12.0
121.06525	6.8
121.09309	1.3
121.10130	19.4
123.08050	3.9
123.11677	3.5
129.06976	1.6
131.08560	9.6
133.06525	1.3
133.10124	10.4
135.08058	5.1
135.11678	14.2
137.09618	4.3
137.13246	1.0
139.11270	1.2
144.09447	0.9
145.10098	9.0
147.11685	7.9
149.09604	5.8
149.13231	7.6
151.11180	5.8
159.11670	7.3
161.13243	3.7
163.11179	7.4
163.14784	2.5
165.12759	3.2
170.02509	0.9
173.09511	0.8
173.13261	7.0
175.14752	1.9
177.12701	2.8
179.14272	0.8
187.14809	3.0
189.16327	2.1
191.14282	5.0
201.16360	1.3
201.69746	0.9
205.15984	1.1
212.07701	0.9
219.21147	1.2
229.19501	8.2
247.02423	1.1
247.20544	100.0
248.07007	3.6
248.20828	3.0
265.13086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58098	1.1
52.17833	1.1
57.61488	1.3
58.34135	1.2
70.85236	4.0
73.26411	1.2
90.98288	1.2
167.03159	1.8
187.02242	1.6
215.62109	1.4
229.03192	29.6
247.04243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03928	3.6
53.85921	1.8
55.05488	3.5
61.98819	1.9
65.03914	3.0
67.05499	3.5
69.03423	19.6
71.23419	4.4
79.05463	6.8
81.07018	4.2
83.04971	21.6
91.05486	12.5
93.03386	3.5
93.07022	9.7
95.04947	5.9
95.73510	1.8
97.02870	6.2
99.15945	2.0
105.07012	10.8
107.08560	10.8
109.02859	12.5
109.06490	8.9
111.04404	4.0
115.05435	4.3
117.06995	8.3
119.08580	14.9
121.02829	2.4
121.06493	17.2
121.10123	7.5
123.08068	3.4
128.06219	2.8
129.06990	7.9
131.08530	15.7
133.10081	7.7
135.08058	20.6
137.05937	5.5
137.09570	3.1
141.06996	2.6
142.07655	2.3
143.08580	9.9
144.09315	8.1
145.06509	11.2
145.10144	9.5
147.08002	4.6
149.09584	22.7
150.10390	3.0
151.11192	2.4
155.08534	4.3
157.10138	4.6
158.10884	10.2
159.08064	13.4
159.11653	24.9
160.08815	5.2
161.09625	5.0
163.07573	20.5
165.09157	2.3
168.09383	3.8
169.10121	4.9
169.46324	2.2
170.10922	4.9
171.07991	9.7
172.08847	15.7
173.06050	2.2
173.09633	29.0
173.13243	32.9
183.11661	10.1
186.10400	25.2
187.07582	4.5
187.11171	100.0
188.11780	2.2
191.07018	40.7
193.10046	2.8
196.08852	6.7
201.12732	56.2
205.12244	3.8
211.11250	9.3
219.13783	6.7
221.10472	1.8
229.12209	62.2
235.59319	2.3
247.13272	76.6
266.91330	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	246.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.96550	0.5
57.07075	1.2
60.04556	0.2
68.05006	0.2
70.06584	1.5
71.08620	1.0
71.51154	0.4
71.51514	0.3
79.05479	0.4
81.07022	0.3
84.89925	0.2
88.07623	1.7
91.05425	0.2
93.07078	0.3
102.09164	0.5
105.07020	0.6
106.08663	1.1
107.08607	0.3
109.06524	0.2
116.98612	0.2
118.05692	0.4
118.06532	7.6
131.14339	0.2
132.08081	2.9
133.08868	1.6
133.09846	0.3
134.09656	0.8
146.09648	2.8
147.10362	0.4
148.11143	0.2
161.11990	0.3
176.14334	49.0
177.14664	0.6
184.20625	0.4
188.14334	0.8
202.15903	0.9
203.16624	0.6
213.42203	0.3
216.17393	0.6
228.23212	0.8
246.22134	100.0
246.24292	9.5
247.22453	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	247.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21261	0.3
64.64879	0.3
66.85354	0.3
70.45606	1.2
72.47194	0.4
104.99258	100.0
117.98458	0.4
119.01852	0.3
120.02099	0.3
121.01637	0.7
123.00336	0.5
161.02898	0.8
163.02710	0.6
164.92039	12.2
177.04178	0.4
177.31293	0.4
181.00487	0.4
224.04018	0.4
247.00343	0.8
247.07791	0.9
247.13002	0.4
265.02689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72815	0.7
56.05033	1.2
56.33734	0.6
56.96560	5.9
60.04508	3.3
63.88987	0.7
69.07033	0.8
70.06586	46.9
70.98098	0.9
71.04990	7.5
71.06108	17.8
71.58028	0.8
71.58430	0.9
72.04498	3.1
72.08156	7.9
74.02431	4.3
75.65992	0.9
84.04484	1.1
84.08141	0.9
85.06525	0.9
86.09688	3.4
88.07619	3.0
88.08752	8.0
95.05996	0.8
97.07634	1.6
98.97563	2.4
109.02855	1.3
112.07603	8.1
113.03457	1.6
114.09155	6.5
115.08680	20.3
116.07085	19.2
116.98606	3.5
119.01892	3.1
125.07140	2.0
131.96182	1.1
134.99637	1.3
139.08669	1.6
142.96407	1.1
145.03503	1.1
149.97186	1.8
157.09724	5.7
158.08101	26.5
158.09213	1.8
158.12880	5.4
161.02896	2.0
172.10857	1.0
174.99142	1.0
175.10742	5.0
185.02896	1.1
188.97046	3.3
193.00125	0.8
198.84973	0.8
200.10298	2.2
203.15004	9.9
206.98080	2.9
211.34229	0.8
214.11838	2.6
217.05029	1.2
220.99754	1.1
228.13412	2.2
245.04878	2.2
245.16071	100.0
246.16386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1856
Annotation	Ile Ile
Peak:m/z	Relative Intensity
56.05678	0.3
56.96545	0.4
69.07064	0.5
70.06593	0.5
70.09836	1.0
72.08147	0.4
75.04458	0.3
79.05486	0.4
80.04983	0.3
81.07051	0.3
84.04488	0.9
84.08121	0.4
86.09695	100.0
87.10036	0.5
90.68128	0.3
91.05445	0.3
98.21353	0.3
105.05498	0.6
105.07044	0.5
114.03719	0.4
131.04866	0.3
132.10193	2.8
140.92076	0.3
142.03223	1.3
143.08578	0.4
157.06453	0.4
199.07506	0.4
199.18053	1.6
215.90791	0.3
217.07010	0.5
245.04486	0.9
245.11591	0.4
245.18590	4.3
246.07524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	0.9
59.87959	0.8
60.04507	2.8
69.03404	0.8
70.06588	36.2
71.04991	7.9
71.06110	15.7
71.58022	0.8
72.04494	3.0
72.08149	5.2
74.02428	3.0
77.00918	0.9
82.45559	0.8
84.04484	1.4
86.06063	1.5
88.07607	1.3
88.08766	5.7
94.66438	0.8
100.07612	1.8
101.00880	2.6
106.01969	0.8
107.42298	0.8
109.02834	1.2
111.09194	1.2
112.07581	5.1
112.08669	1.1
113.07067	1.0
114.09142	4.2
115.08685	11.4
116.07079	15.2
117.10237	1.6
117.94972	0.8
119.01914	10.2
120.02070	0.8
125.07102	1.4
131.01895	3.5
137.02928	1.3
137.47563	0.9
139.08698	1.0
140.07031	1.2
140.11823	1.0
141.10243	0.8
143.01852	1.5
145.03430	2.0
155.01859	1.9
157.03453	2.1
157.09735	4.2
158.08112	24.3
158.09346	1.4
158.12875	5.3
158.13966	0.8
161.02953	3.1
167.01891	1.1
172.10762	1.1
173.02966	3.2
175.04547	1.2
175.10765	3.2
185.02914	8.2
197.02910	1.4
200.10292	1.4
203.04008	2.3
203.14978	8.4
214.11871	0.9
215.03969	1.3
221.05029	1.5
228.13388	2.4
245.02551	1.6
245.04668	1.5
245.06471	2.4
245.16077	100.0
246.18227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1382
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
55.01854	30.8
55.05497	18.8
56.96559	18.9
57.18477	6.1
67.05479	23.5
69.03416	17.4
69.07068	17.0
71.05006	12.1
71.06087	19.8
79.05460	20.2
81.03411	9.5
81.07033	30.9
83.30292	6.7
85.63789	9.5
88.30248	7.5
91.05454	31.8
93.07027	34.8
95.04971	10.5
95.08575	28.0
97.02860	10.2
97.06507	21.1
98.97570	10.8
103.20237	7.0
105.07003	21.4
107.08596	61.4
109.02866	13.9
109.06484	14.0
110.09317	6.8
111.04376	10.0
116.98589	8.7
117.06984	10.5
119.08541	14.3
121.06515	14.8
121.10116	20.1
123.08044	10.2
128.06131	9.3
129.06969	15.3
135.08107	37.1
135.11700	8.0
142.03212	12.7
142.07750	17.7
143.08531	15.3
145.10069	15.1
149.09573	9.0
150.68430	7.3
156.09360	15.9
157.10020	14.5
157.66028	8.1
163.11151	23.9
167.10686	9.5
169.08589	100.0
171.11647	15.7
173.06442	8.6
178.50041	7.8
181.12251	18.7
184.08858	8.2
185.09656	9.1
189.08949	7.7
199.11137	25.4
203.10640	48.4
217.12204	32.9
225.07994	23.1
227.10645	28.0
227.12741	14.3
237.02922	10.6
243.08987	10.3
245.11610	36.1
246.14853	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	245.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
56.96539	0.9
68.99750	1.0
70.62680	0.4
71.51295	0.8
72.08144	3.8
73.01775	0.4
74.28654	0.4
78.54230	0.4
79.31077	0.4
86.09679	2.6
87.00806	0.9
91.05436	0.7
93.07026	0.8
98.24760	0.4
102.62907	0.5
105.05457	0.6
105.07009	1.1
115.05441	4.3
117.05753	3.2
118.06536	2.6
129.06960	2.1
130.06517	9.5
132.08072	52.1
133.08394	0.9
133.10159	0.6
135.08018	0.5
142.06500	7.5
143.07295	0.6
143.21619	0.5
144.08043	0.6
146.11746	1.8
154.06500	1.1
156.06870	0.8
156.08057	4.7
157.07597	8.2
158.06062	1.3
158.08369	7.4
159.09154	100.0
160.07559	10.5
160.09547	1.7
167.06042	4.8
170.05986	3.7
171.06691	0.8
171.09218	0.9
172.07539	1.4
181.07610	1.8
182.06047	0.8
183.09128	1.6
184.07552	16.0
185.07077	50.2
186.07487	1.0
198.69814	0.4
199.08690	1.8
200.07054	7.8
200.08815	0.6
201.10207	12.6
202.10535	0.6
209.07036	2.4
215.17781	0.4
217.04990	0.5
227.08118	40.8
228.08557	1.0
245.09206	20.8
245.18733	1.1
246.09506	0.7
249.03163	0.5
267.56671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
56.96539	0.9
68.99750	1.0
70.62680	0.4
71.51295	0.8
72.08144	3.8
73.01775	0.4
74.28654	0.4
78.54230	0.4
79.31077	0.4
86.09679	2.6
87.00806	0.9
91.05436	0.7
93.07026	0.8
98.24760	0.4
102.62907	0.5
105.05457	0.6
105.07009	1.1
115.05441	4.3
117.05753	3.2
118.06536	2.6
129.06960	2.1
130.06517	9.5
132.08072	52.1
133.08394	0.9
133.10159	0.6
135.08018	0.5
142.06500	7.5
143.07295	0.6
143.21619	0.5
144.08043	0.6
146.11746	1.8
154.06500	1.1
156.06870	0.8
156.08057	4.7
157.07597	8.2
158.06062	1.3
158.08369	7.4
159.09154	100.0
160.07559	10.5
160.09547	1.7
167.06042	4.8
170.05986	3.7
171.06691	0.8
171.09218	0.9
172.07539	1.4
181.07610	1.8
182.06047	0.8
183.09128	1.6
184.07552	16.0
185.07077	50.2
186.07487	1.0
198.69814	0.4
199.08690	1.8
200.07054	7.8
200.08815	0.6
201.10207	12.6
202.10535	0.6
209.07036	2.4
215.17781	0.4
217.04990	0.5
227.08118	40.8
228.08557	1.0
245.09206	20.8
245.18733	1.1
246.09506	0.7
249.03163	0.5
267.56671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.3
53.14482	0.6
55.05476	1.0
61.06555	8.4
67.01847	1.1
68.99786	4.3
69.07049	0.9
70.06591	0.6
70.94061	1.1
71.04974	1.2
71.28961	0.7
75.04037	1.0
75.04472	19.2
76.01639	0.6
80.05023	0.7
80.12161	0.5
83.01314	0.8
83.04953	0.7
85.02819	1.0
86.09692	5.4
91.05467	2.2
99.04449	13.9
105.05493	100.0
106.05847	0.9
111.00810	3.0
113.05999	1.5
115.03912	13.9
116.07039	0.9
120.08102	0.7
125.02380	0.9
127.03876	1.5
129.05457	1.4
141.05438	1.6
142.03214	3.0
143.03378	8.8
155.03435	1.7
157.04945	28.2
171.02864	14.5
171.04221	1.0
185.04448	2.3
186.05217	8.2
189.07610	3.8
198.01532	0.8
213.03967	7.7
217.07048	51.2
245.04063	0.8
245.06529	16.1
245.08897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03940	3.0
55.01885	2.1
56.96548	3.1
61.02928	12.6
63.55197	2.1
65.03936	11.4
67.05505	6.1
68.99779	2.2
69.03434	4.1
71.58759	2.8
72.08163	3.2
79.05473	6.1
81.07037	5.7
82.04185	2.5
84.04504	3.0
85.02904	5.7
88.53037	1.9
90.87564	2.0
91.05460	16.9
93.07058	2.0
95.04969	12.3
95.68676	2.1
97.02869	2.8
97.06521	3.6
102.09196	2.0
103.05423	2.2
105.03378	2.6
107.04949	8.3
108.02119	2.2
109.06510	15.8
110.03701	3.8
111.04421	2.6
116.98590	2.6
119.04933	6.4
123.04412	16.4
125.02359	6.9
133.02791	9.1
133.10139	2.2
134.99600	2.4
135.04451	4.1
137.05975	25.3
138.03067	2.3
140.04672	100.0
147.04410	5.8
151.03964	2.0
152.04613	2.9
153.05467	2.5
155.07019	83.0
163.03842	3.1
165.01869	2.5
165.05482	16.3
165.09375	2.0
171.06525	8.5
172.02884	1.9
173.08076	11.6
179.07043	10.1
180.04150	13.5
181.04942	73.3
181.06508	4.2
183.06566	3.5
184.05202	2.4
193.04933	22.5
193.07965	1.9
195.06555	13.5
197.05998	3.2
197.08035	7.4
207.06529	25.1
225.07533	16.3
231.05176	6.6
243.06404	3.2
243.08636	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	244.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.2
56.96567	4.4
58.06593	3.3
59.75475	2.7
60.04514	8.0
65.03933	6.0
66.19717	2.3
67.05487	4.1
68.99785	2.9
69.03429	4.2
70.26694	9.1
72.04504	7.8
74.06068	10.8
79.01876	3.0
81.03384	2.5
82.06570	9.2
83.01334	6.3
84.04498	12.8
87.00801	4.3
93.03408	6.5
94.06570	5.7
95.04944	8.9
96.04475	6.2
97.02882	9.0
98.06058	2.5
100.03942	12.3
102.05568	4.5
103.96844	2.3
107.01302	6.9
108.04495	3.3
109.02835	2.6
110.06033	46.4
111.04425	4.6
112.20631	2.3
113.02332	3.3
120.04453	9.4
121.02847	8.7
122.06005	9.8
123.04410	14.2
124.03903	4.8
125.02373	24.6
126.03131	18.9
126.05513	55.3
126.06383	5.3
127.03893	6.0
128.07147	2.7
135.00771	2.9
138.05479	55.3
139.00246	4.0
139.03934	9.3
140.07013	6.6
141.05455	5.7
142.04987	94.1
142.08641	9.2
143.03360	6.9
148.03940	8.0
149.02330	8.3
150.05492	5.6
151.03864	3.8
152.03423	3.2
152.07034	4.8
153.01814	58.3
156.06529	3.2
159.99057	2.4
166.04984	82.3
167.03386	46.1
167.05696	4.4
168.06548	10.5
169.01340	7.5
171.02852	12.1
176.03391	5.9
177.01831	11.7
180.06528	9.8
181.04988	8.4
183.02832	4.5
184.06071	29.3
185.04472	39.1
185.06053	4.3
194.04465	100.0
195.02875	13.3
195.04497	2.9
198.07643	9.4
204.50049	3.8
208.06094	7.7
209.04362	3.8
212.05536	33.4
213.50687	4.1
226.07036	26.6
226.08720	2.4
227.05495	8.0
244.08142	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	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01868	0.9
55.05494	0.4
56.86998	0.2
57.03426	0.4
57.21769	0.3
65.03929	3.3
67.05524	0.3
68.99780	4.6
69.03426	1.3
70.72237	0.5
70.72610	0.5
71.01349	0.3
73.02907	0.7
79.05497	0.4
81.07069	0.6
91.04561	0.3
91.05471	1.1
93.03422	0.3
95.01286	0.3
95.04986	0.6
97.02891	0.8
98.20860	0.3
99.72800	0.3
103.05472	0.3
105.03316	0.4
107.04939	6.1
111.04431	1.0
115.05448	1.5
117.07012	1.1
119.04934	0.8
121.02849	20.9
127.03857	0.3
128.06242	0.4
129.06992	0.6
131.04936	1.7
131.08549	1.6
132.05754	0.3
133.02910	0.4
141.06967	6.7
144.05667	1.2
145.06479	2.0
147.04390	3.0
147.08018	2.4
149.02319	100.0
150.02718	0.9
153.01831	0.4
157.06447	0.4
159.04495	0.3
159.08052	1.6
167.03372	1.6
168.05669	0.5
169.06467	9.5
173.05951	1.8
185.05948	1.0
186.03500	0.3
187.07504	2.3
197.05960	12.3
198.06470	0.5
200.04533	0.4
213.05629	0.6
215.06993	90.0
216.07379	1.7
225.05469	0.9
243.06493	40.5
244.06783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94290	2.1
57.03420	1.5
61.02905	2.3
70.05343	4.7
72.93773	4.3
83.06085	2.5
84.08123	1.0
90.94812	1.3
95.06075	1.5
98.21420	1.2
110.07146	18.4
112.03711	7.5
113.96426	5.6
115.03879	1.6
131.97404	3.9
152.08177	4.1
153.05191	7.5
154.66008	1.0
156.07669	5.6
157.01398	1.6
171.06319	1.7
176.94701	1.2
189.03876	1.2
194.67709	1.2
196.09679	1.5
224.06906	1.2
224.08867	7.4
227.95918	2.1
242.09972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.1
56.96543	0.1
59.00218	0.1
62.49522	0.1
71.57542	0.1
71.57922	0.2
82.99917	0.3
84.96004	0.1
89.37978	0.1
98.97580	0.2
101.00857	1.3
110.91394	0.1
116.98697	0.2
118.03476	0.1
119.01906	14.9
120.02009	0.3
122.97795	0.1
134.99818	1.1
137.02939	7.4
138.03087	0.2
140.98828	0.3
142.03487	0.4
153.00934	1.1
158.99840	1.2
160.04544	0.1
165.99608	0.2
175.03026	0.3
176.02582	0.2
177.00929	30.7
178.01003	1.6
179.00969	0.2
182.16266	0.1
182.99771	0.5
184.00676	0.1
191.02554	0.1
192.30862	0.1
193.04071	0.6
195.01976	0.8
197.02899	0.1
199.03088	0.1
200.02629	0.6
201.00850	1.5
201.02415	0.2
202.00877	0.1
202.05536	0.1
214.95551	0.2
217.04076	3.6
218.03636	0.6
219.01976	32.3
220.02081	3.2
221.01752	0.9
222.01767	0.1
225.00833	2.2
227.99626	0.1
232.96707	0.1
234.00647	0.2
237.98804	0.1
242.03596	0.8
243.01918	6.6
243.10838	0.1
244.02095	0.2
260.04529	0.3
261.03021	100.0
262.03140	3.3
263.03366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05151	2.3
55.01857	3.5
56.94300	4.3
57.03421	4.8
58.06595	2.5
70.62097	7.7
71.01334	5.2
72.93784	4.5
73.02863	3.0
79.86572	2.4
85.15136	2.2
87.04474	3.4
101.02364	9.2
108.48447	2.5
110.07161	20.1
112.03710	9.0
113.96383	8.4
115.03919	20.1
129.01804	9.9
131.97429	7.9
143.03365	6.8
152.08203	5.6
153.05226	3.3
156.07664	7.1
157.01329	14.4
161.04437	7.8
175.02394	3.8
176.13887	2.3
177.69362	2.6
189.03918	46.0
224.08968	8.3
227.95923	5.8
242.09959	100.0
242.15630	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	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53365	2.8
55.01857	5.0
55.05503	15.9
56.96559	8.3
57.03424	4.2
57.07054	5.6
67.05496	22.4
69.07054	16.4
70.30316	13.9
71.04984	7.0
79.05484	23.9
81.03391	4.1
81.07034	25.4
81.51628	3.3
82.94524	3.2
83.04967	5.6
83.08601	9.3
85.06521	3.2
85.48461	3.4
86.77470	2.8
87.70302	3.3
91.05470	12.9
93.03716	16.8
93.07040	41.3
95.04974	12.3
95.08588	46.9
97.02881	3.8
97.06521	4.4
98.97601	8.8
105.07038	14.3
107.04940	9.4
107.08594	33.7
109.10148	7.2
116.98618	10.8
117.07005	11.4
119.08549	11.9
121.06512	11.5
121.10092	15.9
121.16379	3.2
125.05949	4.7
130.07800	3.7
131.08549	3.4
134.99646	11.6
135.08102	3.2
135.11671	53.5
136.42340	3.9
145.10094	32.9
157.10101	5.0
163.11157	62.2
181.12157	16.9
191.10579	3.3
191.45731	3.1
218.01149	3.7
227.12756	100.0
241.19588	12.1
258.99503	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	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	44.1
55.05496	6.3
56.96543	4.6
57.03428	2.8
57.07049	5.4
65.03948	2.2
65.24182	1.5
67.05170	1.9
67.05499	21.9
67.34766	1.6
68.74928	1.9
69.03412	6.2
69.07052	7.3
71.04976	4.4
71.08619	1.8
71.39597	2.4
71.39933	2.7
79.05486	14.1
80.69782	1.6
81.07059	16.0
83.08594	2.6
85.06535	31.9
91.05473	9.7
93.03703	7.1
93.07035	25.3
95.04941	9.9
95.08593	28.6
95.10941	1.8
97.02925	1.8
97.06511	10.8
98.97585	2.2
99.04430	2.5
104.64330	1.7
105.07024	22.1
107.04940	4.2
107.08588	52.3
109.06521	14.2
109.10161	3.6
111.08025	2.4
113.05987	7.5
116.98607	4.9
117.07008	2.1
119.08550	4.7
121.06480	12.8
121.10129	10.6
123.08051	14.7
125.05947	2.8
127.07549	1.8
131.08545	4.8
133.06499	3.7
133.10088	1.8
134.99622	4.0
135.08015	2.1
135.11670	7.8
139.07495	2.1
145.10085	19.9
145.92551	1.8
147.11697	2.4
149.09602	7.4
151.07518	27.6
163.11166	37.1
173.09596	5.7
173.57730	1.7
181.12317	10.0
183.10152	100.0
185.13283	2.0
191.10631	24.7
191.87743	1.7
205.12234	2.1
209.11690	2.6
223.13220	2.7
223.16641	2.2
227.12759	6.4
241.04782	1.8
241.08766	2.7
241.19518	3.6
241.21744	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	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05487	0.4
56.96562	0.4
58.06594	19.3
61.02909	0.3
65.77528	0.2
66.06635	0.2
67.05485	0.4
69.07055	0.6
70.06584	3.1
71.04959	0.4
72.08145	0.7
79.05485	0.3
81.03396	0.7
81.07040	0.5
83.05000	0.4
83.08601	0.3
84.08133	10.5
85.02914	0.4
85.06519	0.6
88.59006	0.2
91.05415	0.3
93.03706	1.2
93.07017	0.3
95.08592	0.3
98.06048	0.4
98.09693	1.6
100.11255	0.5
114.05510	0.4
116.07069	0.4
118.55952	0.3
119.08759	0.3
124.91914	0.2
126.05489	0.7
128.10704	3.8
131.01926	0.4
135.48293	0.3
144.10109	1.4
146.97455	0.3
152.10652	0.3
164.07095	0.4
168.10172	1.2
196.09671	6.5
213.15936	0.6
220.02411	0.3
241.15443	100.0
242.09915	1.8
242.15659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1275
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03929	2.5
55.01870	1.3
55.05505	6.6
56.04992	1.2
56.96551	2.2
57.03417	2.4
57.07058	3.4
58.06588	1.2
59.04981	3.4
67.05504	11.3
69.03420	7.3
69.07059	10.2
70.06582	1.8
71.04966	3.8
71.58564	1.2
72.08128	1.2
79.05486	16.4
81.07047	90.1
83.04971	34.2
83.08623	2.2
84.08131	1.8
85.02897	1.5
85.06547	8.6
85.10184	1.3
89.06010	2.6
91.05477	15.9
93.07032	19.6
94.04163	1.2
95.04967	12.8
95.08588	7.7
97.06520	24.1
97.10136	1.1
99.08074	1.6
102.23746	1.3
105.07019	8.0
107.04948	10.5
107.08574	7.2
109.06500	32.0
109.10152	10.1
111.04427	2.6
111.08081	5.3
112.11196	1.2
113.05985	3.2
117.07005	2.9
119.04937	4.0
119.08584	5.6
121.06496	6.9
121.10136	4.5
123.04408	5.1
123.08046	3.0
123.11665	3.2
125.05991	4.6
127.07533	8.0
128.06265	1.3
129.06995	1.6
131.08545	2.2
133.06491	2.6
133.10123	7.0
135.04373	1.3
135.08032	6.6
135.11678	7.1
137.05965	49.7
137.09599	8.8
139.07523	2.0
142.07747	3.2
145.10138	9.1
147.04379	1.9
147.08008	1.6
147.11665	4.9
149.09592	2.9
151.07535	2.5
151.11169	2.6
153.01797	2.1
153.09122	2.7
155.07071	5.9
155.08342	1.3
157.10085	4.1
158.07198	1.9
159.11668	1.9
160.08800	2.2
161.09546	6.6
163.07582	2.0
163.11150	3.2
165.05457	4.4
165.09163	1.3
167.10658	1.7
173.09601	17.3
175.11154	11.9
177.12671	1.5
179.10645	10.3
181.12189	2.7
185.09644	3.2
188.08308	1.7
191.10635	14.9
193.12236	8.0
194.02858	1.5
203.10670	10.5
207.06418	1.7
207.08389	1.2
221.11688	26.6
239.09131	17.1
239.12746	100.0
240.13043	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	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
54.43370	2.1
55.01851	2.3
55.05510	49.3
56.96552	8.4
57.03428	4.9
57.07072	31.3
59.05001	3.4
65.03925	2.4
66.71597	1.9
67.05505	47.3
68.77048	2.3
69.03429	5.1
69.07063	83.2
71.00358	5.9
71.04989	22.9
71.08622	12.1
79.05492	14.2
81.07052	81.9
83.04975	4.4
83.08610	70.8
85.02901	2.8
85.06544	38.1
85.10201	4.5
89.06034	5.9
91.05473	8.7
93.07037	14.4
95.04947	6.4
95.08598	100.0
96.08900	3.0
97.06512	6.5
97.10162	22.0
98.97569	13.7
99.04462	7.0
99.08098	19.7
105.07042	19.5
106.07353	8.2
107.08569	14.0
109.06510	7.9
109.10147	54.8
111.08089	4.8
111.11695	13.0
113.09640	6.5
116.98615	13.3
119.08566	10.6
121.10131	12.2
123.08069	4.5
123.11704	23.3
125.09613	7.3
125.13268	4.9
131.08545	2.8
133.08626	2.2
133.10129	7.5
134.99661	8.5
135.08057	3.2
135.11699	6.4
137.13284	6.6
141.07051	2.2
144.08084	2.5
145.10114	3.4
146.99554	3.5
147.11696	6.5
151.14838	3.8
153.00739	2.7
158.99661	5.1
161.13228	2.9
163.11150	2.2
164.70760	2.4
165.12755	4.5
165.16452	3.7
177.00702	9.1
178.01080	3.1
183.11635	5.2
197.13280	7.5
203.17955	4.9
207.05421	2.5
208.02208	3.0
208.52422	2.9
210.92284	3.3
215.53432	2.9
216.03563	4.0
219.53027	3.2
221.08124	3.3
221.11838	4.1
221.15425	3.9
221.19112	4.3
221.22653	2.2
224.54112	5.6
225.03894	2.1
239.08949	32.2
239.10995	2.8
239.16167	6.2
239.18005	10.5
239.20053	5.0
239.23654	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	237.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08479	1.0
55.01862	2.3
55.05502	1.9
56.67665	1.1
56.96550	4.0
57.07059	3.3
67.05484	2.8
69.03416	1.6
69.07057	2.9
69.43140	9.0
70.06577	3.6
71.01343	8.3
71.04994	1.5
71.08598	1.6
72.08150	5.4
74.02430	6.5
78.95619	1.8
79.05478	3.3
81.07059	5.3
83.04976	2.8
83.08611	2.6
84.08122	3.7
85.02917	2.0
86.09718	1.4
91.05513	1.7
93.07041	2.6
95.04936	2.3
95.08600	3.3
97.02890	1.3
97.06498	1.5
98.20628	1.1
103.03918	2.4
105.06941	1.3
107.04937	2.2
107.08556	2.9
109.10129	3.0
111.08099	1.1
117.01827	1.2
118.06496	2.0
119.03369	1.2
119.55123	1.1
120.08099	8.7
121.06508	2.4
121.10159	2.9
128.04961	3.4
129.10190	2.4
131.03421	5.7
131.80849	1.0
133.10104	1.1
135.08069	1.6
137.09567	1.1
145.04965	1.3
146.05994	100.0
147.06323	1.6
148.03862	2.1
157.04918	2.6
158.06052	1.6
159.02876	11.7
163.03906	1.7
173.07092	1.4
174.05533	1.9
191.03491	1.9
191.08203	1.8
219.07649	1.5
237.03938	1.4
237.08751	4.0
237.12717	2.1
237.14789	2.5
237.22054	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	237.112
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
52.80064	0.8
53.03931	1.5
55.01865	2.0
55.05498	3.5
56.96549	1.3
57.03423	1.2
57.07071	1.1
65.03938	0.8
67.05506	4.0
68.69727	0.7
69.03426	1.6
69.07062	3.0
71.04980	1.8
78.87813	0.8
79.05483	5.1
81.07047	5.7
83.04975	2.4
83.08601	1.7
91.05469	23.6
93.07026	4.3
95.04935	1.9
95.08584	3.5
97.06532	1.4
98.20712	1.9
98.97536	1.2
103.05444	5.3
104.06215	1.1
105.07024	8.8
107.04932	5.7
107.08581	4.9
109.06509	2.7
109.10157	3.4
111.08008	0.8
115.05439	23.1
116.06231	15.3
116.98634	0.8
117.07005	12.8
118.61940	0.9
119.04945	0.9
119.08591	5.7
121.06518	3.5
121.10152	3.5
123.07996	1.4
123.11661	1.6
125.09568	1.2
127.05439	1.0
128.06207	11.7
129.06990	34.5
130.07794	2.1
131.04915	7.0
131.08557	42.5
132.05711	1.8
133.06480	4.1
133.10115	2.4
135.08028	3.5
135.11659	1.8
137.05992	1.8
137.09616	1.4
141.06975	19.6
143.04903	6.6
144.05692	43.7
145.06480	13.5
147.08038	9.6
149.05997	1.0
149.09637	4.0
153.05434	2.0
153.09174	1.2
155.04927	1.7
155.06058	2.3
156.05731	1.4
157.06503	8.7
158.07260	5.4
159.08037	83.2
160.05191	3.0
161.05968	5.2
163.03886	2.4
163.07518	2.0
163.11098	1.4
167.07072	1.3
169.06389	1.5
169.07617	7.9
172.05139	7.0
173.05951	2.3
173.09550	0.9
173.13332	1.1
174.06819	1.2
175.07523	19.3
176.04695	1.8
176.08118	0.9
176.14340	3.0
177.05524	4.1
177.09111	7.7
177.12764	1.5
178.06276	1.0
179.10471	0.9
181.08589	1.7
186.06773	1.5
187.07524	69.1
188.08046	1.3
189.05420	1.7
189.09125	1.8
191.03447	4.3
191.07031	8.1
191.14302	2.4
192.07771	10.5
193.08562	4.6
195.10089	0.9
201.08990	1.0
201.16351	0.9
204.07776	5.8
205.08585	7.4
206.09436	1.7
207.10136	21.0
219.10141	100.0
219.13702	2.8
220.10553	2.7
237.03990	1.8
237.09087	1.5
237.11212	20.7
237.14886	3.8
237.22169	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	238.1589
Annotation	N-Methyl-(R,S)-tetrahydrobenzylisoquinoline
Peak:m/z	Relative Intensity
51.02378	0.3
53.03929	0.7
55.05501	0.8
56.05856	0.3
56.96566	1.2
59.04986	0.4
67.05494	0.8
69.07051	1.0
71.04993	0.4
71.60230	0.4
79.05489	7.4
80.05038	0.3
81.07056	1.4
82.07378	0.3
85.06544	0.4
91.05472	0.5
93.07030	0.6
95.04974	2.0
95.08604	0.7
97.72704	0.2
98.97583	0.9
103.05470	5.0
105.07024	100.0
106.07367	1.4
107.08576	0.9
109.06541	0.6
109.10141	0.5
111.89490	0.3
116.98610	1.0
118.06563	0.3
119.01844	0.2
119.07330	0.4
120.13683	0.2
121.06567	0.4
121.10154	0.4
122.10442	0.3
123.11774	0.4
124.31357	0.2
133.10219	0.4
134.09634	2.7
134.10512	0.3
134.99644	0.6
158.99637	0.3
177.00748	0.4
198.00099	0.3
223.11115	0.3
225.09813	0.3
238.15900	51.9
239.08882	0.9
239.16138	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0914
Annotation	Sinapic acid methyl ester
Peak:m/z	Relative Intensity
53.96603	1.1
55.05500	3.8
56.96555	2.0
57.07067	2.1
62.28317	1.1
65.03927	3.7
67.05499	3.3
69.07052	5.0
70.08839	4.2
70.09251	1.7
71.04991	1.6
71.08631	1.3
77.03876	1.5
79.05473	3.0
81.07047	4.6
83.08623	3.0
84.15260	1.2
89.06007	2.1
91.05479	52.7
92.05780	1.4
93.07025	3.2
95.04955	3.5
95.08599	5.4
97.06506	1.9
98.21395	1.6
98.97563	3.9
99.04446	1.4
103.05437	1.5
105.07019	2.8
107.04926	1.5
107.08593	2.5
109.10154	2.8
116.98641	1.9
118.04143	2.6
119.04941	59.7
119.08584	2.5
120.05237	2.4
121.10138	1.2
123.08092	1.7
129.03345	2.2
131.08521	1.2
132.02077	4.0
133.02887	1.4
133.10100	1.3
134.99611	2.0
135.04431	2.0
136.01553	1.4
136.05205	1.4
137.09613	1.7
137.13306	1.2
146.99527	1.3
147.04404	47.7
149.02321	4.2
151.03915	3.0
157.03989	4.7
164.04657	3.9
165.01762	2.3
175.03906	76.8
176.04276	3.1
177.00681	1.7
179.03409	2.9
179.06941	5.3
181.08177	1.8
182.05685	1.3
185.13463	1.2
192.04170	10.4
197.08076	6.7
207.06523	100.0
208.06825	2.9
211.05841	1.6
239.08804	14.3
239.18011	3.6
249.02690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.039
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
53.03929	2.0
55.01865	4.3
55.05504	5.3
55.33740	0.8
56.96333	0.8
56.96559	7.6
57.03420	1.2
57.07048	2.8
59.04985	1.9
65.03922	2.9
67.05495	12.1
68.99778	1.2
69.03413	4.1
69.07053	7.5
71.01347	2.3
71.04967	3.7
71.08619	1.6
71.59177	0.8
71.59600	1.2
77.03928	1.4
79.05484	13.4
81.03396	1.3
81.07044	21.5
83.01321	0.8
83.04970	6.9
83.08593	2.8
85.02870	0.9
85.06528	3.2
89.03886	5.4
91.05463	14.9
93.03364	1.0
93.07017	9.3
95.04964	6.2
95.08588	13.2
97.02892	1.0
97.06500	3.7
97.10121	2.1
98.97552	1.3
99.08096	4.4
103.05418	1.0
104.07092	1.2
105.06976	6.2
107.04941	18.3
107.08575	9.2
109.06490	4.0
109.10138	8.9
111.04404	5.4
111.08079	3.5
115.05357	0.8
116.98611	2.2
117.03326	5.0
117.06960	1.2
119.04903	8.0
119.08562	4.7
121.02856	2.2
121.06493	2.1
121.10114	6.9
123.04383	1.7
123.08035	2.0
123.11687	5.0
125.09601	2.5
127.07484	1.7
127.11179	2.0
128.98573	1.8
131.08551	3.5
133.02786	0.9
133.10135	4.9
134.99637	2.2
135.04398	14.0
135.08034	3.0
135.11661	4.6
136.04706	0.8
137.02330	0.9
137.05927	1.7
137.09590	2.1
137.13223	0.9
139.03876	11.8
144.05685	1.0
145.02818	4.9
145.06502	1.7
145.10106	3.8
146.99646	2.9
147.04379	12.0
147.11671	2.2
149.01216	1.0
149.02296	1.6
149.05908	0.8
149.09596	1.1
149.13260	3.0
151.07509	1.1
151.11172	3.5
153.00648	1.2
153.01793	7.0
153.05463	1.7
159.08055	1.5
159.11644	2.9
161.05931	1.1
161.13222	1.8
162.02916	0.9
163.03879	86.6
163.11211	2.0
163.14757	1.7
164.04150	0.9
165.01819	2.3
165.05434	1.8
165.06749	1.0
167.03418	2.6
170.01677	1.0
173.02266	1.8
173.05933	1.7
173.09494	0.9
173.13205	2.0
175.03926	3.5
175.07483	1.0
176.04807	0.9
177.05418	1.5
177.09065	1.7
177.12738	1.8
177.16403	1.2
179.03348	1.9
181.04927	4.2
181.08638	1.0
187.07527	1.2
189.00636	1.6
191.03366	100.0
191.07001	2.8
191.14214	1.5
192.03787	1.6
193.04901	1.3
193.10374	1.7
195.02855	1.2
195.11681	0.9
201.05504	1.2
201.12695	1.1
201.16371	1.6
206.01953	0.9
209.04422	25.5
219.02852	35.9
219.10161	1.1
219.13786	2.6
219.17313	3.7
237.03906	56.5
237.07584	2.9
237.14682	5.4
237.18504	4.7
237.22000	5.0
243.73164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.039
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
51.59223	0.3
53.03934	1.0
55.01864	0.9
55.05502	1.0
56.17368	0.3
56.96569	0.3
65.03928	0.9
67.05484	0.9
68.99781	0.6
69.03419	0.7
69.07037	0.6
71.01337	0.6
71.58031	0.6
71.87624	0.3
74.04553	0.3
79.05483	7.5
81.03422	0.3
81.07049	1.3
83.04975	0.8
83.08618	0.4
84.05713	0.3
89.03885	2.8
91.05466	5.0
93.03394	0.7
93.07036	1.1
95.04986	2.5
95.08583	1.0
95.15967	0.3
97.06500	0.5
105.04517	0.4
105.07014	1.1
107.01205	0.3
107.04942	14.1
107.08572	1.0
109.06481	0.5
111.04430	1.5
111.08057	0.6
115.05485	0.3
117.03362	4.1
117.07078	0.4
119.04944	3.9
119.08562	0.4
121.02842	1.0
121.06474	0.5
121.10116	1.0
123.04385	0.6
123.08044	0.4
131.04921	0.4
131.08525	0.5
133.10120	0.5
134.03647	0.4
135.04401	8.4
135.08055	0.5
137.02379	0.5
138.46960	0.3
139.03879	5.2
145.02843	4.1
145.06374	0.4
145.10129	0.6
147.04405	3.2
149.02266	0.5
153.01805	1.5
153.05418	0.8
158.07164	0.4
161.05968	0.4
162.03101	0.4
163.03883	59.3
164.04205	0.7
165.01822	0.7
165.05463	0.8
167.03348	1.9
173.02368	0.8
175.03900	0.7
175.07463	0.3
177.12709	0.4
181.01328	0.4
181.05016	1.8
191.03368	100.0
192.03703	1.9
193.05023	0.3
195.02873	0.4
201.01694	0.4
202.52321	0.3
208.03612	1.5
209.04419	24.1
210.04865	0.4
219.02872	21.3
219.10097	1.2
219.13770	0.4
219.20993	0.4
237.03903	36.6
237.14822	0.7
237.18529	0.5
237.22038	1.0
238.04259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0389
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
52.86761	0.3
53.03931	0.6
55.01855	1.4
55.05492	0.7
63.02374	0.3
65.03923	1.3
67.05488	0.9
68.99788	0.5
69.03434	0.3
69.07053	0.6
70.77329	0.6
70.77667	0.4
71.01326	0.3
71.04993	0.4
79.01841	0.4
79.05486	7.4
81.03371	0.4
81.07040	0.8
83.04962	0.8
83.08631	0.6
89.03902	3.1
91.05470	4.9
93.03389	0.4
93.07013	0.9
95.04958	2.1
95.08583	1.0
97.02873	0.3
97.06509	0.5
105.04507	0.3
105.07000	0.9
107.04941	13.6
107.08589	0.7
109.06520	0.5
109.10131	0.7
111.04434	1.3
115.05427	0.3
117.03373	4.2
117.07012	0.5
119.04919	3.0
119.08552	0.5
121.02870	0.8
121.06500	0.5
121.10141	0.6
123.04419	0.5
125.09647	0.3
129.07033	0.4
131.08525	0.9
135.04399	7.6
135.08081	0.3
139.03880	5.6
141.06920	0.3
143.03358	0.4
144.05708	0.4
145.02829	3.8
147.04369	2.7
149.02309	0.8
149.09647	0.4
151.07463	0.3
153.01810	1.6
153.05463	0.6
156.41203	0.3
159.08023	1.0
162.03127	0.3
163.03889	56.2
164.04236	1.0
165.01767	0.6
165.05449	0.7
167.03394	1.9
169.07654	0.3
173.02281	1.5
175.03926	0.4
175.07579	0.4
179.03293	0.3
179.10684	0.5
181.01242	0.7
181.04961	2.3
182.59743	0.3
183.44673	0.3
187.07622	0.6
191.03372	100.0
192.03706	1.7
194.09413	0.3
195.02934	0.4
207.93246	0.3
208.03572	1.7
209.04431	23.6
210.04930	0.4
219.02872	21.8
219.10149	0.8
219.13782	0.4
237.03918	38.2
237.14812	1.0
237.22041	1.0
238.04224	0.6
238.16029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02356	1.5
53.00290	1.2
53.03931	3.1
55.01859	3.6
55.05506	12.6
56.96553	9.0
57.03436	2.3
57.07069	21.6
57.97362	1.3
59.04996	2.2
61.19890	1.6
65.03917	1.7
67.05174	1.8
67.05502	18.1
69.03430	11.9
69.07066	13.1
69.36562	11.5
69.36979	2.3
71.04983	4.8
71.08589	1.5
71.42557	1.3
73.06562	1.6
77.03908	1.6
79.05062	1.8
79.05489	21.4
81.03402	2.7
81.06582	1.9
81.07050	33.8
83.01340	2.8
83.04976	36.2
83.08617	3.3
85.02863	3.4
85.06528	3.8
87.04449	1.4
91.04952	2.4
91.05478	28.2
93.07036	30.4
95.04958	11.2
95.08596	19.6
97.02851	2.5
97.06527	7.7
98.97575	4.1
99.04449	4.2
103.05458	3.2
105.03712	3.2
105.04442	1.3
105.07020	49.8
107.04974	4.1
107.07854	2.4
107.08581	33.4
109.02854	3.2
109.06516	23.8
109.10136	11.3
110.07238	1.9
110.22020	1.3
111.04430	2.8
111.08063	3.7
112.99133	2.7
113.05936	2.0
113.96405	3.9
115.05457	4.2
116.98639	3.9
117.07008	5.7
119.04951	3.0
119.08573	49.6
121.06501	20.0
121.10123	16.0
123.04381	4.2
123.08047	13.0
123.11687	3.3
125.06010	6.5
125.09625	3.3
128.06203	5.1
129.06990	9.2
131.00139	11.2
131.04869	2.5
131.08553	12.4
131.97435	4.1
132.05727	1.5
132.95851	2.4
133.06483	13.5
133.10123	32.0
134.99608	2.8
135.08052	14.7
135.11626	7.3
136.08812	17.8
137.05986	9.0
137.09598	15.1
138.10352	4.2
139.07588	2.3
141.07004	2.4
142.07742	3.9
143.08554	9.0
145.06468	4.1
145.10121	9.5
146.07231	2.2
147.04424	3.4
147.08018	25.5
147.11676	36.8
149.01230	16.0
149.09610	11.5
149.13223	3.3
151.07553	13.2
151.11165	4.2
155.08386	1.7
156.09290	10.0
157.06534	3.6
157.10097	7.3
158.10909	2.7
159.08041	7.0
159.11711	5.5
160.05241	1.7
160.08775	4.6
161.01247	2.7
161.05978	12.3
161.09601	13.2
161.13246	24.0
162.10335	1.4
163.07556	3.1
163.11171	1.7
163.14821	1.7
165.05499	2.6
165.12807	3.1
167.02289	3.1
171.11682	15.2
173.09647	2.2
173.13295	9.4
174.06725	2.7
174.10373	9.4
174.96976	1.7
175.03979	1.8
175.07552	19.5
175.11156	36.0
175.14787	6.0
176.04744	2.1
177.00719	1.8
177.05328	1.3
177.09149	2.0
179.07040	13.0
179.10631	10.2
180.76573	1.3
187.07552	2.2
187.11192	2.5
188.08345	5.1
189.00784	1.7
189.09094	4.2
189.12723	49.1
189.16347	6.6
190.13304	1.6
191.07002	6.9
191.14282	9.8
193.08624	2.6
193.12282	2.6
199.11162	3.7
199.14825	2.2
202.09895	11.6
207.10088	2.4
207.13837	3.8
215.09326	1.9
217.08922	1.7
217.12241	30.6
217.15723	8.7
217.19510	3.4
235.02429	1.6
235.09758	11.6
235.13278	100.0
235.16937	66.6
235.20618	6.3
236.17038	1.4
253.06075	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05503	5.1
56.01379	0.9
56.96550	0.8
57.03419	1.5
57.07059	0.9
59.04997	3.8
61.01132	2.0
61.02923	1.0
64.84074	0.7
69.07049	1.2
69.90976	1.9
69.91393	1.9
70.02941	6.5
71.08618	4.9
72.04507	12.6
73.02902	1.9
74.02444	2.2
78.03799	1.1
79.05486	5.5
81.07046	21.7
83.08614	4.9
84.08113	0.7
85.02877	1.0
87.00829	0.7
90.05544	100.0
91.05450	1.4
93.07033	1.0
95.08601	1.0
98.02404	9.9
98.20849	1.6
98.21423	1.1
99.08075	8.2
100.03955	2.0
101.09645	1.8
102.03738	1.0
103.02148	1.6
109.06506	19.7
110.06085	0.9
110.09660	2.0
114.03754	0.8
114.05550	2.4
116.03442	12.2
116.98611	0.7
117.09123	2.5
119.04967	0.9
120.04784	1.6
127.07549	2.3
131.00143	0.9
131.06366	1.0
136.06206	1.0
136.73660	0.7
138.09123	18.3
138.10185	0.9
138.19193	0.7
145.08589	1.4
146.02657	1.2
147.01175	1.0
149.01256	0.9
149.07381	1.5
151.03914	2.7
156.10161	4.0
161.06064	1.0
177.05475	1.3
180.10162	2.2
188.12698	1.6
198.11220	25.2
207.06589	1.7
216.06783	0.7
216.12280	20.1
234.07761	1.4
234.11281	1.3
234.13313	21.8
234.18452	1.3
234.98950	1.3
235.02330	1.1
235.05943	9.4
235.16882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2262
Annotation	5alpha-Gonane
Peak:m/z	Relative Intensity
52.75925	1.1
53.03922	1.2
54.33163	1.3
55.05503	14.0
57.07070	2.9
62.61114	1.1
65.03915	2.7
67.05499	97.1
67.32734	1.2
68.05805	1.3
69.07063	14.6
70.91599	2.8
79.05484	20.4
80.92536	1.4
81.07049	100.0
82.61842	1.2
83.08604	9.3
91.05460	5.4
93.07034	25.7
93.44998	1.4
93.45578	1.2
95.04952	2.7
95.08598	87.4
97.10159	4.8
105.07008	3.6
107.04926	1.9
107.08578	16.5
109.10146	42.4
119.06322	1.3
121.06491	2.3
121.10138	24.2
123.11687	14.2
132.64801	1.4
133.10091	2.0
135.11697	21.4
137.13220	11.2
145.10101	1.9
149.09612	1.9
149.13254	10.0
151.14796	8.1
151.33163	1.4
163.14777	4.2
165.16467	1.8
177.16373	2.0
191.17995	1.8
215.14311	1.4
233.15514	6.2
233.19057	36.3
233.22612	75.5
247.43854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.04998	0.5
56.96539	1.6
57.03424	0.7
57.07069	5.9
59.04999	3.7
61.02930	0.6
62.72881	0.5
67.05502	3.7
69.03423	0.6
69.07059	3.2
70.02942	3.2
71.58498	0.6
72.04134	1.0
72.04511	10.8
73.02911	1.6
75.04470	2.2
83.04951	0.7
84.08093	0.7
85.06531	6.8
86.09680	1.1
87.04459	6.5
88.03980	14.2
88.04526	0.7
90.05556	5.5
91.05474	1.8
93.07029	0.7
95.04942	3.7
96.08100	0.9
98.02403	3.2
98.97594	0.6
100.03948	1.1
103.07559	4.0
104.07093	100.0
105.03407	0.9
113.05998	1.6
114.05538	1.1
116.03451	4.4
116.98644	0.6
119.04893	0.9
119.08523	0.6
120.08109	0.8
124.07585	8.0
126.64427	0.6
130.04997	5.8
131.07016	1.3
135.08087	0.5
138.09215	0.6
142.08609	3.0
145.02856	2.4
147.04399	1.4
160.09682	1.5
164.62744	0.5
166.08638	1.3
174.11269	2.0
174.96863	0.8
175.03929	0.6
177.05437	4.8
184.09692	6.3
198.11256	3.9
202.10719	8.9
207.06432	0.6
216.06738	0.6
216.12294	11.8
234.01657	0.9
234.07550	1.7
234.11237	4.7
234.13403	10.8
234.15356	0.9
235.02365	1.7
235.16920	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.02889	1.2
53.03938	3.4
55.05496	8.7
56.96544	3.6
57.07050	2.8
62.96018	1.2
65.03927	1.8
67.05503	11.7
69.07043	5.7
69.31606	8.5
69.32020	4.1
79.05480	12.6
81.07047	32.9
83.08594	1.9
85.44683	1.3
86.06084	1.3
91.05466	17.1
93.07031	19.5
95.04938	3.1
95.08595	26.7
95.37042	1.3
97.31477	1.1
99.99535	1.2
100.84071	1.2
103.05424	1.7
105.07016	33.6
107.04978	2.6
107.08590	19.3
109.06496	2.8
109.10131	8.6
116.87244	1.2
117.06984	8.0
119.08564	18.7
121.06416	2.5
121.10110	9.1
123.08057	1.2
123.11661	1.7
125.05941	3.1
128.06184	1.3
129.06963	1.9
131.08545	34.2
133.06477	2.1
133.10112	9.4
134.99593	1.5
135.08025	2.4
135.11646	3.2
137.05934	2.5
137.68951	1.2
139.07483	3.8
142.07776	1.7
143.08537	3.8
145.09029	2.7
145.10107	33.0
147.07948	1.6
147.11668	8.9
149.05959	1.9
149.09605	2.8
149.13214	2.4
151.07555	3.6
154.24165	1.3
155.08517	3.5
157.10106	4.7
158.07137	1.4
159.08028	5.2
159.11667	21.9
161.13243	11.7
163.07521	4.1
165.09079	1.6
169.10127	2.9
171.11720	2.8
172.12323	1.7
173.09601	3.0
173.13269	2.6
177.05452	3.2
177.09045	12.9
178.06210	2.8
178.96094	1.3
182.10869	3.2
186.95215	1.6
187.11186	3.6
187.14796	100.0
188.15208	2.3
189.16341	2.1
191.10649	3.0
191.14326	1.5
197.13200	7.8
205.15828	3.4
215.14281	24.4
216.01062	1.3
217.15929	2.9
233.08096	1.9
233.11607	4.9
233.15335	52.1
233.18854	14.1
233.22676	3.4
234.15495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03942	3.3
55.01849	2.7
55.05487	7.5
56.96563	10.8
57.07050	7.2
59.04980	4.4
63.09989	2.1
65.03932	3.5
67.05492	15.7
69.03426	19.3
69.07040	8.2
69.99368	10.1
70.30994	1.8
71.04973	8.7
73.02887	2.0
79.05066	2.1
79.05488	35.9
81.03395	4.0
81.07048	25.8
83.04948	2.9
83.08595	5.9
83.51234	2.2
85.02884	3.1
85.06516	6.8
88.07606	2.7
91.05473	32.5
93.07038	22.0
95.04956	27.1
95.08595	18.0
97.02860	2.8
97.06498	5.2
98.97574	6.3
105.06374	3.2
105.07021	38.3
107.04942	31.5
107.08583	31.0
109.06499	11.1
109.10157	9.8
111.04479	2.6
111.08053	4.5
113.05964	2.8
113.62405	2.1
115.05441	3.7
116.98610	4.0
117.07030	15.2
119.04893	3.4
119.08569	96.7
121.06512	10.8
121.10144	26.6
123.08022	7.5
123.11673	4.1
128.06123	2.6
129.06984	6.1
131.04906	3.1
131.08548	28.7
133.06488	6.1
133.10138	17.3
134.10904	5.0
134.99649	3.6
135.08026	7.4
135.11703	5.1
137.09583	7.6
142.07770	4.2
143.08568	7.4
144.09334	2.4
145.06439	5.3
145.10109	34.9
147.08044	26.6
147.11671	12.8
149.06000	2.5
149.09599	21.3
149.13243	6.2
156.09332	3.3
157.10091	13.8
158.10904	4.0
158.99594	3.1
159.08095	12.5
159.11696	16.4
161.09578	4.2
161.13206	5.0
163.11134	7.5
163.14720	2.9
167.08473	2.2
169.10168	2.9
171.11697	4.9
172.12592	3.0
173.09576	9.6
173.13269	20.0
175.07527	3.7
175.11195	11.9
177.05434	3.0
177.09108	6.6
177.12653	2.4
182.10909	4.1
187.07605	3.4
187.11179	6.4
187.14764	18.1
189.12798	9.9
190.98790	3.2
191.10641	3.1
191.14294	37.3
197.13223	11.5
205.04863	3.4
205.08583	3.8
205.15807	4.8
207.00555	3.5
207.09778	2.2
215.03418	3.1
215.14282	23.8
215.17805	3.2
233.08107	8.5
233.11653	5.6
233.15347	100.0
233.18849	11.0
233.22986	20.2
251.93628	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
55.05508	1.1
56.05025	2.4
56.96558	6.2
57.03429	1.5
57.05812	0.6
58.06590	1.3
60.04514	1.2
61.02916	4.5
67.05495	1.2
68.05022	0.5
69.03422	1.6
69.07063	8.9
70.06592	9.7
71.58220	1.1
72.04553	0.6
72.08151	6.4
72.93768	0.7
73.02912	1.5
74.02403	0.7
74.06097	2.8
80.04990	1.4
81.03419	0.9
81.04533	2.0
81.07027	0.6
82.05303	0.7
82.06559	0.6
83.04994	0.7
84.04507	5.8
84.08138	7.0
84.96020	0.6
85.02905	3.2
85.03352	0.6
86.06059	2.2
86.09697	100.0
87.04471	2.5
91.05424	0.8
96.04480	0.9
97.02894	1.5
97.06457	0.6
98.06026	0.7
98.97568	1.3
100.07610	0.6
101.00892	1.0
102.05536	1.9
102.74902	0.6
104.07108	2.2
108.05598	4.8
110.06017	0.5
110.97557	0.7
111.04404	1.3
114.09164	0.6
116.07101	0.6
116.16005	0.6
116.98620	2.1
119.01915	3.9
119.08601	1.2
120.05672	1.0
120.06582	3.8
121.01646	0.8
125.07162	1.1
128.07050	0.8
128.10710	1.7
128.98596	1.1
130.04950	4.0
130.08653	2.0
131.01903	0.7
131.08563	0.6
132.95834	0.8
133.03474	3.2
133.10156	0.7
134.99657	1.6
135.05038	1.6
136.05046	3.8
137.02956	1.5
139.00031	1.8
140.04999	1.2
143.01877	1.2
145.03380	0.7
146.99678	1.9
150.96844	0.7
151.04532	0.9
154.08659	0.7
160.08711	1.9
161.02902	1.9
162.99150	1.0
165.00620	0.7
170.06007	0.7
173.00636	0.6
173.02924	1.2
173.12933	0.6
175.00854	0.7
175.04558	0.7
177.11311	3.2
190.98665	0.8
191.03981	1.7
197.00581	1.1
205.10823	7.9
208.99754	1.5
215.01648	5.1
215.13982	1.8
233.02841	4.2
233.06451	9.5
233.10155	9.3
233.14851	6.6
233.18698	1.2
235.97388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.27104	1.0
53.03924	2.8
54.46501	1.1
55.05492	5.0
56.96548	4.6
57.07059	4.4
57.44159	1.1
59.04984	1.2
67.05482	4.4
69.03421	6.5
69.07051	4.9
69.78717	1.2
71.04977	2.7
71.59581	1.8
72.04508	14.3
72.93773	1.3
79.05482	54.5
81.07028	6.3
83.04970	2.6
83.08607	7.1
85.02912	1.3
85.06522	2.2
91.05461	9.8
93.07027	9.5
95.04966	7.3
95.08582	6.9
97.06494	2.8
98.97569	1.3
99.38105	1.1
105.07020	18.1
107.04939	50.4
107.08585	12.2
109.06487	2.4
109.10130	2.9
111.04430	1.3
111.08053	5.2
117.06999	4.0
119.08566	19.4
121.06455	3.3
121.10126	9.8
123.08030	3.1
125.09612	3.9
129.06979	2.9
129.97852	1.7
131.08551	14.1
133.10147	9.0
134.99599	2.7
135.08025	4.3
137.09586	5.2
142.07742	2.0
143.01898	2.0
143.08563	2.3
145.01686	1.3
145.06468	1.9
145.09053	1.2
145.10114	14.8
147.07072	1.4
147.08054	14.7
147.11694	13.8
149.09589	9.8
149.13235	2.6
149.98514	1.1
153.09068	2.0
153.59648	1.3
155.08549	1.3
156.09276	1.9
157.10124	6.6
158.10924	2.1
159.07991	2.4
159.11674	4.5
160.08797	1.9
161.02917	3.0
163.07558	1.3
163.11128	4.0
171.11668	1.7
173.09555	2.5
173.13223	11.0
174.10326	1.2
175.11171	20.2
177.05368	1.2
177.08937	1.4
178.96063	1.2
182.10852	1.4
187.14786	4.0
189.12752	4.5
191.14282	63.2
197.13249	2.7
207.00438	2.1
215.14236	7.1
215.17815	1.6
218.51285	1.5
230.36787	1.3
233.02367	3.1
233.11583	2.5
233.15327	100.0
233.19031	3.2
234.15494	1.5
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	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03946	0.6
55.05512	9.0
57.03439	19.0
57.07072	1.2
59.05003	4.4
65.03935	1.6
67.05505	100.0
69.07072	2.5
70.19950	0.7
71.04093	1.3
71.04413	0.9
71.05000	3.2
79.05506	1.5
81.07057	13.8
83.08626	7.4
85.06546	2.6
91.05476	5.9
93.07047	3.9
95.04990	0.9
95.08604	5.2
105.07030	0.8
107.08597	2.0
109.10157	83.2
110.10439	1.8
111.08087	2.7
119.08598	5.7
126.85973	0.6
137.09595	2.9
155.10686	3.8
173.11743	22.5
229.12077	1.3
229.14326	22.4
229.19603	1.3
229.23465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.89545	1.1
55.05503	10.2
57.03432	17.3
57.07047	1.9
58.71262	1.2
59.04989	6.0
61.51522	1.1
65.03929	1.3
66.00298	1.2
67.05497	100.0
68.05797	1.6
69.03384	1.6
69.07025	1.5
71.04976	3.3
71.58927	1.7
76.24159	1.4
79.05482	2.0
81.07054	14.9
83.08607	8.0
85.06532	2.1
91.05459	5.7
93.07025	3.9
95.08575	5.7
102.57925	1.3
103.59238	1.2
107.08536	1.9
109.10143	85.9
111.08023	3.8
119.08549	7.3
137.09595	4.8
139.72662	1.2
155.10692	2.1
159.11681	1.5
173.11716	23.0
222.15721	1.3
229.14229	19.5
229.23509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01870	0.7
56.96555	0.9
57.03436	0.3
58.06590	6.1
59.07377	1.2
60.08158	7.8
61.02898	0.3
68.05022	0.9
69.09583	0.2
69.82901	1.8
70.06581	36.9
71.06918	0.3
72.08165	0.9
73.02892	0.3
79.05476	0.5
82.06586	0.3
84.04494	0.5
84.98824	0.3
85.02890	0.5
86.09702	0.6
93.92424	0.3
94.06561	0.3
96.08108	1.7
97.02873	0.3
98.06042	0.8
98.97581	0.7
101.00877	0.3
105.07033	0.3
105.82170	0.3
107.04929	0.3
109.06485	0.3
114.05513	3.8
114.09177	1.8
114.09846	0.4
116.07067	1.4
116.98614	0.9
119.01879	2.7
122.06008	0.3
124.07572	3.5
126.09144	0.5
128.02283	0.4
130.06583	0.3
131.04944	0.3
134.99599	0.6
135.04395	0.4
137.02930	0.6
137.05904	0.3
142.08614	31.3
143.08942	0.6
148.07547	0.5
149.97137	0.4
152.07079	0.7
156.01595	0.3
158.05919	0.3
166.08592	0.3
168.01823	0.3
170.08087	2.0
175.02606	0.4
176.07057	0.6
177.02391	0.4
183.14919	0.7
187.00815	0.5
190.08826	0.3
193.09669	0.6
194.08124	0.3
211.10741	1.2
215.00374	0.5
229.15434	100.0
230.15730	1.9
248.08151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53148	1.8
53.03934	2.5
53.21898	1.9
53.55090	2.4
55.01863	5.8
55.05507	70.9
56.04581	2.0
56.96555	5.4
57.03420	5.3
57.07070	35.2
59.04994	1.9
61.10581	2.0
67.05499	25.4
69.03431	5.0
69.07061	100.0
69.26707	24.5
71.04984	3.8
71.08626	17.8
72.08144	3.2
73.06551	2.7
79.05484	20.4
81.07050	41.5
83.04977	7.1
83.08130	4.6
83.08611	55.1
85.06538	7.4
85.10168	5.0
86.06047	14.2
86.09652	1.8
87.04456	2.7
91.05493	5.7
93.07032	27.0
95.08598	50.6
95.77866	1.8
97.06522	23.4
97.09534	3.3
97.10157	55.8
98.06067	6.3
98.97582	5.1
99.08055	4.1
100.07596	6.0
101.05988	2.7
105.07003	10.9
107.08588	22.1
108.08955	2.6
109.10143	19.0
111.08073	18.7
111.11691	18.0
114.09190	8.0
115.07541	3.6
116.98640	5.5
121.00487	4.1
121.10130	43.7
123.11700	6.5
125.09615	18.3
127.69872	2.3
128.10672	2.6
129.09103	3.4
134.99652	8.2
135.11682	25.6
139.11148	13.2
143.10657	3.0
147.11563	2.6
149.13260	4.2
153.12726	4.5
174.07285	2.5
177.00609	4.4
177.16373	70.5
194.08046	3.3
195.17416	35.3
205.03818	3.1
212.09077	2.8
212.20027	18.2
213.12828	2.1
213.18494	3.7
219.27625	2.2
230.08200	3.2
230.11934	20.8
230.16252	2.7
230.21077	5.4
230.24831	2.2
243.46391	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	231.17
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.75049	0.2
53.03930	0.5
53.74917	0.3
53.75174	0.2
55.05505	10.6
56.05024	0.5
56.96555	0.4
57.05809	0.9
69.07076	0.3
70.06594	0.3
72.08145	100.0
73.08481	0.7
83.16236	0.2
84.08141	0.3
85.02952	0.3
86.09695	5.5
91.05453	0.4
98.97566	0.3
115.05475	0.3
116.98577	0.3
129.13882	0.3
132.10202	3.2
149.98459	0.3
170.54799	0.3
172.29475	0.2
175.03926	0.3
185.07129	1.0
185.16560	0.8
231.02841	0.6
231.07768	2.5
231.13857	0.3
231.17036	2.6
233.13475	0.3
236.65477	0.3
239.72186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
58.06596	6.2
59.07371	1.1
60.08161	6.6
68.04995	1.2
70.06586	33.9
71.58111	0.6
72.08172	1.2
73.05704	0.5
76.56025	0.4
81.04462	0.4
84.64886	0.4
85.02865	0.4
95.06101	0.8
96.08097	1.3
98.06028	0.5
100.11246	0.5
101.00883	0.7
103.02464	0.5
108.68623	0.4
114.05513	4.6
114.09134	1.5
116.07099	1.0
119.01901	3.2
124.07584	3.7
126.09104	1.0
126.86975	0.4
128.03427	0.5
131.01901	2.1
137.02931	1.0
142.08618	32.8
149.02881	0.6
157.03467	1.1
168.38306	0.4
169.01059	0.5
170.08102	1.4
183.11252	0.9
187.00914	1.0
201.02425	0.5
215.00311	0.5
229.03192	21.5
229.15450	100.0
230.05946	0.5
230.08109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.6
57.03430	15.9
57.07076	1.8
59.04985	3.3
65.03948	1.7
67.05502	100.0
69.03416	1.4
69.07056	2.1
71.04980	3.6
71.59565	1.7
79.05476	2.2
81.07050	15.7
83.08619	6.9
85.06541	3.7
91.05470	6.6
93.07036	3.2
95.08598	5.8
98.06104	1.3
109.10152	87.7
111.08109	4.7
112.17752	1.1
113.05994	1.0
119.08584	6.2
137.09616	3.9
155.10674	3.1
173.11739	24.1
207.46034	0.9
229.14285	24.9
229.19450	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30182	1.0
53.03929	1.6
55.05503	35.6
56.04996	1.3
56.96539	1.5
57.03438	1.7
57.07072	4.8
65.03941	1.8
67.05495	56.6
69.07053	23.4
70.91477	0.9
71.04978	16.4
71.08630	1.6
72.05315	5.1
73.06511	1.0
79.05107	1.1
79.05485	10.6
80.05828	1.2
80.07076	1.0
81.07047	59.3
82.07375	2.2
83.08604	32.8
85.06541	5.3
85.06945	1.0
90.91604	0.9
91.05469	7.5
93.07022	11.8
95.08592	100.0
96.08925	2.5
97.06530	6.5
97.10154	16.2
99.08080	2.5
100.81325	1.0
105.07008	7.3
107.08576	6.2
109.10143	46.5
111.08056	7.0
111.11723	2.6
119.08554	11.5
121.10124	3.8
123.08056	3.0
123.11684	5.4
125.09595	2.3
127.07555	1.1
127.87962	1.3
129.09090	2.0
133.10081	11.4
135.11646	3.3
136.12062	1.8
137.09641	5.3
141.08955	1.0
145.04988	1.0
147.11667	7.6
149.13222	4.4
151.14803	6.9
173.13220	1.2
175.13263	1.8
175.14795	33.2
193.15831	11.2
202.77588	1.0
210.18536	4.2
211.16870	3.4
228.19550	4.1
228.23206	8.4
231.96089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05492	3.4
56.96288	2.4
56.96555	38.3
57.03430	7.9
57.07058	1.2
60.42006	1.2
61.02920	18.4
68.05007	2.5
69.03429	7.2
69.07059	3.7
70.06593	8.0
70.80672	3.1
70.98105	7.1
71.01324	3.1
71.04962	1.9
71.09007	1.1
71.16881	1.3
72.08144	2.6
72.93765	2.9
72.97987	1.1
73.02905	24.0
74.97585	2.5
75.04459	1.2
76.52352	1.2
77.00792	1.7
81.03394	2.0
83.06080	2.4
84.08144	1.6
84.87257	1.1
84.96019	1.9
85.02898	16.6
88.99133	6.3
89.00768	2.4
90.01527	1.3
90.94789	2.5
91.05460	1.5
92.01299	2.8
95.04944	1.5
96.01543	2.3
97.02888	11.8
98.01255	2.7
98.97569	14.5
99.04427	4.5
101.00776	2.0
104.01240	1.5
105.00215	2.3
106.01014	3.0
107.00179	2.0
107.04930	1.6
109.02889	2.2
110.01266	9.4
110.97546	3.6
111.00240	6.3
112.00992	1.8
112.07594	2.9
115.01566	2.5
116.98609	12.4
117.01836	14.6
118.01012	2.4
119.01787	15.5
119.51927	1.7
120.00754	4.0
122.06020	2.0
123.00186	3.8
123.04409	2.1
124.01006	1.6
126.00739	7.1
127.01510	9.1
127.03909	7.4
128.02290	13.3
128.98599	7.9
129.00215	2.4
129.01857	1.5
131.97377	2.2
132.00749	14.8
133.01523	10.2
134.99641	7.7
136.02063	1.5
136.07471	1.5
137.02896	2.1
137.05972	1.8
138.00734	10.8
138.06323	1.5
139.01469	3.2
140.07036	4.0
141.01233	9.4
142.02020	2.7
143.51511	2.0
144.00674	2.3
144.95786	3.6
145.01480	3.8
145.98923	1.7
146.99614	12.7
147.01237	13.1
148.01976	2.7
149.51532	1.7
150.00743	1.6
150.96794	1.6
153.01228	3.9
154.02040	8.3
156.01773	5.4
158.99699	1.8
159.01299	5.0
160.02003	5.2
161.01161	3.1
162.01753	3.2
162.96826	3.7
162.99100	2.3
163.02626	1.5
164.07051	1.5
165.00694	10.5
168.01773	54.3
168.07344	4.7
168.51945	7.2
169.02542	2.9
170.99612	1.3
172.97513	6.2
174.01794	8.0
174.04306	2.8
174.96892	1.9
175.02614	1.5
177.02298	100.0
177.52467	10.2
179.52550	4.8
180.01755	1.8
181.02565	1.3
182.06226	1.5
182.07941	2.1
182.09393	1.7
183.02292	8.9
186.02878	9.2
188.53078	8.4
189.00638	3.8
189.02348	4.1
190.03108	4.0
190.98627	30.7
191.02318	1.4
192.02866	2.1
192.97952	1.9
198.02757	2.3
201.00684	1.5
204.05402	3.1
205.00136	5.0
207.01747	2.4
208.99646	11.0
210.02713	2.3
210.07471	2.4
214.98462	2.7
217.00226	2.7
217.88451	1.4
217.90633	1.4
219.01553	2.8
219.03383	5.8
223.01208	4.6
228.08572	5.7
228.17038	1.8
228.23170	12.6
232.99693	11.6
235.01181	1.9
239.77928	1.6
247.01273	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	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03925	7.4
55.01858	13.2
55.05503	23.8
56.96558	10.7
66.10382	4.5
67.05486	31.4
68.60405	3.9
69.07047	18.3
70.73231	9.6
70.73584	7.8
79.05489	42.9
80.63979	4.7
81.07044	37.9
83.04964	10.7
83.08617	22.6
91.05468	15.3
93.07027	56.8
95.04931	9.4
95.08597	67.3
97.02837	6.7
97.06509	5.0
99.04429	9.1
100.11240	7.0
100.29298	4.6
105.07033	13.4
107.04939	18.3
107.08591	47.5
109.06443	5.1
109.10122	6.1
116.98584	4.8
117.06989	13.0
119.08552	15.0
121.06477	15.0
121.10126	23.6
125.05965	5.0
130.07768	5.5
131.08615	5.6
133.10114	5.0
135.11674	74.5
143.08530	5.7
145.10106	37.9
149.06052	5.6
149.77596	4.9
163.11159	100.0
167.06976	24.0
177.05574	6.4
181.12222	19.1
188.54164	4.2
227.10455	9.9
227.12683	90.9
227.14539	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01866	11.1
55.05503	44.2
56.96562	13.8
57.03429	5.7
57.07070	17.0
59.05007	9.1
67.05501	22.2
67.99718	6.0
68.07846	5.5
68.99781	6.7
69.03416	17.1
69.07065	48.5
69.33190	12.2
69.33607	41.2
71.04988	19.1
72.61589	5.8
73.02894	8.4
79.05484	34.0
81.03407	8.0
81.07056	39.4
83.01337	11.7
83.04984	21.3
83.08620	17.7
85.02914	6.3
85.06556	16.9
86.09677	7.0
91.05480	46.9
93.07030	34.3
95.04984	24.7
95.08605	35.4
96.41484	6.2
97.02866	12.6
97.06516	36.3
97.10168	10.2
98.21459	10.1
98.97585	15.5
99.04456	23.5
99.08086	46.5
100.11247	54.4
101.06003	12.2
103.05481	10.3
105.07024	31.5
107.04942	27.7
107.08588	61.0
109.06520	26.1
109.10154	33.2
111.08083	13.9
115.07539	7.2
116.98647	7.6
119.08569	14.0
121.06530	13.9
121.10133	86.9
123.04446	6.9
123.08057	17.7
123.11703	10.1
125.06081	5.1
125.09619	33.1
125.94904	5.6
127.03920	6.0
127.26713	4.8
129.06976	5.4
129.99335	4.8
130.06560	8.4
131.08519	38.0
132.08069	24.2
133.10143	38.8
135.08049	10.7
135.09927	4.7
135.11678	17.7
135.77304	5.1
137.09625	17.2
139.07527	14.8
139.11201	15.2
140.04701	8.1
144.08058	12.8
145.10152	11.5
147.11676	6.6
149.06114	6.0
149.09607	68.1
149.13232	24.5
151.11166	31.4
152.06216	9.0
153.09146	11.4
159.09167	17.3
163.11208	10.8
163.14847	21.2
165.05508	12.9
166.07776	7.6
167.07065	27.7
167.08582	20.8
167.10654	5.8
169.08620	22.7
170.06010	6.7
173.13269	22.0
177.00735	8.7
177.05438	15.2
181.04984	10.7
181.15894	16.1
184.07596	7.5
185.07129	9.1
191.10634	5.4
191.14290	49.3
192.05460	16.0
195.08092	21.5
197.06053	7.1
200.06981	7.5
201.05966	16.7
201.56233	6.1
209.11819	8.6
209.15318	100.0
212.08389	11.1
212.56851	4.9
215.05791	10.9
227.08235	15.4
227.10719	42.4
227.17896	5.7
239.05867	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	227.1276
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03945	1.2
55.01863	33.3
55.05503	5.7
56.96563	1.8
57.03422	1.7
57.07073	4.6
67.05495	11.8
69.03433	3.8
69.07059	19.5
69.92622	1.7
69.93031	4.4
71.04977	5.3
71.45448	0.9
79.05485	8.4
81.07048	9.6
81.63054	0.8
83.04969	2.8
83.08612	1.5
85.06533	15.6
90.94920	0.7
91.05459	6.2
93.07024	14.6
95.04974	4.4
95.08598	26.2
97.06523	16.6
97.10152	1.1
98.21420	0.8
98.97560	3.1
99.04443	6.9
100.11243	2.8
101.06031	0.7
103.05438	0.9
105.07018	14.3
107.04915	2.4
107.08583	30.5
109.06505	10.8
109.10126	1.5
111.08073	2.2
113.06015	4.3
115.07523	0.9
116.98584	1.9
117.06969	1.7
119.08575	3.5
121.06475	5.3
121.09312	0.9
121.10136	12.0
123.04430	0.9
123.08061	15.6
123.11709	0.9
125.05939	1.8
125.09641	1.3
127.07550	1.2
129.06984	0.9
130.07823	1.1
131.08545	2.1
133.06456	2.4
133.10114	1.3
134.99599	2.0
135.08043	2.0
135.11702	6.2
138.14374	0.7
139.11110	1.6
143.08545	1.1
143.77319	0.7
145.10103	8.4
147.11722	1.6
149.05852	1.2
149.09592	3.9
151.07532	13.9
155.07137	0.8
157.08589	0.8
158.99675	1.1
163.11157	18.5
167.07045	8.2
167.10687	5.8
169.08585	100.0
170.08971	1.9
173.09619	1.7
177.00687	1.6
177.05409	2.0
181.12219	8.7
185.11803	1.2
191.10651	7.1
209.11635	4.2
227.10870	1.5
227.12769	7.5
227.17845	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	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
52.19372	0.7
53.03934	2.5
55.01861	6.6
55.05502	5.8
55.69843	0.7
56.96556	4.8
57.03411	0.9
57.07046	1.7
59.59718	0.7
63.94510	0.7
65.03930	7.6
67.05502	4.1
67.30388	0.8
69.03405	2.3
69.07069	6.8
71.58345	1.2
73.02908	37.4
79.05482	3.0
81.07020	1.7
82.04174	3.2
83.04967	1.2
83.08620	3.0
84.04490	2.0
84.08118	1.0
85.02883	4.9
85.06516	1.7
91.03944	1.7
91.05466	3.4
93.03418	1.0
93.07034	2.5
95.04959	6.3
95.08577	2.0
97.02883	1.6
97.06503	2.3
97.10162	2.4
99.08106	1.0
100.11251	1.3
105.06984	0.9
107.04924	1.7
107.08558	0.9
108.02076	1.6
109.06490	1.0
110.03638	3.3
111.04414	1.9
121.06481	3.4
121.10090	1.7
123.04417	9.7
125.02309	4.1
125.05958	2.9
131.97369	1.0
137.06015	1.0
138.03098	2.3
139.03810	0.8
140.00200	1.5
140.04666	52.4
141.05156	0.9
142.02594	2.5
144.08020	1.3
155.07014	51.1
156.07274	0.8
158.01247	5.8
158.75430	0.8
160.02736	1.0
167.07011	6.4
171.06528	8.8
172.00362	0.8
173.08122	5.9
176.02310	2.6
177.00806	0.9
179.06999	2.3
181.04932	100.0
181.08293	4.2
182.05275	1.1
204.01790	2.8
209.08087	20.3
222.02840	6.1
227.09053	12.5
227.11325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.78737	1.2
53.03928	1.8
55.01867	34.9
55.05506	6.3
57.03439	1.4
57.07067	4.3
63.12779	1.3
65.03928	1.0
67.05495	13.1
69.03415	3.6
69.07066	19.3
70.42515	4.5
71.04988	6.3
79.05492	7.0
81.07050	10.3
83.04957	2.5
83.08601	2.9
85.06534	13.2
86.51378	1.1
91.05464	5.1
93.07033	15.3
95.04966	3.6
95.08600	24.4
97.06531	17.2
99.04434	6.9
100.11231	7.7
105.07030	13.2
107.04938	2.4
107.08585	36.6
109.06514	9.0
111.08019	1.5
113.06001	4.2
119.08565	3.0
121.06490	4.5
121.10127	10.3
123.08068	13.6
130.07736	1.5
133.06491	1.9
135.11667	4.3
145.10121	6.1
147.11656	1.2
147.87849	1.1
149.09616	3.5
151.07532	14.2
163.11156	17.9
165.89299	1.0
167.10686	6.5
169.08586	100.0
169.66573	1.1
170.08839	1.3
181.12204	6.9
182.15277	1.2
185.11754	1.1
190.23787	1.2
191.10669	6.0
199.17982	1.6
203.58636	1.2
209.11707	3.7
213.17690	1.3
227.12750	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.02374	0.7
53.03940	1.1
55.01866	32.4
55.05503	3.5
57.03426	1.4
57.07075	3.9
57.73210	0.6
58.76134	0.8
58.96067	0.7
67.05176	0.7
67.05502	10.0
67.32421	0.6
69.03423	3.5
69.07065	19.8
70.84811	2.1
71.04984	4.6
73.02905	1.1
74.06055	0.6
79.05487	8.8
81.07056	8.5
83.04959	1.6
83.08607	0.7
85.06537	15.3
85.91564	0.6
86.09700	0.7
91.05482	5.7
93.07037	13.8
95.04959	5.5
95.08598	27.1
97.06525	19.2
97.10155	0.8
99.04449	6.3
100.11251	1.6
103.05455	1.1
105.07030	13.2
107.04939	2.5
107.08585	33.1
109.06506	10.4
111.08063	2.2
113.06014	4.4
117.07062	0.8
119.06038	0.8
119.08564	2.8
121.06493	6.7
121.10147	9.3
121.48262	0.6
123.04395	1.2
123.08058	14.4
125.05984	1.3
130.07794	0.7
131.08577	1.0
133.06474	1.7
135.08093	0.9
135.11681	5.2
138.73425	0.7
139.07509	1.0
139.11169	2.2
140.04732	0.8
145.10114	6.5
147.11638	1.4
149.05957	2.7
149.09578	3.3
151.03900	0.6
151.06412	1.0
151.07549	13.5
153.12752	1.5
155.06935	1.2
157.08574	0.8
163.11169	19.5
167.07033	12.3
167.10660	8.1
169.08589	100.0
170.08920	1.2
173.09630	2.5
177.05478	2.9
181.04768	1.4
181.12216	8.1
182.15396	0.7
185.11784	0.9
191.10622	6.4
209.07988	1.4
209.11729	3.5
227.12744	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	226.2527
Annotation	(2R-trans)-2-Butyl-5-heptyl-pyrrolidine
Peak:m/z	Relative Intensity
53.03926	0.5
55.05506	15.4
56.96547	0.8
57.06816	0.3
57.07069	3.5
60.08967	0.2
62.30924	0.2
67.05501	2.2
69.07062	24.1
70.04855	0.5
70.05276	0.5
70.07396	0.2
71.04987	4.5
71.08624	1.7
72.08132	0.3
72.93772	0.4
79.05472	0.8
81.03408	0.3
81.07057	1.9
82.78735	0.2
83.04946	0.3
83.08614	12.0
85.06491	0.3
85.10193	0.9
86.09699	8.8
91.05480	1.1
93.07053	1.0
95.04976	0.3
95.08627	1.0
97.06535	0.3
97.10165	6.2
100.11262	1.4
105.07028	0.2
107.04914	0.4
107.08564	0.5
109.10135	0.3
110.41892	0.2
111.11710	1.5
113.96376	0.4
116.98589	0.2
117.06973	0.2
120.05569	0.4
128.14346	6.8
131.08514	0.2
131.97409	0.6
133.10066	0.3
134.99626	0.3
135.11664	0.5
136.07640	0.2
142.15889	0.8
143.08562	0.2
144.08145	0.2
159.11667	0.5
186.07977	0.2
226.25269	100.0
227.17915	0.3
227.25577	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	227.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99416	2.7
69.89769	10.4
69.90188	7.2
74.58934	3.1
75.07154	3.5
124.01579	9.3
168.00565	80.4
227.07895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03928	1.4
55.01623	0.6
55.01868	6.0
55.05504	1.0
56.96557	4.2
58.56068	0.5
60.58418	0.5
65.03936	6.0
66.93619	0.4
67.05494	3.9
69.03428	0.9
69.07056	1.2
70.91925	1.2
72.93793	0.5
73.02911	37.1
77.01204	0.5
78.46696	0.5
79.05471	1.4
80.35875	0.4
81.07056	0.8
82.04183	3.4
83.08601	0.6
85.02899	4.4
91.03951	0.7
91.05471	2.2
92.57282	0.5
93.03381	1.7
93.07049	1.3
95.04955	6.7
97.02869	0.9
97.06510	2.3
99.08081	0.6
100.11237	2.3
101.02353	0.7
103.05412	0.6
105.41468	0.5
107.04945	1.0
108.02056	1.8
110.03644	4.1
111.04424	1.9
114.81304	0.5
119.04910	0.6
121.06514	1.9
123.04414	9.8
125.02311	3.4
125.05985	2.2
138.03104	2.1
140.00208	3.0
140.04671	51.7
141.05191	1.0
142.01620	0.7
142.02576	1.9
149.06009	0.8
153.05432	1.9
155.07013	58.2
156.07365	0.9
158.01263	5.7
160.02881	1.0
166.06169	0.7
167.06996	6.2
171.06525	6.5
173.08080	5.4
176.02284	2.2
179.06963	2.7
181.04939	100.0
181.08331	4.2
182.05304	2.0
186.00800	0.8
204.01779	5.5
209.08080	20.0
222.02841	6.1
227.09109	13.8
227.17676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
59.04988	0.3
60.04533	0.4
65.03922	1.0
69.03430	0.3
71.00121	0.5
71.00455	0.6
74.06068	0.3
79.01853	0.4
82.06568	0.3
83.89799	0.2
84.04471	0.3
92.04994	0.3
93.03368	1.2
95.04937	0.8
96.04453	0.6
97.02878	0.6
105.03384	0.5
107.01295	0.7
110.06023	1.3
111.04424	0.5
120.04433	1.9
121.02866	2.0
123.04413	1.0
125.02376	1.3
126.03134	1.7
127.03876	0.9
133.02863	1.4
133.16632	0.3
138.05478	4.4
139.03928	0.3
141.05440	0.3
148.03911	6.3
149.02324	1.1
151.03893	0.9
152.03461	1.5
152.04517	0.3
153.01807	4.9
155.03409	0.6
162.66226	0.3
166.02727	0.4
166.04984	8.5
167.03477	0.6
167.05731	0.6
171.02895	0.7
176.03421	1.1
177.01822	4.9
180.06551	0.7
183.02911	0.9
184.06030	0.3
185.04460	1.8
194.04469	100.0
195.02989	0.4
195.04799	1.2
204.56194	0.3
208.06010	0.3
209.04457	2.8
212.05510	2.6
226.07080	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	225.1483
Annotation	(6R,9S)-vomifoliol
Peak:m/z	Relative Intensity
50.56691	1.0
53.03952	1.0
55.01853	1.7
55.05505	7.2
57.03418	3.6
57.07058	2.7
59.04989	2.1
65.03926	1.1
67.05500	4.9
69.03423	3.4
69.07053	3.6
70.85074	2.3
71.04979	2.4
79.05486	6.4
81.07047	9.9
83.04977	74.3
85.02888	2.0
85.06535	3.0
91.05488	7.1
93.07034	6.8
95.04945	5.0
95.08601	11.6
97.02885	1.0
97.06512	3.6
98.97605	2.3
99.04438	1.6
99.08087	24.0
105.07032	6.4
107.04939	1.4
107.08585	16.2
109.06509	55.2
109.10108	1.8
110.06917	0.9
111.04436	30.0
111.08092	1.5
113.09660	1.5
119.01923	1.3
119.04919	1.2
119.08550	9.2
121.06513	5.6
121.10136	9.3
123.08059	100.0
123.11710	4.2
124.08438	1.5
125.05968	3.4
125.08727	1.5
125.09616	14.0
127.07578	4.6
133.10106	3.0
135.08052	3.3
135.11723	1.4
137.09621	2.6
138.93906	1.1
139.11151	2.4
141.09097	4.1
141.31232	1.0
143.01883	1.1
145.10005	1.3
147.04427	1.2
147.11652	4.6
149.09604	12.5
151.07524	6.4
151.11147	5.0
159.90788	1.2
161.02945	1.6
161.13251	3.1
163.11148	7.1
165.12729	11.4
167.10667	11.3
169.08607	2.6
175.03876	2.2
177.00629	1.2
181.08627	0.9
181.12241	1.7
189.12689	4.7
192.89444	1.0
205.41771	1.1
207.06487	3.0
207.13777	21.5
225.14859	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	225.1483
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03928	2.3
53.69189	1.4
55.01875	1.9
55.05512	7.8
56.96544	4.3
57.07068	7.6
67.05502	9.1
69.03403	1.6
69.07050	10.9
70.15387	4.8
70.15794	2.9
71.04983	3.4
77.89619	1.3
78.45739	1.5
79.05479	9.4
81.03388	2.2
81.07058	13.0
83.04951	5.0
83.08601	3.4
85.02890	1.7
85.06504	2.6
91.05473	11.9
93.07034	9.9
94.17414	1.4
95.04937	4.6
95.08593	7.6
97.06514	4.5
98.20800	2.1
99.04432	2.4
101.94991	2.4
105.03379	2.8
105.06989	5.6
107.04958	2.0
107.08581	5.0
109.06490	5.3
109.10122	5.0
111.04453	2.0
118.98653	1.3
119.04914	5.7
119.08556	5.4
119.96029	1.5
121.06480	2.2
121.10147	2.4
123.08058	4.6
123.11678	3.7
125.09618	1.5
127.07566	1.7
129.06903	2.5
133.10121	1.7
135.11621	1.9
137.97034	2.3
147.04346	3.1
147.11646	4.3
155.98077	1.8
160.98679	2.0
165.09143	1.4
165.12682	1.5
166.93311	1.5
169.10034	2.2
171.11626	2.2
175.03868	5.7
177.09084	2.7
184.09377	1.7
189.12701	2.5
190.53683	1.4
192.04181	2.8
195.10059	3.6
207.06474	4.9
207.10042	1.7
207.13756	2.7
208.59019	1.5
210.12486	3.4
225.14812	100.0
226.25224	1.8
228.48976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	(6R,9R)-vomifoliol
Peak:m/z	Relative Intensity
50.39790	1.4
53.03936	3.6
53.50805	1.4
54.23697	1.4
55.01857	3.7
55.05503	14.9
56.96549	1.5
57.03431	5.3
57.07060	5.5
59.04987	3.7
64.59043	1.4
67.05492	14.8
69.03430	7.5
69.07066	8.3
71.01352	1.8
71.04993	13.5
71.59425	2.4
79.05488	13.2
81.03407	3.0
81.07051	19.8
83.04976	100.0
83.08610	4.0
84.04494	3.3
84.05312	2.0
85.02892	4.0
85.06522	5.2
86.64400	1.4
87.04443	1.6
91.04937	2.4
91.05473	18.7
93.03396	1.5
93.07032	15.2
94.06483	1.3
95.04960	17.6
95.08588	21.7
97.02857	2.7
97.06525	9.4
99.04449	21.1
99.08092	30.1
100.11257	8.0
101.06004	2.4
103.05463	1.6
105.03407	2.4
105.07014	20.3
107.04952	5.0
107.08589	31.4
109.06509	74.0
109.10148	9.3
111.04429	47.0
111.08071	2.4
113.09622	3.1
119.04945	8.2
119.08568	16.1
121.06502	9.4
121.10120	19.9
123.04462	7.5
123.08059	97.3
123.11703	6.0
124.08456	2.0
125.05981	17.8
125.09620	19.2
127.07568	7.3
129.00978	1.5
129.07001	3.0
131.08588	2.6
133.10150	7.0
135.08015	7.7
135.11694	5.6
137.05992	2.8
137.09592	13.4
137.13298	2.1
139.07515	2.2
139.11166	6.0
140.04697	2.0
141.09079	5.7
143.08582	1.9
145.10133	3.0
147.04407	4.8
147.08063	7.8
147.11691	8.0
149.09622	21.4
151.07524	23.3
151.11172	4.8
154.12273	4.8
155.07060	4.0
159.11658	1.7
161.09637	9.0
161.13313	4.2
163.11153	28.2
165.09106	7.9
165.12735	18.3
167.07042	3.3
167.10667	17.4
169.08646	4.1
171.11664	2.1
171.14825	2.0
175.03922	9.9
179.07054	4.7
179.10629	4.5
179.14328	2.4
181.08540	1.9
181.12227	9.6
183.06523	6.6
183.13795	5.7
189.09003	2.9
189.12674	8.3
192.04123	2.1
195.13753	2.3
207.06528	10.4
207.10088	2.3
207.13779	32.0
225.07375	1.7
225.09239	3.1
225.11284	3.3
225.14778	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05512	14.5
57.07059	5.2
59.04982	10.0
67.05502	24.4
69.03414	4.1
69.07059	5.3
71.04980	7.4
71.12025	5.2
79.05470	4.7
81.07030	7.6
83.04977	6.0
85.02902	3.3
85.06528	8.3
86.38960	2.0
91.05478	14.8
93.07027	9.1
95.04940	3.7
95.08602	100.0
97.06506	3.0
97.10168	6.4
99.04432	10.6
101.06085	2.4
104.04990	1.9
105.07013	5.3
107.08569	11.7
109.06467	7.6
109.10139	8.2
111.04417	4.7
113.05975	6.0
118.91022	2.3
119.04947	11.5
119.08566	13.3
121.06487	4.0
121.10110	7.7
123.08053	40.1
123.11656	3.3
133.10104	2.7
135.07996	3.0
135.11690	10.3
137.09604	13.9
138.89096	2.3
141.09114	4.5
143.01921	3.6
147.04410	11.0
147.08031	2.8
147.11681	4.9
149.09650	15.4
151.07518	10.6
151.14766	2.7
153.09100	7.4
161.13289	5.3
165.07748	4.5
165.09097	67.9
165.12712	4.8
166.68857	2.2
169.08658	2.6
171.11694	2.3
171.36157	2.2
175.03917	16.0
179.14255	4.3
189.12723	7.1
192.04135	2.9
198.93958	2.1
207.06575	18.8
207.13773	27.1
221.56468	2.4
225.14828	13.2
225.20123	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.93337	2.4
53.03957	5.4
55.01859	7.1
55.05507	17.7
57.07072	9.6
59.04994	11.7
61.02916	4.6
61.57658	2.7
61.96545	2.5
67.05505	23.3
67.87292	2.4
69.03421	27.3
69.07066	22.1
71.01414	7.7
71.04993	15.4
79.05484	30.5
81.07049	27.4
83.04974	34.0
83.08613	9.4
85.02892	3.6
85.06547	3.8
87.04450	5.1
91.05484	25.6
93.07044	22.8
95.04958	17.5
95.08605	24.1
97.02901	4.1
97.06529	33.5
98.97586	6.6
99.04427	5.2
99.08092	2.6
101.06006	11.6
105.03386	3.5
105.04530	3.1
105.07030	29.9
107.04971	8.2
107.08589	100.0
109.06510	20.3
109.10140	38.0
111.04433	4.1
111.08073	8.5
116.98612	5.9
117.06990	4.5
119.04949	7.8
119.08561	27.8
121.06493	19.0
121.10133	50.4
122.07276	14.2
123.04447	3.3
123.08053	34.0
123.11700	7.7
125.06001	5.5
125.09618	5.6
127.07525	4.5
128.88887	2.7
130.07768	7.0
131.08592	4.2
133.06458	6.2
133.10126	10.9
134.99692	3.3
135.08043	4.0
135.11673	14.3
137.09607	82.4
137.13164	4.5
139.11215	2.9
141.09126	2.5
143.08543	4.5
145.10109	28.0
147.04419	7.3
147.08032	7.5
147.11723	14.3
149.09583	14.0
151.07538	6.9
151.11168	82.9
156.09319	5.0
160.08887	3.4
161.09634	6.4
161.13199	12.9
163.11169	32.8
165.09174	3.2
165.12717	6.8
167.10704	4.6
171.11650	8.7
175.03934	7.6
179.14313	6.1
181.12238	13.7
189.12726	16.3
202.83879	2.5
207.06519	11.6
207.13771	44.5
225.14787	16.1
231.05508	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03962	2.6
55.01868	2.7
55.05508	12.7
57.07064	5.8
59.04992	9.0
61.02913	2.1
65.03956	2.4
66.52018	2.3
67.05499	25.8
69.03426	38.2
69.07066	23.0
69.51543	12.2
69.51949	4.5
71.01357	4.5
71.04980	11.5
79.05489	31.2
81.07055	29.0
81.24310	1.9
83.04977	32.8
83.08616	8.2
87.04463	10.4
91.05473	21.4
93.07033	28.8
95.04971	16.7
95.08606	28.3
97.02906	3.1
97.06534	20.3
98.21474	3.5
99.04459	5.0
101.06004	15.9
105.07023	36.7
107.04965	7.2
107.07852	4.8
107.08588	100.0
109.06524	21.8
109.10152	39.5
111.04425	4.5
111.08096	8.4
117.07007	6.9
119.04935	5.0
119.08569	29.8
121.06499	16.0
121.10138	53.6
122.07319	14.3
123.04408	2.9
123.08064	34.4
123.11701	3.7
125.06041	2.9
125.09629	5.2
127.07537	3.1
130.07764	3.7
131.08595	2.4
132.52083	2.3
133.06519	4.9
133.10136	11.9
135.08031	3.6
135.11656	15.2
137.05978	3.3
137.09613	82.1
137.13271	11.3
139.11176	20.9
141.09148	4.2
143.08560	4.9
145.10112	33.3
147.04442	2.8
147.08058	6.9
147.11700	14.3
149.09615	40.4
151.07559	7.8
151.09932	4.4
151.11172	74.7
153.20387	2.2
156.09358	7.1
160.08841	3.6
161.09633	7.9
161.13246	21.1
163.11159	43.2
165.09113	3.1
165.12756	5.5
167.10680	4.3
169.53217	2.2
171.11699	10.6
173.30705	1.8
174.10474	3.8
175.03938	3.6
178.67259	2.3
179.14351	4.4
181.12233	13.7
189.12743	22.9
201.51868	3.9
207.06575	4.7
207.13795	45.4
225.14813	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03932	2.8
55.05509	13.4
55.06895	1.8
56.96547	5.4
57.03423	6.3
57.07073	9.2
59.04980	2.2
65.03918	2.7
67.01846	2.5
67.05500	17.1
69.03409	6.4
69.07067	18.0
70.73178	4.3
71.04988	20.3
71.08621	3.2
75.74264	1.5
79.05487	13.0
81.03403	6.0
81.07054	22.9
83.01339	8.9
83.04969	13.9
83.08593	7.7
85.02883	3.6
85.06554	7.6
91.05473	27.0
93.07046	11.8
95.04959	8.6
95.08599	35.1
96.88515	1.5
97.02905	2.3
97.06519	7.9
97.10161	2.5
98.97584	3.0
99.04436	5.0
99.08060	4.8
104.54527	1.7
105.03397	3.6
105.07026	20.0
107.04940	2.9
107.08562	15.1
108.05685	1.7
109.06487	11.2
109.10133	16.9
111.04425	3.9
111.08067	6.0
113.05992	4.8
113.09631	6.2
116.79069	1.5
116.98609	2.7
117.07044	2.3
119.04943	16.0
119.08570	23.7
121.02831	1.7
121.06482	2.1
121.10139	19.4
122.07238	1.8
123.04470	2.6
123.08065	19.9
123.11692	7.7
125.05943	5.1
125.09600	7.5
126.99420	2.0
127.07514	2.0
129.06947	1.9
131.08513	2.2
132.02031	1.8
133.02779	2.8
133.06473	3.4
133.10107	11.1
134.99658	2.5
135.08041	6.4
135.11696	7.1
137.05951	6.8
137.09604	28.3
137.13217	5.3
137.97133	1.7
139.03889	3.2
139.11150	6.2
141.05469	1.7
141.07069	2.1
143.08559	1.8
145.10095	3.0
146.97604	1.4
147.04407	12.9
147.08020	3.8
147.11674	12.6
149.09622	20.1
151.03860	4.2
151.07526	19.6
151.11156	3.7
151.14809	2.4
153.05560	1.6
153.06944	1.6
153.08983	1.8
155.08530	3.3
155.10677	3.7
161.13237	14.3
163.03877	2.8
163.11195	5.0
165.05464	2.8
165.09102	100.0
165.12737	36.8
166.09532	1.5
167.07062	5.3
167.10666	34.9
169.08566	5.4
169.10164	4.5
170.09393	1.9
171.11656	3.6
174.10403	3.6
175.03893	18.8
177.00609	2.1
179.03336	3.5
179.08514	1.7
179.10585	1.9
179.14333	8.8
180.04089	2.8
181.10083	2.1
181.12260	3.5
182.05708	3.6
183.11652	4.0
189.12761	18.1
192.04176	4.6
193.04909	4.2
193.12318	1.5
207.06493	21.1
207.11838	1.8
207.13770	34.3
207.17401	1.7
225.07455	14.3
225.12700	3.7
225.14685	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03925	1.5
65.03937	3.6
69.35383	1.4
69.90639	2.5
69.91036	6.7
77.03901	1.5
81.07060	3.1
85.02900	10.8
88.45499	1.5
89.03900	2.2
91.05472	58.8
93.07052	2.0
95.04977	4.9
98.20816	2.1
103.05468	2.4
105.93693	1.3
107.08590	3.5
109.10171	2.5
110.85072	1.4
111.04547	1.8
118.04154	7.4
119.04932	65.9
121.02829	1.5
121.06471	1.6
121.10120	3.2
122.03657	2.1
123.04427	3.9
123.08074	1.9
123.11730	7.8
129.03427	1.8
132.02066	3.5
133.02855	2.2
135.04482	3.7
136.05238	2.6
137.30113	1.3
146.03630	2.2
147.04399	50.0
149.02313	10.7
155.07013	2.2
157.03975	4.4
164.04689	5.6
166.33530	1.3
174.03047	1.9
175.03896	83.4
176.04335	1.8
177.01740	1.5
179.07056	6.1
183.06541	3.5
189.12788	1.6
192.04147	24.7
207.06512	100.0
207.13783	1.8
225.07547	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03937	2.6
55.01871	1.6
55.05500	4.5
56.05053	1.2
56.96555	4.9
57.03423	3.2
57.07073	8.8
60.37530	1.3
60.81494	1.2
65.03935	5.4
67.05498	6.5
68.99785	1.6
69.03419	4.0
69.07063	11.1
69.99037	7.4
71.04977	3.7
72.08162	1.8
73.02901	1.8
77.03933	1.8
79.05494	4.9
79.90782	1.2
81.07054	6.3
83.04986	8.7
83.08595	1.4
84.08126	2.2
84.35193	1.6
85.02899	4.7
89.03896	1.6
91.05476	64.0
92.05798	1.6
93.07056	3.7
95.04965	11.4
95.08592	6.6
96.55116	1.2
97.02879	1.8
97.06516	4.6
98.97559	2.9
99.04442	3.6
103.05472	3.8
105.03398	5.4
105.07043	4.3
107.04955	4.6
107.08595	7.0
109.06509	6.1
109.10153	3.7
111.04424	2.4
116.98610	3.8
118.04163	6.3
119.04935	63.8
119.08569	3.6
121.02908	2.7
121.06541	2.3
121.10140	5.4
123.04434	8.1
123.08054	5.1
123.11679	1.8
125.05959	3.2
125.09626	2.4
128.98535	1.8
132.02065	6.0
133.02843	2.4
133.10132	2.9
134.99594	2.2
135.04381	2.5
136.05190	2.0
137.05977	3.6
137.09645	3.9
140.04678	2.2
141.01053	1.6
145.02841	3.6
146.03644	2.2
147.04407	50.9
147.08017	2.5
147.11713	2.5
149.02318	8.2
149.09622	3.8
151.03935	2.1
151.07581	4.2
155.07048	2.7
157.03969	4.9
163.03995	3.0
163.11171	7.1
164.04636	7.1
165.05542	2.3
167.07094	2.1
167.10686	1.9
175.03903	79.1
177.00572	2.1
177.01839	3.5
179.06987	6.3
180.04257	3.8
183.06537	7.5
189.12790	2.2
192.04166	24.5
193.04956	3.9
194.04514	4.8
201.00693	2.3
206.01825	1.4
207.06517	100.0
207.13786	6.5
208.06749	1.8
219.01790	1.6
225.07240	4.2
225.09406	1.9
225.14920	4.7
225.19681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0867
Annotation	5-Hydroxykynurenine
Peak:m/z	Relative Intensity
50.17541	2.0
55.01857	3.5
55.05497	4.7
56.96553	9.4
57.03415	3.0
57.07056	5.7
60.98972	2.1
64.78677	2.3
64.84822	1.8
65.03939	4.5
67.05486	6.5
69.03419	3.6
69.07044	9.3
70.06577	2.6
70.99294	4.3
70.99663	4.0
71.01306	2.3
71.04990	4.0
75.35870	1.9
79.05488	10.6
79.58437	1.9
80.05007	3.8
81.03396	4.9
81.07061	11.8
82.06564	3.2
83.01230	2.1
83.04989	2.9
83.08601	2.3
84.04487	3.6
84.08144	3.5
85.02876	3.8
87.05881	1.9
91.05467	14.8
94.06542	8.6
95.04953	7.8
95.08588	5.9
97.02865	2.7
98.06036	9.3
98.21107	3.7
98.97584	4.1
98.98389	2.0
99.04431	5.9
105.03402	6.7
105.05762	2.8
105.07011	2.9
106.06560	19.6
107.04927	9.0
107.08574	3.7
108.04444	2.2
108.08099	2.6
109.02822	4.1
109.06506	6.7
109.10130	4.0
109.35842	2.2
110.06036	6.0
116.98622	3.9
118.06519	3.5
119.01903	2.9
119.04939	9.7
119.08553	4.9
120.04440	4.3
120.99585	2.0
121.06461	2.4
121.10126	3.0
122.06032	8.8
123.04408	6.9
123.08022	3.3
123.46593	2.3
124.03912	3.6
124.07578	4.6
125.04671	2.2
126.05482	2.2
132.04402	3.8
133.05229	2.5
133.10127	3.0
134.06009	32.3
134.08337	5.3
134.99611	4.1
135.04382	8.6
136.03926	2.6
136.07535	4.3
137.05948	3.6
138.05505	3.2
140.04683	3.4
146.06013	5.2
146.99516	2.4
147.04381	8.9
147.06805	3.6
147.11583	2.1
148.03902	6.2
149.02330	2.5
149.04614	2.6
149.09615	2.6
150.05515	15.9
150.07889	2.3
151.07463	2.9
151.08627	3.5
152.07027	5.2
153.01744	6.7
155.06995	2.6
160.03917	13.7
161.04628	3.9
161.07060	5.2
161.13274	2.8
162.05490	83.0
163.04057	3.9
163.06276	96.9
164.07005	3.1
165.05417	4.3
165.08945	2.0
166.04961	7.1
167.10693	3.1
168.92065	2.3
172.03963	2.3
173.01141	2.1
175.03973	10.6
175.06273	52.7
178.04985	35.2
179.05646	4.0
179.08229	10.5
179.14304	2.2
180.02901	3.6
180.06567	16.3
182.99631	2.0
183.06531	5.0
189.06566	6.7
190.04953	20.0
191.03404	2.8
191.05727	3.1
191.08099	2.3
191.99532	2.5
192.08920	100.0
196.06006	7.4
197.09468	2.2
201.00557	3.4
202.01588	6.4
207.02786	3.6
207.06464	8.3
207.07925	4.7
208.06029	55.1
208.07927	3.7
208.09666	2.3
219.01669	3.2
225.03908	6.5
225.08745	36.9
225.14873	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	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.31544	0.4
53.03930	0.9
54.56991	0.5
55.29397	0.5
63.77358	0.5
65.03941	3.5
69.64410	4.1
76.03145	0.6
77.03928	1.0
79.05488	0.7
89.03928	2.1
91.05473	44.3
93.07027	0.6
95.04975	3.7
98.20945	1.9
103.05434	2.0
105.03371	0.7
107.04929	0.9
117.03345	0.6
118.04150	6.2
119.04932	56.3
121.02834	2.0
121.06518	0.8
122.03732	0.6
123.04420	4.1
129.03386	1.2
129.04352	0.6
131.38910	0.5
132.02040	4.4
133.02840	1.1
134.03615	0.5
135.04413	1.6
136.05179	1.3
140.04684	0.6
145.02844	0.9
146.03535	0.9
147.04395	46.9
148.04710	1.1
149.02336	6.7
151.03984	0.6
153.05409	0.9
155.07013	1.5
157.03963	3.8
162.03091	0.9
163.03831	1.9
164.04649	5.2
174.03131	1.8
175.03891	82.9
176.04233	1.1
177.01862	3.3
179.06976	4.4
181.08546	0.6
183.06531	3.0
192.04153	25.9
193.04944	1.0
207.06503	100.0
208.06827	1.1
210.04826	0.7
225.07274	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	224.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27623	16.1
55.01863	46.0
55.21012	16.8
56.96560	21.6
57.03423	40.3
61.02905	16.5
69.03411	22.1
70.78864	38.0
71.01347	19.6
71.04974	20.6
73.02913	33.6
83.04933	26.1
84.04501	29.8
85.02874	35.7
87.04455	29.6
89.02365	17.4
94.53317	16.3
101.02374	56.3
103.03890	14.9
105.07002	16.9
109.10217	17.4
110.07142	20.3
115.03909	72.4
125.07306	15.5
127.03970	17.9
129.01816	100.0
130.01990	28.7
136.29082	14.6
143.03444	32.1
147.02841	18.6
157.01315	59.5
161.04425	80.4
178.08687	19.9
185.53447	16.6
189.03912	92.5
201.00699	25.8
223.08629	19.4
224.07228	27.0
224.09158	32.2
224.12946	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	225.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.05039	0.6
57.07084	0.8
67.05496	0.4
68.05025	0.5
69.07064	1.5
69.87128	1.9
69.87524	0.9
81.07060	0.6
82.99856	0.8
83.04978	0.5
83.06098	0.7
91.05499	0.9
91.73513	0.4
91.80055	0.4
95.08626	0.8
97.00433	0.4
97.06529	0.5
99.04478	0.5
100.02505	0.5
101.00868	4.0
105.03425	0.6
107.08612	0.8
109.06496	0.8
109.10157	0.6
110.61304	0.4
118.03538	1.3
119.01917	55.1
120.02035	2.6
122.97807	0.6
123.11725	0.5
124.08614	0.5
134.02968	0.6
134.99893	3.7
136.04568	1.4
137.02951	35.6
138.03084	2.0
140.98801	1.0
142.03505	5.1
142.98384	0.6
147.04424	0.6
153.00935	4.2
156.05084	0.5
158.02907	0.5
158.06622	0.5
158.99864	3.1
159.06151	0.8
160.03210	0.6
160.04541	4.3
161.02942	1.9
161.04564	0.4
167.02893	0.5
170.04407	0.5
170.76901	0.5
174.04379	0.7
176.02602	1.1
177.00946	100.0
178.01050	12.3
178.03799	0.9
179.00642	3.2
179.03972	2.7
182.99959	1.4
183.06163	1.5
184.04547	1.2
184.06195	0.6
193.04057	1.8
195.01985	3.4
198.04375	0.5
199.50066	0.6
200.02483	3.1
201.00793	2.9
201.02547	2.2
201.07190	0.5
202.00893	0.9
202.02528	0.9
202.05608	2.1
202.07309	0.7
207.06416	1.1
217.04100	9.4
218.03786	1.5
219.01993	87.2
220.02097	18.7
221.01781	3.6
225.00749	3.0
225.09555	1.0
225.15022	0.5
226.03662	0.4
237.95351	0.6
240.05807	0.7
242.03552	3.7
243.01889	9.6
243.10718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.50335	0.8
53.00319	0.9
54.91080	0.9
58.05733	0.8
62.21598	1.0
65.03928	2.8
70.93271	1.6
77.03929	1.3
79.05495	1.5
89.03910	1.6
91.05473	57.7
92.05813	0.9
93.03385	1.0
93.07057	0.9
95.04950	4.7
103.05434	2.5
105.03400	1.5
107.04985	1.1
112.61652	0.8
118.04173	5.7
119.04933	57.5
120.05254	1.2
121.02867	1.1
122.03690	1.0
123.04437	2.9
129.40398	0.8
132.02072	4.9
133.02858	2.1
135.04440	2.3
136.05173	1.6
145.02846	1.5
146.03584	2.4
147.04395	49.7
148.04736	1.0
149.02324	8.7
150.03143	1.2
155.07051	1.4
157.03981	4.4
163.03925	1.0
164.04659	7.0
172.96951	1.0
174.03059	1.6
175.03897	82.8
176.04227	1.9
177.01814	3.7
179.07025	6.0
183.06543	3.2
192.04164	27.6
207.06509	100.0
208.06860	2.1
210.04735	1.0
225.07240	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	223.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52728	0.2
52.25451	0.2
53.03927	0.6
54.01413	0.2
54.28404	0.2
55.01872	1.1
55.05256	0.3
55.05503	4.1
56.04813	0.2
57.03433	0.2
57.07035	0.2
59.04976	0.3
64.76569	0.2
65.03931	0.8
67.05499	5.8
67.05861	0.3
69.03421	0.5
69.07063	3.4
69.93231	1.0
71.04971	1.2
73.21455	0.2
79.05048	0.4
79.05486	4.4
81.03407	3.3
81.07047	8.7
82.07353	0.2
83.04966	1.6
83.08609	1.5
85.02894	2.5
85.06529	0.7
91.05470	4.4
93.07034	4.1
95.04958	100.0
95.08597	3.7
96.05276	1.1
97.06510	0.9
98.21439	0.3
99.04437	0.2
99.08085	0.4
103.05501	0.3
105.07011	3.1
107.04961	1.2
107.08593	2.2
109.06503	3.1
115.05457	0.3
117.07008	2.4
119.08567	3.0
121.06499	2.9
121.10130	1.9
123.08061	2.7
124.06369	0.2
128.06203	0.3
129.07008	0.7
130.07787	0.3
131.08551	0.9
133.10117	0.8
135.08044	1.6
135.11684	2.4
141.06976	0.4
141.09038	0.2
143.08559	0.6
144.08090	0.2
144.09297	0.2
145.06451	0.4
145.10097	4.3
147.08028	3.2
149.02310	0.2
149.13284	0.3
154.07767	0.2
159.11661	1.6
161.09641	0.8
163.11165	12.5
164.11456	0.2
165.09062	0.3
169.10045	0.9
170.37834	0.2
177.12683	1.2
187.11160	1.9
205.12262	1.6
223.06015	0.7
223.13319	3.0
223.16876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96447	0.3
52.92068	0.3
53.03928	0.6
55.01856	1.1
55.05501	4.2
56.96561	2.2
57.03435	0.4
57.07063	0.5
63.64752	0.2
65.03931	0.9
67.05496	6.7
67.98591	0.2
69.03416	0.6
69.07056	3.9
71.04982	1.1
71.59545	0.5
79.05481	5.1
81.03407	3.4
81.07048	9.0
83.04980	1.8
83.08617	1.6
85.02888	2.7
85.06536	0.8
87.04465	0.3
91.05473	4.3
93.07038	4.3
95.04958	100.0
95.08593	5.9
96.05296	0.6
97.06532	1.1
97.15425	0.3
97.44794	0.3
105.07014	3.1
107.04961	0.9
107.08598	2.3
109.06498	3.5
109.10138	0.5
110.03570	0.3
111.04434	0.4
117.06988	2.9
119.08575	3.7
121.06494	2.7
121.10149	2.0
121.10882	0.3
123.08025	2.9
128.06160	0.3
129.06998	0.7
131.08559	1.2
133.10126	1.0
135.08058	1.7
135.11665	2.8
141.06998	0.4
143.08566	1.0
144.06155	0.3
145.10103	5.2
147.08028	3.1
149.02284	0.3
149.09581	0.5
153.06766	0.6
154.07784	0.5
158.05968	0.8
159.08005	0.4
159.11665	1.6
161.09644	0.8
163.11157	12.7
169.10126	0.8
177.12709	1.5
187.11145	1.7
191.10030	1.5
193.60654	0.4
200.10637	0.7
205.12213	2.0
205.19531	0.3
223.06041	0.7
223.11320	0.5
223.13251	3.1
223.16930	0.7
223.20651	0.3
225.04424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.00300	0.8
53.03935	1.6
55.01858	2.2
55.05511	5.3
56.96556	0.6
57.07069	1.6
59.04988	1.5
64.11436	0.7
65.03933	2.5
67.05497	6.5
69.03074	1.4
69.03422	17.5
69.07049	2.0
69.46213	3.6
69.46642	2.5
79.05486	6.0
81.03407	1.1
81.07054	12.1
83.04977	7.5
83.08620	0.9
85.02895	1.7
87.04459	29.4
91.05478	17.3
93.07030	17.1
94.04156	0.9
95.04973	6.0
95.08585	3.6
97.02859	0.9
97.06531	1.5
98.97543	0.7
99.04424	1.0
101.02379	2.4
103.05454	1.8
103.46168	0.6
104.84290	0.7
105.06385	0.7
105.07030	8.4
107.04936	3.3
107.08585	6.2
109.06509	50.3
109.10143	6.1
109.60591	0.6
110.07276	2.2
111.04430	2.0
111.08076	3.4
115.05464	1.2
117.07025	3.8
119.06039	1.4
119.08571	8.2
121.06493	46.2
121.10146	9.2
122.07311	8.8
123.08062	4.5
123.11677	0.7
125.05981	2.6
125.09599	1.6
129.06990	1.4
131.04895	1.6
131.08580	2.8
133.10144	1.9
135.08043	4.6
135.11694	3.4
137.09604	100.0
138.09932	1.5
139.03894	2.4
139.07544	2.9
144.09364	1.1
145.06546	1.0
145.10112	3.2
147.08047	3.1
149.05956	8.7
149.09604	6.6
153.01825	1.2
153.05412	1.3
157.10124	1.3
159.04396	1.2
159.11678	6.1
161.05911	0.8
161.09666	0.8
163.07520	3.9
163.11168	6.4
165.09073	1.3
167.05669	0.9
167.07030	1.0
170.34698	0.7
175.11226	0.7
177.05498	1.3
177.12733	6.0
181.08594	1.2
181.12242	1.8
183.24248	0.8
187.11203	2.7
195.02907	1.5
195.06578	1.0
205.05014	0.9
205.12199	4.5
223.02339	1.9
223.05997	2.6
223.09576	1.7
223.13275	16.4
223.16779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0961
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.01880	0.9
55.05510	2.0
56.96544	1.6
57.03418	0.6
57.07063	2.6
65.03928	2.5
67.05496	3.3
69.03409	1.1
69.07063	3.1
70.70417	1.2
71.04963	0.8
71.08633	0.6
79.05478	2.1
81.03373	0.7
81.07046	4.8
83.04949	1.3
83.08603	1.2
85.02873	0.7
85.06533	0.7
91.05480	2.4
93.03386	1.3
93.07059	3.4
95.04961	1.4
95.08589	3.7
97.02885	0.7
97.06492	0.8
97.10123	0.6
99.08092	0.7
103.05450	0.6
105.07006	1.9
107.04944	1.2
107.08594	3.6
109.06503	1.2
109.10156	2.7
110.03613	0.4
111.04436	1.4
111.08045	1.6
113.09641	0.3
116.98645	0.7
117.06955	0.5
119.08553	1.4
121.02855	8.0
121.03873	0.8
121.06475	1.6
121.10136	2.2
123.08045	1.1
123.11673	1.0
125.09647	0.7
131.04901	0.5
131.08580	0.6
132.05211	0.9
133.10094	1.0
134.99675	0.6
135.08026	1.5
135.11661	1.6
137.05974	1.0
137.09607	1.5
139.07512	0.8
139.11255	0.4
145.06479	0.6
145.10117	1.1
147.07959	0.5
147.11589	0.5
149.02324	100.0
149.09677	0.8
149.13252	0.8
150.02695	1.4
150.96864	0.4
151.11211	0.6
159.11670	0.7
161.05948	0.5
162.03140	0.8
163.03925	1.0
163.07492	0.4
163.11147	1.0
163.14807	0.8
164.07870	0.5
165.09082	0.9
165.12915	0.4
167.03429	3.2
167.05627	0.7
167.06966	0.4
167.10713	0.4
177.00664	1.0
177.12715	2.2
177.16348	0.4
178.13042	4.0
179.63885	0.4
180.69450	0.5
187.11201	0.6
187.14847	0.7
190.02510	0.6
190.04988	0.5
193.10002	0.4
205.12250	1.0
205.15903	1.3
205.19556	0.4
208.03647	0.9
223.02304	0.6
223.04153	0.8
223.05954	3.1
223.09636	0.7
223.11475	1.3
223.13268	2.8
223.16776	3.0
223.18742	0.5
223.20622	0.5
223.22548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0963
Annotation	2,4,5-Trimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03925	2.6
54.37547	1.2
55.01861	2.6
55.05494	5.3
56.96541	4.6
57.03415	1.6
59.04987	1.6
67.05496	8.4
69.03410	4.3
69.07040	4.7
71.04977	5.4
71.59821	2.1
73.60857	1.3
79.05487	9.2
81.03387	2.3
81.07037	10.6
81.66604	1.4
83.04980	3.3
83.08617	2.8
85.02896	1.9
91.05472	14.7
92.06302	1.6
93.07033	15.2
95.04961	4.9
95.08588	9.6
97.02876	2.2
97.06496	3.4
97.10166	1.4
103.05471	14.4
105.03371	1.9
105.07013	10.3
107.04942	6.2
107.08562	7.4
109.06482	2.2
109.10153	3.1
110.38522	1.2
111.08057	3.5
115.05440	4.3
116.98663	2.0
117.07012	6.4
119.04909	3.7
119.08578	4.9
120.05719	4.2
121.06489	14.8
121.10131	5.6
122.07301	1.1
123.04392	1.9
123.08043	3.9
123.11711	2.0
125.05984	1.8
125.09624	1.4
126.76216	1.3
131.04912	5.0
131.08551	3.0
133.02847	2.9
133.06485	1.8
133.10136	1.9
134.01846	1.2
134.99568	1.9
135.04454	2.5
135.08031	13.0
135.11674	3.0
135.64902	1.3
136.41626	1.3
137.05972	3.4
137.09605	4.3
138.03110	1.9
138.06738	1.9
139.07533	2.2
144.08018	1.6
145.06462	11.1
145.10095	4.0
147.04381	5.7
148.05164	5.7
148.06261	1.3
149.01233	1.4
149.02347	2.5
149.05992	6.9
149.06955	1.1
149.09633	2.7
149.13252	2.8
151.03918	1.5
153.05447	12.2
159.04364	3.7
159.11668	3.8
161.05945	4.0
162.01326	4.1
162.06633	2.0
163.03926	1.9
163.07561	12.1
163.11157	5.2
163.14716	1.3
165.09071	2.2
166.06244	9.4
167.05679	2.6
173.05917	2.9
175.03831	1.8
176.04648	3.8
177.00690	3.1
177.05388	2.0
177.12694	2.7
181.08577	81.7
187.11209	1.6
187.14847	2.0
190.00879	2.2
190.02562	2.0
190.06268	3.8
191.07001	14.5
193.04953	7.3
205.08617	11.8
205.12213	4.0
205.15855	2.7
208.01852	2.0
208.03670	1.7
223.04201	6.0
223.06023	7.4
223.09613	100.0
223.13263	6.7
223.16824	9.6
224.09943	1.6
225.04185	1.7
244.58881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1122
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
55.05505	0.8
56.96561	1.3
57.07039	0.4
60.04519	2.9
67.05491	1.0
69.03428	0.3
69.07059	0.7
70.02621	0.4
71.59669	0.7
77.03953	0.4
80.24821	0.4
81.07030	0.6
85.67681	0.4
91.05498	1.0
93.07025	0.9
94.04124	0.4
95.08626	0.6
98.97583	0.7
103.05457	33.0
104.05775	0.4
105.07023	0.6
106.07384	0.4
107.04984	0.3
107.08610	0.7
109.10201	0.6
110.13913	0.3
116.81588	0.4
116.82410	0.5
116.98597	0.9
117.07011	0.9
119.08575	0.5
121.06527	0.8
121.10102	0.5
122.03638	0.5
131.04913	65.9
133.06487	0.4
134.99637	1.0
135.08023	0.4
137.05975	8.8
141.55968	0.4
143.04926	0.4
145.06496	1.4
146.03630	0.4
148.07552	3.7
148.08571	0.5
149.06027	0.5
151.07504	0.6
156.16171	0.4
161.06059	0.5
161.08330	3.9
162.09050	0.5
163.07527	37.2
164.07877	0.7
172.07454	0.5
175.02707	0.4
175.07541	0.8
176.07051	9.2
177.00664	0.6
177.07654	0.6
177.09117	1.2
178.09709	0.5
180.10188	3.7
189.07808	5.8
190.08611	10.0
191.09297	0.6
204.10114	2.1
207.08873	10.3
222.11227	100.0
223.05978	0.6
223.11572	1.8
234.98862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0962
Annotation	2,4,5-Trimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03941	1.1
55.01856	1.6
55.05501	1.3
56.96552	1.9
57.07056	1.9
67.05474	2.4
69.03401	3.3
69.07056	1.3
70.75312	2.2
71.04986	4.7
79.05476	4.6
81.03368	1.1
81.07053	2.6
83.04971	2.3
85.02900	1.5
91.05479	12.7
93.07031	11.2
95.04966	4.8
95.08604	3.4
97.02902	1.6
97.06507	0.9
103.05465	9.7
105.07022	8.8
107.04936	4.6
107.08586	1.8
108.17071	0.9
109.06532	1.8
109.10121	1.9
110.03582	1.2
111.04482	1.0
111.08045	2.0
115.05412	5.5
117.07024	6.9
119.04925	4.9
119.08555	1.7
120.05703	4.0
121.06504	13.2
121.10091	2.1
123.04376	1.6
123.08039	1.7
125.05989	1.7
131.04930	3.5
132.05736	1.1
133.02843	1.7
133.06496	1.7
133.10204	1.0
135.04393	1.0
135.08038	12.6
135.11699	1.4
137.05963	2.2
138.03110	2.6
139.07501	3.1
143.04958	1.2
144.05695	2.7
145.06482	8.0
145.10071	1.7
147.04425	5.9
147.08026	1.4
148.05176	6.8
149.02353	1.4
149.05978	7.3
149.09586	2.3
151.03851	1.9
153.05458	10.2
153.09113	1.6
155.06023	3.1
159.04410	4.6
161.05954	4.7
161.09612	2.4
163.03888	1.3
163.07533	9.8
163.11194	2.7
165.09119	2.3
166.06242	9.7
166.07530	1.4
167.05638	1.3
173.05986	4.7
176.04669	2.9
177.05420	3.4
177.09015	1.7
177.12619	2.2
178.02695	1.7
179.03169	1.0
181.08572	82.2
182.08972	1.5
187.11183	2.2
190.06180	3.2
191.07016	10.9
193.04948	7.4
195.02859	1.0
205.08606	11.1
205.12195	3.0
207.02716	1.5
208.03514	1.3
223.02373	1.9
223.05992	8.6
223.09627	100.0
223.12904	8.4
223.16878	3.5
224.10022	2.7
225.04329	1.6
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
50.27450	1.8
55.01854	2.1
55.05506	20.2
56.96556	21.0
57.07059	8.6
61.96964	1.8
65.03935	2.3
66.46203	2.1
67.05502	39.0
67.57821	2.4
69.03410	2.5
69.06724	2.3
69.07064	33.9
71.04977	5.7
71.17704	5.0
79.05486	22.4
81.03394	2.1
81.07052	99.2
83.04984	5.6
83.08606	11.8
85.06524	4.1
91.05466	25.4
93.07036	53.7
95.04946	7.1
95.08598	90.3
96.08923	2.8
97.06522	11.8
97.10136	3.6
98.21419	2.1
98.97565	13.9
99.08070	3.6
103.05412	2.8
105.07024	70.7
106.07327	3.6
107.08583	74.0
109.06493	7.4
109.10146	61.1
110.10480	3.3
111.08066	10.4
111.11701	6.6
116.98599	12.0
117.06987	5.3
119.08569	60.1
121.06487	5.9
121.10130	38.2
123.08025	6.5
123.11678	21.3
125.09594	8.5
131.08559	4.5
133.06503	3.3
133.10115	38.8
134.99626	11.2
135.08034	3.0
135.11684	23.7
137.05916	2.5
137.09622	4.8
137.13222	7.1
139.11208	3.7
143.08499	2.5
145.10095	6.3
147.04402	2.9
147.08038	4.0
147.10495	3.3
147.11673	63.6
148.11990	2.8
149.13232	8.6
151.07578	3.0
151.11118	5.5
157.10086	2.4
158.99722	4.4
159.11653	2.7
161.01196	2.2
161.06001	4.7
161.09561	4.2
161.13232	31.0
163.14815	34.2
165.05452	2.4
165.09132	3.4
165.12772	4.9
175.02763	7.7
175.11226	3.7
175.14810	23.8
177.00655	9.4
177.09076	2.6
177.16333	14.8
178.01060	2.1
179.10696	3.5
185.13289	4.6
193.03815	8.0
203.06854	2.3
203.14206	6.9
203.17940	100.0
204.18202	2.0
209.69717	1.9
217.07442	4.1
219.59181	2.4
221.04518	4.6
221.07277	4.0
221.11723	5.9
221.15642	10.7
221.19032	51.0
222.11179	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.81245	2.1
55.01859	2.8
55.05503	21.1
56.96561	10.3
57.03423	2.7
57.07062	7.2
62.82686	1.9
67.05156	3.7
67.05495	35.8
69.03411	5.0
69.07060	27.1
69.37675	5.1
69.38085	15.2
70.07393	2.0
71.04974	4.7
79.05482	31.8
81.07046	92.0
83.04975	2.8
83.08603	12.6
85.06519	7.6
91.05460	28.0
93.07033	58.1
95.04974	5.3
95.08594	100.0
97.06516	8.8
97.10144	11.2
98.20782	4.7
98.97566	4.5
105.07014	62.5
107.08580	85.0
108.08913	2.6
109.06506	8.2
109.10139	62.0
111.08048	11.2
111.11698	4.5
116.98609	5.5
117.07004	4.6
119.07777	4.4
119.08572	54.0
119.09438	2.7
121.06524	2.6
121.10120	40.6
123.08050	5.9
123.11697	21.5
125.09637	4.6
129.07063	2.8
131.08507	3.2
133.06454	2.1
133.10118	44.7
134.99637	6.7
135.11665	23.7
137.09610	4.6
137.13254	5.3
137.47676	2.1
139.11191	2.5
143.08549	3.5
145.10115	5.4
147.04453	2.6
147.11664	68.3
149.13283	8.5
151.07565	2.6
151.11180	4.0
153.00615	2.4
161.09622	3.7
161.13239	26.0
163.14799	41.4
165.09149	2.5
165.12750	5.0
175.11154	5.9
175.14830	13.4
177.16344	9.3
185.13281	4.2
192.94955	7.5
203.03258	3.0
203.10643	2.4
203.17931	95.5
215.96472	3.2
221.04422	3.6
221.07086	3.4
221.11684	5.3
221.13554	2.7
221.15361	8.8
221.19002	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	4.0
55.05494	14.2
56.24547	1.7
56.96561	14.6
57.03424	3.1
57.07079	4.2
59.28979	1.6
63.72560	1.7
67.05499	22.8
69.03418	4.1
69.07055	20.7
69.99197	1.7
70.78955	5.3
71.04981	26.1
71.08620	2.3
73.06546	2.3
77.30644	1.7
79.05482	22.9
81.07045	100.0
82.48277	1.6
82.81656	1.9
83.04992	1.8
83.08613	5.7
85.06525	5.9
91.05465	17.5
93.07033	49.3
94.07372	1.9
95.04961	5.7
95.08594	53.3
97.06528	7.1
97.10155	6.0
98.21557	2.1
98.97569	5.5
99.08097	2.7
103.05480	3.9
105.07021	55.8
106.07321	2.1
107.04987	2.0
107.08578	63.2
108.33421	1.8
109.06504	5.1
109.10142	39.4
111.08088	5.8
111.11699	4.9
113.09620	2.5
115.05421	2.7
116.98608	4.7
117.07037	4.4
119.04916	1.8
119.08568	71.1
120.08913	2.2
121.06486	12.4
121.10126	18.6
122.10477	2.3
123.08038	4.3
123.11686	14.4
125.09635	2.5
127.11185	6.2
129.06940	1.9
131.04916	5.2
131.08534	2.8
133.06485	5.0
133.10133	25.6
134.99646	6.3
135.08096	3.0
135.11673	79.0
137.05978	5.8
137.09615	4.5
137.13274	3.8
145.10149	4.4
147.08086	1.9
147.11665	37.7
147.12772	2.5
149.13258	15.5
151.11168	2.0
158.99666	2.0
161.06015	5.4
161.09619	4.7
161.13232	20.3
163.07568	3.5
163.11192	2.0
163.14809	10.2
165.09099	2.2
165.12759	2.4
175.02789	3.5
175.07538	3.3
175.11192	5.3
175.14827	9.3
177.00739	3.5
177.05511	3.0
177.09099	6.5
177.12720	1.7
177.16405	7.4
179.10617	2.3
179.65656	1.9
189.05373	1.8
193.03854	5.1
193.15883	1.7
195.36456	1.7
197.01244	3.1
203.14360	3.0
203.17943	55.0
206.16170	2.9
221.04483	3.6
221.07834	3.6
221.11726	5.8
221.15765	11.6
221.19014	79.9
222.07672	2.6
222.11226	4.5
222.19336	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	4.1
55.01855	3.8
55.05500	20.5
56.96283	1.6
56.96558	19.0
57.03427	3.3
57.07053	6.9
59.04981	2.2
65.03920	2.6
67.05498	47.7
68.05833	1.8
69.03405	5.6
69.07058	58.7
69.38476	10.9
69.38885	3.2
70.07417	1.8
71.04984	10.8
73.02891	1.6
75.64058	1.3
79.05486	25.6
81.03410	2.7
81.07047	97.9
82.07365	1.5
83.04972	5.2
83.08594	8.7
85.06533	11.4
88.32009	1.6
91.05469	21.0
93.07032	54.0
95.04942	6.9
95.08591	100.0
96.08906	3.6
97.02885	1.8
97.06521	14.1
97.10160	8.1
98.97588	11.7
99.08073	3.1
99.97942	2.1
105.07011	42.6
105.37363	1.5
107.08579	49.4
109.06514	7.7
109.10141	46.6
111.08041	7.3
111.11691	4.4
113.09628	7.6
116.98598	11.9
117.06979	2.1
119.08566	37.0
121.06478	5.3
121.10128	40.2
123.08045	6.6
123.11694	30.1
125.09608	6.3
131.08559	3.4
133.06415	1.9
133.10104	29.0
134.99609	12.9
135.08090	2.4
135.11676	16.7
137.09564	4.6
137.13251	2.5
139.11143	6.8
145.10075	3.9
146.99593	4.2
147.04390	1.7
147.08043	3.3
147.11674	45.3
148.08286	2.0
148.58382	2.4
149.13242	4.7
151.11143	6.2
153.00665	2.0
153.12674	3.4
158.01202	2.6
158.99574	2.2
161.05980	2.2
161.09622	3.3
161.13200	19.7
163.14752	8.3
165.12717	4.9
175.02766	2.8
175.11183	1.9
175.14799	10.6
177.00493	4.9
177.09088	2.1
177.16373	7.5
192.94940	1.8
193.03720	1.8
193.15805	2.3
203.14218	3.3
203.17941	26.8
205.14975	1.8
220.60536	2.4
221.04419	2.7
221.07391	10.4
221.11702	4.4
221.15590	10.3
221.19012	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.28918	1.9
55.05505	14.8
56.96548	8.0
57.03418	2.6
57.07063	7.7
59.04992	2.8
67.05501	25.1
69.06726	3.0
69.07069	31.3
69.34496	3.9
69.34837	20.5
71.04977	7.4
71.08643	2.6
78.37739	2.0
79.05487	15.4
81.06572	3.7
81.07054	69.0
83.04943	2.9
83.08607	14.2
85.06519	3.6
85.10168	2.4
91.05467	20.1
93.07041	35.8
95.04929	2.7
95.08603	66.8
95.79099	1.8
97.06522	3.3
97.10158	7.0
97.90066	2.1
98.97565	15.1
99.08091	3.8
99.97930	2.4
105.07030	51.6
107.08586	57.2
108.08883	2.3
109.06537	2.7
109.10157	43.5
111.08062	6.9
111.11753	2.1
113.93752	2.1
114.17857	2.0
116.98613	13.0
119.08567	45.2
121.10139	32.0
123.08031	3.7
123.11716	19.6
125.09622	11.5
131.08545	2.7
131.73477	2.4
133.10133	31.9
134.99644	6.6
135.11678	13.9
137.09634	2.8
137.13228	4.2
139.11127	2.8
145.10182	1.9
147.11682	52.7
149.13228	6.8
151.11162	7.6
158.99640	3.7
161.13251	26.1
163.14807	21.2
165.12740	6.0
175.14810	14.3
177.00700	5.3
177.16389	5.4
178.00967	2.2
185.71777	2.0
203.17943	100.0
204.18175	2.7
210.88866	1.8
221.07620	1.8
221.15421	5.6
221.19005	59.0
242.96135	1.8
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	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
51.02367	2.6
53.03927	5.5
55.01867	12.2
55.05509	36.6
56.96555	13.6
57.03409	4.3
57.07073	11.3
59.04993	4.4
65.03911	4.5
67.05499	35.7
69.03422	73.5
69.07066	22.2
69.49407	2.0
71.04973	6.4
71.59715	3.6
73.02869	2.5
74.84132	2.1
79.05482	50.0
81.03446	2.4
81.06577	5.0
81.07051	100.0
83.04976	44.6
83.08611	15.8
85.02892	10.7
85.06519	4.8
86.82072	2.1
87.12366	1.9
87.50828	1.8
89.41017	1.7
91.05467	31.3
93.07035	32.5
95.04965	23.9
95.08598	45.6
97.02902	4.1
97.06514	5.7
97.10134	3.2
98.97592	5.8
99.04425	3.8
103.05450	8.4
105.07026	50.6
107.04958	12.0
107.08592	35.7
109.06509	46.1
109.10148	49.8
110.07286	6.6
111.04449	2.5
111.08075	27.0
114.03070	2.0
115.05436	10.2
116.98592	7.0
117.06997	10.9
119.04908	8.3
119.08568	61.1
121.06486	15.3
121.09310	3.8
121.10133	42.8
122.07266	6.3
123.04397	2.3
123.07168	3.0
123.08058	40.6
123.11673	7.6
125.09599	5.8
128.02277	5.2
128.06194	2.9
128.98590	2.4
129.06992	10.5
131.04909	9.1
131.08557	8.7
133.06502	18.4
133.09160	1.4
133.10120	39.7
134.99663	3.3
135.08012	10.9
135.11690	16.0
137.02832	2.8
137.05960	53.4
137.08650	4.0
137.09607	44.2
137.13269	3.4
138.10338	6.9
139.11166	6.2
142.07672	2.7
143.04947	3.0
143.08545	6.5
144.52100	3.3
145.06415	4.1
145.10120	13.5
146.99638	4.4
147.04379	11.8
147.08003	19.0
147.11682	22.9
149.09598	9.7
149.13246	4.0
151.03825	2.8
151.07536	17.8
151.11169	8.3
151.28075	2.4
157.06503	2.4
157.10091	6.7
159.04401	3.4
159.08005	3.0
159.11662	7.7
160.05170	2.8
161.05974	15.0
161.09583	15.6
161.13235	20.8
162.06694	2.6
163.07484	5.3
163.11160	24.5
165.05481	6.8
165.06911	3.4
165.09088	12.4
170.10822	3.3
171.34151	2.0
173.06024	2.5
175.03929	3.8
175.07541	13.6
175.11143	8.9
175.14778	19.1
176.07332	2.7
177.00688	4.0
177.09142	35.2
177.12717	5.0
177.73006	2.0
178.06198	2.5
179.10628	3.3
179.14284	4.4
185.13235	6.1
189.05547	5.0
191.09700	4.7
192.15067	4.3
192.94780	2.7
193.05028	3.5
193.08495	7.5
193.10039	2.5
193.15895	20.6
203.03543	5.2
203.06949	3.0
203.10721	5.6
203.14304	12.4
203.17891	2.8
221.04306	10.9
221.07819	4.6
221.09630	5.2
221.12012	13.5
221.15331	95.1
222.11238	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03937	2.9
55.01884	2.0
55.05503	20.0
56.96570	12.6
57.07052	8.4
67.05495	29.9
68.93427	2.2
69.03425	23.3
69.07063	21.7
71.04964	5.0
71.59818	2.0
79.05486	22.8
81.07053	46.7
82.42272	2.2
83.04973	28.8
83.08624	10.1
85.06523	4.9
91.04955	3.2
91.05470	32.0
93.07035	34.6
95.04944	12.9
95.08042	3.0
95.08596	37.9
97.06510	7.0
98.97579	5.6
102.66354	1.9
103.05446	3.4
105.07024	60.7
107.04935	2.8
107.08582	36.6
109.06498	19.9
109.10137	30.2
110.61520	1.8
111.08051	9.0
115.05439	3.0
116.98608	6.4
117.07011	7.2
119.04904	2.3
119.08567	94.0
121.06495	14.0
121.10132	35.4
123.04385	2.3
123.08044	17.1
123.11682	8.5
125.09605	4.9
127.07567	3.3
131.08569	7.0
133.06459	7.6
133.10118	90.5
134.99635	7.6
135.08069	10.2
135.11635	12.9
137.05972	4.3
137.09601	20.0
137.13255	2.5
142.07817	4.0
143.08528	8.4
145.06482	2.0
145.10100	11.7
147.08028	24.8
147.11688	21.5
149.09627	10.2
149.13260	4.3
150.06668	2.3
151.07520	5.8
151.11174	52.6
156.09268	2.3
157.10106	8.1
159.11679	7.9
161.09584	23.6
161.13242	57.8
163.11162	6.7
163.14777	2.5
165.09102	79.9
165.12727	2.2
170.10892	8.3
173.09604	4.2
173.13289	7.0
175.02684	4.4
175.11183	23.1
175.14795	30.5
177.09123	2.4
177.12674	5.5
185.13245	10.1
188.11929	2.9
190.13533	7.0
191.14287	17.9
192.94913	4.0
193.03720	2.6
203.14301	18.5
203.17949	10.5
206.11024	2.2
221.04353	3.6
221.11751	8.4
221.15349	100.0
221.18703	12.4
222.15878	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	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45781	0.1
66.95390	0.1
68.73912	0.1
71.33075	0.1
71.33418	0.2
79.05483	0.1
81.07050	0.1
91.05470	0.9
93.07029	0.2
95.08599	0.2
95.09241	0.1
98.20768	0.1
103.05450	0.2
105.07013	0.4
106.07788	0.1
115.05421	1.3
116.06240	0.7
117.07011	5.1
119.04945	0.3
119.08534	0.2
121.06470	0.4
123.08060	0.1
128.06207	1.0
129.06987	0.2
131.08574	0.1
133.06487	0.6
134.07251	1.0
135.08029	0.9
143.08513	0.9
144.05708	0.7
145.06512	0.9
147.04333	0.3
147.08012	0.4
149.09605	0.4
160.05164	0.2
160.90088	0.1
161.05931	0.5
162.06743	5.9
171.08051	0.5
175.07539	2.3
177.09088	100.0
178.09448	1.4
203.10632	0.4
221.06017	0.2
221.11687	0.4
221.17279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.05496	0.7
56.66956	0.2
56.96559	1.7
57.07058	0.2
58.54940	0.2
67.05502	1.1
67.64506	0.2
67.95514	0.2
69.03409	0.5
69.07046	0.6
69.63106	0.6
69.63540	0.8
71.04973	0.3
75.93649	0.2
79.05484	1.0
81.07045	2.0
81.43308	0.2
83.04951	0.5
83.08570	0.2
84.10698	0.2
85.02905	0.2
85.06512	0.4
91.05464	2.6
93.07027	1.8
95.04944	0.4
95.08594	1.4
97.06514	0.2
98.97562	0.7
103.05441	0.5
105.07009	2.2
107.04929	0.3
107.08588	1.1
109.06492	0.7
109.10170	1.0
110.53212	0.2
111.08031	0.2
115.05407	1.4
116.06210	0.5
116.98601	0.6
117.07010	4.8
119.04932	0.6
119.08558	1.9
121.06477	1.0
121.10133	0.9
123.08035	0.3
123.11674	0.6
125.09512	0.2
128.06192	0.9
129.06984	0.3
131.04916	0.4
131.08575	0.5
133.06473	1.0
133.10127	1.1
134.07271	1.2
134.99619	0.6
135.08029	0.9
135.11635	0.3
137.05937	0.6
137.09607	0.6
143.08575	1.1
144.05663	0.7
145.06482	1.1
145.10147	0.5
147.04395	0.7
147.08047	0.8
147.11682	0.8
149.09576	0.3
151.11142	0.3
159.08044	0.3
159.11667	0.2
160.05161	0.5
161.05978	0.7
161.09570	0.5
161.13254	1.1
162.06754	5.8
163.11182	0.3
165.06937	0.3
165.09096	0.7
171.07988	0.5
175.02740	0.6
175.07521	2.9
175.11191	0.4
175.14793	0.7
177.09087	100.0
178.08009	0.3
178.09419	1.4
179.10631	0.5
185.13217	0.3
193.03799	0.7
195.15881	0.2
203.10631	0.6
203.14302	0.6
203.17885	0.2
221.04376	0.9
221.07848	0.3
221.09781	0.3
221.11708	0.7
221.15245	1.6
221.18961	0.5
222.11203	0.3
240.72157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
52.13933	0.8
53.03933	4.9
55.01861	2.0
55.05508	8.8
56.96561	7.6
57.07062	1.7
57.47251	0.7
64.16046	0.8
65.03933	2.1
67.05171	1.1
67.05499	15.5
69.07063	11.1
69.61742	2.4
69.62150	3.8
71.04973	4.0
79.05486	65.8
81.03386	1.6
81.07048	40.3
83.04977	1.9
83.08197	0.8
83.08609	5.6
85.02876	1.5
85.06528	4.2
87.04422	1.1
91.04890	1.3
91.05468	38.8
93.07034	100.0
94.07349	1.8
95.04958	13.2
95.08595	20.2
97.06510	2.1
98.97580	2.1
101.06054	1.0
105.04509	2.4
105.07017	35.4
107.08582	69.2
109.06499	5.7
109.10136	3.0
111.08071	1.2
116.98622	2.7
117.06993	4.3
119.08573	36.1
121.06470	4.5
121.10123	16.0
123.08035	3.6
125.09586	1.1
127.07565	2.4
128.06259	1.8
129.07014	3.5
131.08572	6.5
133.10117	13.1
134.99675	1.6
135.08028	2.9
135.11674	1.3
137.09558	1.3
139.07526	1.0
143.08527	7.2
145.10103	1.6
147.08031	3.1
147.11699	5.1
149.09605	1.0
157.10120	5.3
159.11684	8.0
161.09569	4.8
161.13234	32.3
165.09105	2.7
172.15324	0.9
175.02747	3.2
175.11238	5.6
175.14824	6.0
179.10638	1.2
185.13239	17.2
192.95016	1.6
193.03813	3.8
199.06561	1.4
203.07011	1.1
203.14299	10.6
203.18030	1.0
217.07492	2.8
221.04329	1.6
221.07721	1.1
221.11862	1.6
221.15353	27.0
221.17767	1.2
221.18318	1.6
222.18559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0441
Annotation	Buntansin
Peak:m/z	Relative Intensity
51.02386	0.9
53.03930	1.6
55.01628	0.7
55.01868	9.9
55.05489	2.0
55.53370	0.5
56.96545	1.0
57.07052	0.4
65.03928	3.6
67.05497	3.3
68.99764	0.8
69.03421	3.3
69.07049	1.2
70.48236	1.1
70.48598	0.8
71.04987	0.5
77.03909	2.4
79.01852	0.8
79.05480	3.5
81.03443	0.5
81.07039	4.1
83.04958	1.6
83.08630	0.5
85.06486	0.5
91.05470	36.5
92.27841	0.4
93.07020	2.0
95.04959	4.7
95.08597	2.1
97.02888	0.9
97.06531	0.5
98.21392	0.5
98.97557	1.0
101.03930	0.6
103.05453	21.6
105.03378	3.1
105.07020	3.0
106.07359	0.8
107.04948	1.4
107.08600	2.1
109.06506	3.3
109.10162	3.4
111.08081	1.0
115.05441	0.5
116.98614	0.7
117.06976	0.6
119.04932	34.0
119.08572	3.6
120.05312	0.5
121.02856	0.4
121.06481	1.2
121.10123	1.7
123.04417	0.6
123.08030	1.4
128.02345	0.4
129.03342	2.2
129.07002	0.7
131.04916	12.6
131.10809	0.4
133.02803	0.7
133.10106	2.0
134.99687	0.6
135.08038	0.8
137.05984	4.3
137.09593	2.1
139.03859	1.0
145.10089	0.5
146.03613	0.7
147.04395	47.8
147.08063	1.2
147.11650	0.9
148.04778	0.5
149.05930	0.8
149.09668	0.6
151.03854	2.1
151.07541	0.9
153.00693	0.7
153.01816	7.6
157.02859	1.6
157.06451	0.5
157.10152	0.5
159.04393	12.9
161.02345	1.0
161.06035	0.6
161.09615	1.5
161.13237	0.7
163.07503	0.7
163.11142	0.6
165.04141	0.9
165.05463	11.6
165.09073	1.0
175.03891	55.8
175.07246	1.1
175.11220	0.8
175.14839	0.9
176.04335	1.5
177.05458	3.1
177.09084	5.7
177.14691	1.3
179.03383	2.3
185.02336	0.6
192.04190	0.8
193.04948	28.9
193.15814	0.8
194.05243	0.7
203.03377	37.2
203.10672	0.6
203.14307	0.9
207.87320	0.5
221.04425	100.0
221.11682	2.0
221.15268	4.0
221.17476	0.7
222.04745	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	221.044
Annotation	Buntansin
Peak:m/z	Relative Intensity
51.02372	0.7
52.04087	0.5
53.00299	0.5
53.03936	1.6
55.01860	10.8
56.96571	0.5
57.08900	0.4
58.27071	0.4
65.03925	4.3
66.45897	0.4
67.05485	1.7
68.99766	0.8
69.03423	1.0
71.01352	0.6
71.58389	1.1
71.96314	0.4
73.46973	0.5
77.03907	2.2
79.01852	1.1
79.05472	3.4
81.07050	2.3
91.05466	40.1
92.05811	0.5
93.07034	1.7
94.51675	0.5
95.04964	5.3
95.08597	1.1
97.02871	0.6
103.05456	25.6
105.03379	3.7
105.04495	0.7
105.06995	2.6
107.04948	1.5
107.08575	1.8
109.06487	1.9
109.10147	1.1
112.75255	0.4
113.55054	0.4
115.05429	1.1
117.06976	0.7
119.04924	32.0
119.08572	2.4
120.53142	0.4
121.02828	1.1
121.06487	0.9
121.10154	0.8
123.04429	1.7
123.08024	0.8
129.03354	3.2
131.04910	14.3
131.08522	0.6
133.02838	1.4
133.06456	1.5
133.10127	1.6
135.08031	1.8
137.02351	0.8
137.05952	5.3
137.09570	1.1
139.03876	1.0
147.04388	48.3
149.02283	0.5
151.03883	1.8
151.07489	0.6
151.11128	0.4
153.00639	0.4
153.01802	8.4
153.21127	0.5
157.01659	0.5
157.02840	2.0
159.04390	16.2
160.05075	0.7
161.02376	0.7
161.05992	1.2
161.09608	1.0
163.03944	0.6
163.07559	0.7
165.05461	13.7
165.06859	0.6
171.04349	0.5
175.03880	61.2
175.07448	1.6
175.11148	1.4
175.14833	0.8
176.04387	1.4
177.05449	3.4
177.09058	1.0
179.03419	2.4
179.10728	0.7
185.02332	0.6
191.07056	0.7
192.04166	1.1
193.04935	30.8
203.03357	37.1
221.04411	100.0
221.11713	1.9
221.15230	1.0
221.18362	0.7
222.04758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01870	1.2
55.05499	1.5
57.07074	7.4
59.04984	6.8
61.02909	1.1
63.33234	0.8
67.05490	6.0
69.07060	6.0
70.02944	10.1
70.43692	0.7
70.44020	2.8
71.01304	0.8
72.04507	16.5
73.02901	3.7
74.02437	1.9
74.56403	0.8
76.04747	0.9
81.07031	0.9
83.04997	1.1
85.06542	12.7
86.09695	1.0
87.08076	2.6
90.05545	100.0
95.04964	8.7
96.08127	3.3
98.02401	14.0
100.03976	1.7
103.07567	9.5
113.05994	5.1
113.70754	0.8
116.03435	15.3
124.07574	21.1
131.07021	1.1
131.22084	0.8
142.08621	9.7
156.10255	1.4
160.09666	2.7
166.08644	2.9
174.11267	1.9
184.09673	19.1
202.10722	25.8
220.11778	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01867	1.5
55.05510	1.1
57.03432	0.8
57.07067	6.9
59.04999	4.6
60.04497	0.9
61.02904	1.7
65.03920	0.7
66.50428	0.8
67.05496	7.2
69.07056	5.2
70.02946	7.6
70.10469	3.6
72.04514	14.1
73.02899	5.5
73.06505	0.6
74.02429	2.3
74.63306	0.7
81.15646	0.8
83.04972	1.1
85.02932	1.2
85.06535	12.6
86.09706	1.9
87.08102	1.7
88.67663	0.7
90.05547	100.0
91.05934	0.7
95.04959	7.9
96.08133	2.9
97.02897	0.8
98.02412	13.7
100.04000	2.0
103.07582	8.4
113.05991	2.4
116.03444	14.8
119.08660	0.7
124.07582	19.6
131.07027	1.1
133.03447	1.1
139.02432	0.7
142.08635	8.6
156.10223	1.7
160.09697	2.2
166.08615	2.7
174.11292	2.8
184.09674	19.8
202.10719	28.6
204.14668	2.2
220.11777	27.6
220.17781	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03417	1.3
67.05495	1.2
69.50778	4.1
69.51206	2.0
74.48803	0.7
76.54646	0.8
81.07015	0.8
82.61474	0.7
91.05467	11.0
98.20802	1.2
102.76439	0.7
103.05441	2.9
105.07008	2.0
115.05429	10.8
116.06216	3.0
117.07050	3.4
119.08552	1.8
128.06195	10.9
129.06990	43.8
130.07733	2.0
131.04936	7.9
131.08556	37.7
132.05670	1.1
132.08899	0.9
133.06447	0.8
133.10127	1.2
134.02145	0.8
137.05965	4.4
141.06972	37.7
142.07358	0.6
143.04926	2.4
143.08533	1.7
144.05702	5.8
145.06462	9.6
146.07260	5.9
148.05235	1.3
151.07562	1.1
156.05705	0.9
157.06465	22.0
158.07259	22.9
159.03104	0.7
159.04417	4.0
159.08031	27.9
160.05202	5.0
161.06059	1.5
161.09627	3.4
162.06610	1.0
163.07529	2.5
168.05754	1.9
169.06450	16.5
169.07635	1.6
170.07254	8.8
171.04240	1.0
171.07967	1.7
173.05988	3.7
173.09622	1.3
174.06747	77.9
175.07524	14.1
175.09737	0.8
185.05957	1.0
186.06749	19.2
187.07495	2.0
188.08321	4.1
189.09082	100.0
190.09386	2.8
191.07059	1.4
191.10625	6.4
201.09076	44.3
203.14174	3.4
217.33215	0.8
219.10135	91.1
219.17387	12.1
220.10503	3.0
235.80408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77310	0.2
57.07043	0.2
65.03936	0.2
69.97729	1.0
79.05460	0.3
86.09683	0.3
90.05557	0.5
91.05470	3.6
95.04982	0.2
98.21573	0.2
98.97575	0.4
104.04952	0.6
105.03345	1.2
105.07018	0.7
110.97574	0.3
115.05415	0.3
116.03353	0.2
117.07049	0.2
119.08489	0.2
120.05709	0.7
121.06498	0.2
121.10192	0.2
122.10508	0.3
128.98557	0.3
129.06523	0.2
130.07274	0.4
131.04971	0.2
132.04430	1.6
132.05301	0.3
132.08917	0.5
133.02866	0.4
133.06476	0.5
134.10449	0.3
134.99690	0.3
142.07318	0.6
146.05960	0.3
146.99649	0.4
150.05482	3.2
158.06912	0.2
159.07634	0.2
160.03798	0.3
160.07472	0.6
161.05899	0.3
162.13478	0.3
175.07143	0.8
178.04964	100.0
179.05328	1.3
188.07063	0.8
189.03644	0.2
190.09459	0.9
202.09361	0.5
203.14285	0.2
204.14621	0.9
205.07166	0.3
205.15913	0.5
206.04449	21.5
207.04698	0.2
220.06018	23.5
220.09772	1.5
220.17766	4.1
221.06364	0.3
226.06355	0.2
226.35042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03407	1.1
62.98294	0.8
63.57533	1.0
67.05489	1.0
71.11530	1.4
71.11870	1.5
81.76979	0.8
91.05474	10.9
103.05452	2.7
105.07031	1.6
110.87582	0.8
112.25511	0.9
115.05444	10.6
116.06206	4.0
117.07011	2.4
119.08532	1.7
128.06206	11.5
129.06999	41.4
130.07750	2.9
131.04906	9.3
131.08559	37.5
132.05658	1.1
133.06471	1.2
137.05974	4.2
140.06177	1.1
141.06984	36.3
143.04930	1.2
143.08530	2.4
144.05714	5.8
145.06482	6.9
146.07259	5.9
147.08118	1.1
153.06952	1.0
157.06473	22.8
158.07268	21.4
159.04457	4.2
159.08043	26.2
160.05200	6.7
161.05994	1.2
161.09584	2.9
163.07512	2.2
168.05719	1.8
169.06464	16.1
169.07756	1.7
170.07254	7.4
171.04469	0.9
173.05908	4.0
174.06755	79.2
175.07515	17.9
185.05984	1.3
186.06743	20.6
187.07416	1.6
188.08270	4.0
189.09094	100.0
190.09297	1.7
191.10632	7.5
201.09096	35.3
202.09358	1.3
203.14404	2.1
219.10138	95.6
219.17337	5.9
220.10434	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.09814	0.7
51.61246	0.6
57.03416	0.6
57.60823	0.6
58.15961	0.7
60.61298	0.6
64.39779	0.8
70.77238	1.0
70.77580	1.3
80.29530	0.6
91.05463	9.6
103.05449	2.6
105.07021	1.1
107.99638	0.7
108.95107	0.7
115.05428	9.1
116.06245	3.7
116.06891	0.6
117.06987	2.9
119.08558	1.8
128.06207	8.9
129.06992	39.4
130.07791	1.8
131.04901	8.0
131.08551	34.3
132.20569	0.7
133.06506	0.9
133.10097	0.8
137.05963	4.2
141.06970	32.6
142.07399	0.7
143.04895	1.8
143.08524	2.4
144.05656	6.6
145.06467	8.6
146.07225	3.9
147.04419	0.9
148.05171	1.0
151.07466	0.7
153.06889	1.2
155.06009	0.9
157.05193	1.4
157.06462	21.8
158.07259	19.6
158.08461	0.6
159.04395	2.7
159.08037	31.2
160.05183	5.5
161.05957	1.4
161.09589	2.9
163.07500	2.0
168.05672	1.8
169.06450	13.8
169.07744	1.3
170.07249	6.1
171.04333	0.8
171.07996	1.6
173.05968	3.6
173.09570	1.1
174.06743	72.2
175.07512	12.6
183.08032	0.8
185.05913	2.0
186.06744	17.6
187.07491	4.5
188.08266	3.8
189.09079	96.1
190.09454	2.7
191.06967	1.0
191.10645	7.6
201.09082	35.7
201.88550	0.7
203.14288	2.1
219.10132	100.0
219.17348	7.8
220.10483	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	219.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62803	0.7
55.05494	1.2
56.23923	0.6
58.99850	0.9
60.66320	0.7
61.02904	1.3
67.05463	0.9
69.07079	1.0
70.01994	2.5
70.02402	1.5
71.01324	2.0
72.08112	0.9
75.04452	2.3
77.00867	1.2
81.07050	1.8
82.99825	0.8
83.04966	2.2
91.05447	1.2
93.07033	0.7
100.02460	1.8
100.89671	0.7
101.00856	6.4
103.02426	1.5
103.03931	3.1
105.07007	1.4
111.04415	0.7
115.02410	2.8
118.03529	1.2
119.01906	44.2
119.08532	2.9
121.01639	2.3
121.03487	1.4
121.10120	3.2
129.03972	2.3
133.03448	28.3
133.10107	2.1
137.02942	17.5
137.03983	1.2
142.03464	1.6
143.01866	3.7
145.03392	1.0
147.05011	6.6
151.04501	7.1
153.03975	0.8
155.01886	1.0
155.03024	1.1
157.03468	1.1
159.02907	5.3
159.05029	5.5
161.02940	24.9
161.13271	1.7
162.02975	1.0
165.06067	1.2
167.32204	0.6
171.05002	29.0
173.02806	6.1
173.04115	2.0
175.04491	3.0
175.14812	0.9
177.00938	9.0
177.04282	1.1
177.06030	2.6
177.07568	0.6
179.03972	1.5
184.04573	0.9
189.06053	24.3
191.03983	2.4
191.05440	1.1
191.07576	1.7
194.06677	0.8
195.07114	1.1
196.04276	4.6
196.08215	0.8
201.06000	1.1
201.09155	0.7
203.14279	18.3
206.52620	0.8
219.01991	28.1
219.07115	100.0
219.17406	54.4
219.19589	1.7
219.20583	0.9
220.02078	1.6
220.07260	2.8
237.08244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
61.02925	23.5
63.84451	1.2
64.80475	0.9
65.98348	1.1
71.01351	42.4
71.04748	2.4
75.04477	59.1
87.04462	18.9
89.01157	1.1
89.02389	8.8
98.97559	1.1
100.11375	1.0
103.03936	69.7
117.28813	1.0
131.03378	15.6
132.52052	1.0
159.02885	100.0
161.04387	1.8
165.21286	1.2
187.02354	9.9
195.01846	1.0
203.14282	6.2
219.05019	7.5
219.17433	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	219.0649
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
53.03909	0.8
53.78423	0.5
55.01829	1.5
55.05457	2.2
56.33775	0.6
56.96547	1.1
57.07023	0.9
57.86164	0.5
67.05455	2.5
68.99734	2.6
69.00063	0.6
69.03395	1.4
69.07042	1.1
69.65006	4.5
70.55704	0.5
71.04934	0.9
75.06602	0.5
79.05486	3.6
81.07040	4.6
83.04935	1.0
83.08578	0.7
91.05461	7.9
92.92089	0.7
93.07056	3.7
95.04932	1.5
95.08597	3.6
97.02856	1.1
97.06461	0.6
98.20681	1.0
98.97586	2.9
103.03879	1.5
103.05449	3.0
105.07024	7.1
107.04889	1.1
107.08593	4.6
109.06466	1.0
109.10088	2.5
111.08007	0.6
115.04678	1.0
115.05430	13.2
116.06189	0.6
116.98557	2.5
117.06996	16.6
119.01892	1.1
119.04907	0.8
119.08568	5.8
121.10121	3.1
123.08053	1.3
123.93419	0.6
127.05367	1.8
128.06163	1.3
129.06964	2.6
131.04910	4.0
131.08575	3.7
133.06459	1.2
133.10133	3.6
134.99591	1.6
135.08054	3.4
135.11629	1.2
137.09526	0.6
139.94048	0.8
141.06931	1.2
143.08546	1.0
144.05664	2.0
145.06464	56.3
145.10100	4.8
146.06845	1.0
147.04356	1.9
147.11635	1.4
148.05118	0.8
149.13254	1.1
155.04860	5.4
155.06013	5.0
157.06454	0.8
159.02928	1.3
159.04375	2.4
159.08022	1.8
159.11630	4.9
161.02899	1.2
161.13210	3.9
162.65063	0.7
163.03873	1.9
163.07475	0.9
163.11122	1.6
173.05959	68.5
173.13220	2.4
174.06631	3.1
175.07474	2.1
175.14847	0.8
176.04668	1.4
177.05412	1.2
177.09106	1.4
177.12686	1.1
183.04388	4.3
186.06682	0.8
188.11931	0.8
189.09094	3.2
190.95345	0.8
191.03329	1.9
191.07030	5.3
191.14276	0.8
191.17824	0.6
201.05437	100.0
201.09206	2.1
201.16347	3.8
202.05806	2.2
203.14273	7.7
207.10510	1.4
218.61389	0.8
219.02942	1.9
219.06500	60.0
219.10104	4.9
219.13811	2.2
219.17404	33.4
220.06897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24610	1.0
55.01867	7.8
57.09599	1.0
59.04996	2.3
61.02604	1.1
61.02922	26.7
70.35376	4.3
71.01349	48.4
75.04475	71.5
76.12004	0.9
84.99236	3.5
87.04463	23.6
89.02387	12.3
98.97556	1.6
101.05995	2.6
103.03931	81.5
116.98597	1.0
119.08562	1.6
121.10194	1.2
131.03381	13.9
133.10118	1.3
144.47859	1.0
159.02879	100.0
161.04466	2.0
171.22928	0.9
187.02354	14.0
187.11192	1.1
195.50389	1.2
203.14287	7.3
207.47200	1.0
219.04886	8.0
219.17429	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39605	1.4
55.01858	7.4
56.96545	5.0
57.03439	2.3
59.04957	3.1
60.04505	1.3
61.02628	1.2
61.02910	9.4
67.05481	1.8
68.99776	7.4
69.03400	3.0
71.01341	100.0
71.03135	2.3
71.03462	1.7
72.08128	1.6
73.02899	7.8
74.06059	3.6
75.04469	26.0
81.07032	2.1
83.04973	2.3
85.02871	5.5
85.06564	1.6
86.09690	3.0
87.04427	3.1
90.05550	13.3
91.05440	1.5
93.07029	1.7
97.02884	5.5
98.97552	4.9
99.00785	5.3
101.02338	7.0
103.03922	32.2
111.00792	10.0
113.02357	3.0
116.98605	5.2
117.01827	13.2
119.01871	2.8
119.08574	4.2
121.01667	2.5
121.10100	3.4
125.02399	2.2
127.00253	6.2
129.01801	6.2
131.03387	69.3
133.03360	2.6
133.04948	3.5
133.10109	4.6
134.99652	2.0
136.01978	1.5
138.00751	2.0
141.01799	6.4
142.02580	1.7
143.03365	2.2
145.01318	16.2
145.04965	7.4
146.05988	2.2
153.01831	3.5
157.04941	13.6
159.02867	79.4
168.01733	2.2
173.02887	2.3
174.01767	1.9
177.02318	2.3
184.09692	2.4
187.02463	2.1
191.42149	1.5
198.74548	1.6
198.88094	1.4
202.10713	3.2
203.14291	13.6
217.01903	1.6
219.07225	1.7
219.17413	58.4
220.11806	2.1
237.02818	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	218.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32972	0.7
55.05501	1.6
56.05832	1.1
57.07068	0.9
61.02921	1.0
68.87119	0.8
69.07056	9.5
70.02940	1.9
71.01357	1.0
71.57288	1.4
72.11844	0.7
74.02444	5.6
83.04967	2.9
84.05306	2.0
84.08129	3.1
84.89732	0.8
86.09697	86.9
86.41727	0.9
87.00818	9.9
87.10040	1.6
89.02380	1.0
89.87959	0.8
91.05441	0.8
94.83810	0.9
96.89930	0.7
98.02403	2.2
98.97573	1.0
102.06324	1.4
104.03452	25.8
105.34100	0.8
111.04425	2.1
112.03974	22.5
112.04762	3.4
112.07587	5.8
113.06005	0.9
116.03440	35.5
116.04266	1.8
130.08626	3.9
132.10168	1.8
135.82057	0.9
138.18832	0.8
154.08646	7.1
155.07013	1.3
156.07358	7.0
159.02896	1.1
161.93094	0.8
172.09669	100.0
173.10049	2.5
174.08438	3.4
189.09119	0.9
200.09224	1.4
218.08063	1.6
218.11047	4.4
219.10205	1.0
219.17438	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	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23724	26.5
69.68188	19.1
70.10719	100.0
86.90865	24.0
87.70197	20.5
88.21117	19.4
94.06544	57.7
95.61525	20.8
98.21150	54.8
125.90060	20.2
163.36624	24.8
196.18004	24.0
200.01392	21.8
203.14250	26.9
219.17407	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	iso-Debromo-laurinterol
Peak:m/z	Relative Intensity
51.02379	1.2
52.23440	0.9
53.03922	3.4
55.01856	3.6
55.05503	43.6
57.03423	2.1
57.07051	2.5
59.04982	4.6
65.03931	1.6
67.05492	11.4
69.03419	5.8
69.07056	5.7
69.22953	1.0
69.69733	6.5
73.02890	4.6
79.05483	69.2
81.07050	14.2
83.04974	63.4
83.08601	4.5
85.06516	4.2
87.04453	6.9
88.07613	1.2
89.02358	4.9
89.06007	8.7
91.05473	14.0
93.07040	13.6
95.04942	6.7
95.08098	1.1
95.08607	9.9
97.06497	2.6
98.20710	1.1
98.97549	1.2
99.04440	4.9
101.06004	23.3
105.06295	1.3
105.07010	25.1
107.04942	56.1
107.08580	47.5
109.06490	4.3
109.10140	20.4
111.04428	69.0
111.08041	1.9
113.05985	12.1
114.48598	1.1
116.98619	2.6
117.06992	3.3
119.01863	1.1
119.04902	4.4
119.08566	16.3
121.06467	3.0
121.10143	9.9
122.07288	1.7
123.08028	5.2
123.11729	1.4
125.09686	1.6
127.07545	12.1
128.06223	2.2
129.05464	28.6
129.07001	3.1
129.65146	1.2
131.08534	7.9
132.95770	1.4
133.06468	3.2
133.10118	37.2
135.07990	1.5
135.11710	8.5
137.05969	2.9
137.08649	1.8
137.09608	25.4
142.07744	3.0
143.08502	5.4
145.10078	3.0
146.07217	2.2
147.06573	2.2
147.08008	3.9
147.11658	8.3
155.07013	100.0
156.05692	1.9
156.09293	2.9
157.06497	1.5
157.10085	8.9
158.99692	1.2
159.08083	1.8
159.11641	9.9
161.09601	27.9
161.13234	4.5
170.10898	1.9
171.11670	3.8
173.08080	52.6
173.13272	3.5
175.11124	5.6
175.14813	12.5
177.00626	1.1
189.12756	1.9
189.16402	4.6
199.07864	1.4
199.09613	5.7
199.11237	1.4
199.14792	12.9
217.05025	1.2
217.08711	3.9
217.10645	47.7
217.15845	62.9
217.19444	4.6
218.21143	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	215.016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29875	0.9
56.96552	1.7
57.03428	2.4
58.06586	8.4
59.07369	2.2
60.08149	4.4
61.02912	3.8
67.05476	1.0
68.05007	1.1
69.03401	1.4
69.07047	1.1
70.06583	14.5
70.61599	1.7
70.61979	1.7
72.08134	3.9
72.93770	1.6
73.02897	0.9
73.05276	0.9
77.42644	0.9
78.02403	0.9
85.02895	1.3
87.87453	1.1
88.13483	1.0
90.94827	3.3
98.06046	5.3
99.04393	1.0
100.07587	3.9
106.09112	0.9
112.07581	5.9
114.05516	4.2
118.08637	1.5
119.01878	4.9
128.07082	5.7
131.01880	1.1
132.95816	5.9
134.99609	1.0
137.02931	2.6
149.96140	1.6
150.96870	22.4
156.06546	3.7
167.97136	1.7
168.97878	1.1
187.00954	1.4
191.97101	5.5
209.98163	4.2
215.01637	27.0
215.05287	1.6
215.13892	100.0
216.00461	1.0
231.25467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01867	1.8
55.05507	43.4
56.05017	1.2
59.04980	4.2
61.02901	1.0
67.05486	3.1
69.03416	3.7
69.07027	1.6
70.06570	3.2
70.82860	1.0
71.08086	1.6
71.08406	1.2
72.08130	1.9
73.02903	3.0
82.42955	1.0
83.04974	65.6
83.08588	3.6
84.04449	1.8
85.06520	4.6
86.06062	1.2
87.04450	7.3
89.02395	6.1
89.06021	11.9
96.31419	1.0
99.04438	4.3
101.00821	1.1
101.06008	26.0
111.04434	74.1
111.08047	1.9
113.06010	9.7
116.07047	1.4
119.01906	6.8
124.23448	1.0
127.07536	12.4
129.05473	24.7
137.02927	3.2
137.05925	4.0
144.95860	1.1
145.03439	3.7
146.92328	1.0
146.95938	1.0
147.06575	1.7
154.08578	1.2
155.07014	100.0
158.08197	1.6
162.96851	2.0
163.04524	2.5
169.88062	1.3
173.08083	59.7
189.02438	1.8
199.02063	4.5
199.05766	2.4
199.09671	5.3
217.03317	19.9
217.06834	43.1
217.10667	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	213.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	10.8
55.05500	9.6
56.96554	37.4
59.06107	6.1
61.02890	5.2
65.03925	10.3
67.05491	14.2
68.05018	6.9
69.03416	8.5
69.05812	6.3
69.07062	18.2
70.06586	17.8
71.04965	6.5
71.58714	7.7
72.08141	9.6
73.02904	10.8
79.05496	31.2
81.03395	6.7
81.07043	21.4
83.04939	4.9
84.08124	4.7
85.02884	5.4
86.09699	8.6
88.07616	8.5
90.94767	5.9
91.05455	29.2
93.07034	17.1
94.06541	10.5
95.04964	17.8
95.08615	9.4
96.08098	5.5
97.02882	9.0
97.06538	11.4
97.07617	7.2
99.04432	5.9
99.05594	6.4
105.07030	37.5
106.06522	12.3
107.04953	34.1
107.08595	11.1
108.08098	12.5
109.06498	14.1
110.03620	12.1
110.06004	7.9
111.04428	16.6
111.78745	5.1
116.98618	10.6
118.06510	19.3
119.04939	21.7
119.07310	19.8
120.05747	10.1
120.08110	11.1
121.06490	21.4
122.09632	10.5
123.04424	6.9
123.08094	6.1
124.05212	5.2
125.02327	6.9
125.05993	26.4
128.98569	7.9
132.08051	47.2
133.02786	5.3
133.06505	24.3
134.05986	6.1
134.99651	17.1
135.04413	14.2
135.08090	5.3
135.09169	5.7
135.22852	4.8
136.04982	4.8
136.07552	19.9
137.05986	21.3
137.08324	18.1
141.00066	7.6
141.05472	6.4
146.99666	11.2
148.07588	9.4
148.97346	32.8
149.05957	20.9
150.00702	7.3
150.03229	5.2
150.09131	10.0
151.03899	45.2
151.04948	9.0
151.07486	7.2
152.07037	7.7
153.05432	10.5
154.06245	5.4
159.09172	23.0
160.07536	29.2
163.03908	6.3
165.05508	14.4
165.97554	7.5
166.08685	8.5
166.98386	5.8
167.07071	56.5
167.08476	6.4
167.09015	5.1
170.08339	5.6
174.00838	7.6
177.05453	11.7
177.10242	46.8
178.08585	31.6
185.09984	14.4
189.97627	11.5
195.06493	8.2
195.11281	78.1
196.09688	12.3
207.98747	8.6
213.06721	7.7
213.10037	20.7
213.12256	100.0
214.10747	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	213.1482
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.05499	49.7
56.96554	69.8
57.03415	18.9
67.05497	48.1
69.03418	21.3
69.07063	44.1
71.05006	23.5
71.59724	23.0
79.05484	45.6
81.07057	68.0
83.08599	43.1
84.95607	19.8
85.06538	21.0
88.07612	37.5
90.90382	37.9
90.94818	21.0
91.05457	23.9
93.07030	68.2
95.08598	25.6
97.06528	24.2
105.07023	53.5
107.04957	18.7
107.08572	40.2
109.10175	22.0
117.06986	20.1
119.08564	26.7
121.10130	34.1
126.01786	19.1
131.97398	14.4
134.99664	20.7
141.07034	13.7
142.07747	17.3
143.08557	53.3
145.10107	17.9
148.94307	18.0
148.97333	57.3
149.01216	16.8
149.13190	17.9
149.94011	88.5
155.08455	15.2
156.09364	18.3
157.10089	52.2
167.07030	49.9
167.08777	22.3
167.95055	18.7
171.11708	45.8
185.07144	34.4
185.10048	57.0
189.97652	15.7
213.03708	19.5
213.09647	38.2
213.12822	38.2
213.16396	100.0
231.09032	41.9
234.93056	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	213.1119
Annotation	Melazolide A
Peak:m/z	Relative Intensity
55.01862	2.9
55.05518	4.8
55.84825	2.1
56.05023	2.8
56.21010	2.0
56.96561	17.7
58.06599	2.6
65.89723	2.1
67.05492	5.1
69.03422	5.0
69.07072	5.8
70.06579	9.9
70.94242	3.1
71.05008	3.5
71.22771	3.2
72.08186	5.8
72.93791	2.2
74.65601	2.1
79.05481	13.6
81.07052	8.9
83.04974	2.5
84.04500	3.1
86.09697	3.5
88.95285	3.4
91.05482	29.2
93.07031	20.7
95.04966	6.9
95.08619	6.3
97.06564	4.6
98.97585	3.2
99.04488	2.6
105.07012	45.2
107.04937	8.3
107.08588	65.5
109.06519	4.3
109.10130	2.8
110.07153	3.2
111.04469	5.5
116.06261	4.6
116.98605	3.6
117.07047	3.0
119.04926	2.5
119.08574	100.0
121.06444	3.5
121.10130	28.8
122.34080	2.3
123.08076	3.7
125.05996	3.8
125.09652	3.6
128.98659	2.6
129.06944	3.0
130.96294	3.5
131.08534	31.7
133.06491	4.2
133.10135	4.3
134.99629	7.6
135.04449	2.8
135.08015	7.0
137.05925	3.7
141.41257	2.0
146.99638	3.8
147.08029	41.5
148.97372	20.1
149.06000	3.8
149.08505	4.2
149.09604	31.6
149.87845	2.3
151.03871	5.1
153.05496	3.6
159.08084	7.3
163.03891	2.8
163.07547	3.3
163.50209	2.3
165.09093	35.8
167.03397	3.3
167.07086	5.2
167.10672	6.8
171.98935	2.8
174.00798	3.6
177.09079	31.3
185.07205	4.1
185.09924	5.3
185.13194	2.1
189.01913	2.2
189.97691	5.3
195.06627	3.4
195.08859	2.6
195.10223	28.6
213.09541	4.7
213.11528	16.1
214.37216	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	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03938	0.9
55.01858	0.9
55.05506	0.6
56.96558	1.8
57.03417	0.4
57.07034	0.4
65.03941	0.6
67.05486	0.9
69.03415	0.8
69.07053	0.8
70.06569	0.8
70.94260	0.3
71.59267	0.6
72.08163	0.5
77.03903	0.5
78.04701	2.9
79.05056	0.5
79.05488	8.5
81.03416	0.5
81.07034	1.7
83.08582	0.4
85.02901	0.9
85.06532	0.4
86.09684	0.6
88.07615	0.4
91.05463	4.9
93.03398	0.4
93.07033	1.4
94.04195	0.5
95.04958	3.7
95.08578	0.6
96.05719	0.5
97.06513	0.5
98.97578	2.1
103.05459	8.5
105.03404	0.4
105.04552	0.4
105.07021	6.3
106.04180	0.9
107.04943	57.9
107.08571	1.8
108.05248	0.5
109.02861	0.4
109.06493	1.2
109.85569	0.3
110.03642	0.4
111.04429	0.7
112.11227	0.3
115.05445	4.2
116.06284	0.3
116.98609	2.4
117.07011	1.4
119.04924	0.9
120.05705	2.0
121.02869	0.4
121.06523	0.8
121.10133	0.7
123.04424	6.2
123.08067	0.5
124.05199	3.7
125.06034	1.5
131.04927	2.5
133.06435	1.1
134.03584	0.5
134.07272	0.3
134.99655	2.1
135.08038	15.6
137.05965	1.7
139.03874	0.7
139.07532	0.4
140.04646	0.3
145.06544	0.5
145.07597	1.3
146.99620	0.3
147.04405	1.3
147.11719	0.4
148.97321	0.9
149.05951	0.6
149.09601	0.4
151.03833	1.5
152.04681	2.5
154.06253	2.4
158.99634	0.5
163.07526	26.0
164.07983	0.6
165.05470	1.0
167.07021	100.0
168.07417	1.3
177.00684	1.1
180.07805	3.8
185.10014	1.2
189.12688	0.5
195.10164	15.2
207.06546	0.5
213.03925	0.3
213.09303	0.6
213.11087	1.4
213.16371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
52.67778	0.4
53.00275	0.5
53.02444	0.4
53.03920	0.9
55.01857	0.8
55.05494	1.4
56.96553	1.4
57.03428	0.8
63.71451	0.4
67.05485	1.2
69.03400	0.8
69.07050	1.3
70.06577	0.9
70.79203	0.4
70.80747	0.3
71.04979	0.6
72.08145	0.7
77.03899	0.4
78.04331	0.4
78.04685	2.6
79.05479	8.8
81.03371	0.5
81.07040	1.1
83.04955	0.6
83.08627	0.5
84.04474	0.6
85.02900	0.6
85.06520	1.5
86.09675	0.6
91.05475	4.5
93.03388	0.5
93.07030	1.7
93.39473	0.4
95.04965	2.9
95.08598	0.7
96.05750	0.5
97.02860	0.5
97.06528	0.7
98.97575	1.5
100.11241	1.5
103.05448	7.4
103.26629	0.4
105.03377	0.7
105.04503	0.5
105.07005	6.6
106.04143	1.4
107.04937	56.2
107.08574	1.1
108.05260	0.6
109.02907	0.5
109.06519	1.0
109.43855	0.5
111.08049	0.6
115.05437	3.3
116.98606	1.4
117.06987	1.4
119.04935	0.6
119.08553	0.5
120.05713	2.1
121.06475	1.5
121.10122	1.5
122.03641	0.5
123.04420	7.4
124.05205	3.8
125.05946	1.7
128.98553	0.5
131.04907	2.8
133.06451	0.5
134.99641	1.1
135.08026	14.6
137.05934	1.2
137.09592	0.7
141.11406	1.2
145.07578	0.7
146.99615	0.5
147.04391	1.1
149.05977	0.6
149.13228	0.5
151.03856	1.2
152.04646	2.4
154.06140	2.3
163.07516	25.6
165.05479	0.7
167.07011	100.0
168.07344	1.3
177.00711	1.1
180.07770	3.8
182.15349	1.4
195.10150	14.4
204.64581	0.5
213.11168	1.4
213.17714	0.7
229.68594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43752	0.4
53.03924	1.3
53.68442	0.5
55.01863	0.7
55.05501	1.2
56.96544	1.7
57.03427	0.6
60.51940	0.5
62.06050	0.6
65.03943	0.7
67.05485	1.8
69.03410	0.7
69.07066	0.7
70.02962	0.5
70.06570	2.1
70.71916	0.5
70.72236	1.3
71.04975	0.9
71.08604	0.6
78.04697	2.3
79.05052	0.9
79.05479	10.5
80.05014	0.7
81.07037	2.3
82.06564	0.6
83.08582	0.8
84.04520	0.5
87.05575	0.7
88.07607	1.1
91.05473	4.3
93.07035	2.0
95.04942	3.4
95.08588	1.2
97.02846	0.7
97.06510	0.8
98.06031	5.7
98.20888	0.5
98.97569	1.7
99.04442	1.3
103.05450	8.6
105.03365	0.6
105.07018	6.1
106.04172	0.7
107.04943	64.4
107.08620	2.7
109.06483	0.9
109.10112	0.6
110.06010	1.7
111.04371	0.7
111.08029	0.8
115.05444	4.6
116.98605	2.0
117.06985	1.1
119.04923	1.0
120.05694	2.4
122.06015	0.8
123.04404	6.6
123.08059	1.0
124.05206	4.2
124.07571	1.8
125.05940	1.5
126.05476	0.6
131.04895	3.0
131.08459	0.7
133.06505	0.6
134.03621	0.5
135.08037	16.8
137.05898	0.8
139.03894	1.2
139.07567	0.7
145.07596	0.7
147.04390	1.8
148.97351	0.9
149.09521	0.8
150.05470	4.2
151.03860	1.4
152.04678	1.9
154.04985	2.4
154.06226	1.9
163.07527	25.2
165.05476	0.6
166.78481	0.7
167.07019	100.0
168.06450	3.7
180.07823	3.2
185.09659	0.6
195.10152	15.7
196.06050	2.5
213.09305	0.9
213.11127	2.5
213.12917	1.2
214.05211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03930	1.0
55.01851	1.1
55.05519	3.4
56.96545	3.0
60.45176	0.7
67.05501	4.2
68.90462	0.7
69.03419	1.1
69.07053	2.7
69.40668	5.9
70.06557	0.8
70.08917	0.7
71.04989	4.0
74.81333	0.7
77.45287	0.7
78.04695	1.9
79.05487	10.8
81.07059	5.7
83.08604	1.8
84.68923	0.8
85.02898	1.0
85.06534	9.5
88.07623	1.4
91.05463	4.8
93.07040	3.1
95.04970	4.1
95.08614	4.3
97.02879	1.1
97.06545	1.2
98.97562	1.2
99.08076	0.9
103.05452	7.7
105.07010	6.3
106.04153	1.3
107.04950	56.3
107.08591	3.1
109.10141	6.1
112.32813	0.7
115.05437	2.8
116.98616	2.5
117.07007	1.3
120.05721	2.0
121.06476	1.7
121.10131	2.6
123.04417	6.6
123.11703	1.0
124.05196	3.0
125.05968	2.1
125.09631	1.0
128.06198	0.8
129.07048	0.8
131.04918	2.3
133.06479	0.9
134.99614	1.6
135.08047	14.3
135.11678	1.5
137.13165	0.9
139.11104	0.7
142.07762	1.2
143.08536	1.7
146.99646	1.1
148.97342	2.2
149.13290	1.5
151.03891	1.2
152.04648	1.7
153.12781	1.1
154.06186	2.2
157.10144	3.3
163.07541	25.8
165.05357	1.0
167.07036	100.0
168.07416	2.4
171.11673	2.0
177.16376	1.0
180.07826	2.7
181.04938	0.9
185.07170	1.1
185.09850	2.9
189.97592	0.9
195.10188	14.6
195.17462	1.3
213.07095	0.7
213.09300	3.0
213.11194	1.0
213.12917	1.7
213.16444	3.6
213.18185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03931	3.8
55.01837	2.3
55.05517	4.6
56.05013	2.0
56.96560	14.3
57.07072	3.1
59.06124	2.8
61.02929	11.2
65.03928	7.2
67.05502	5.8
68.96336	1.9
69.03423	2.6
69.07054	5.9
70.06588	11.5
71.04991	2.0
72.08146	4.2
72.93778	3.4
79.05486	22.6
80.05032	1.9
81.07060	5.2
83.04980	2.0
83.08620	2.9
84.04510	2.0
86.09676	3.1
88.07617	4.1
91.05481	7.9
93.03382	2.3
93.07043	3.8
95.04977	11.7
95.08569	3.6
97.02257	2.0
98.20625	3.7
98.21326	11.0
98.97567	2.8
105.07030	4.6
107.04947	36.6
107.08591	5.0
108.02079	2.7
109.06493	2.1
109.10162	2.0
110.03648	26.5
110.07198	3.0
111.04443	19.5
116.98630	4.3
119.04858	2.1
119.08589	4.0
121.06483	11.1
121.10104	2.8
122.03623	5.4
123.05572	1.9
125.05980	72.7
130.96268	3.8
133.02841	10.2
134.99614	3.8
135.04390	25.9
135.08040	2.4
137.05952	7.6
139.03856	2.0
141.05461	6.8
143.79462	1.9
147.96631	2.2
148.97369	15.3
149.05966	23.1
150.03125	10.6
151.03893	100.0
151.05005	8.0
152.04202	1.9
153.05447	14.1
154.05869	2.2
163.03931	7.4
163.07513	2.7
165.05464	35.9
165.97694	2.3
167.07050	22.6
174.00797	5.4
177.05466	18.1
185.09853	2.0
189.01904	3.8
189.97719	3.8
195.06593	12.3
207.98834	4.1
208.01143	3.8
213.07458	4.4
213.10034	6.1
213.12392	4.0
213.16295	2.9
213.18503	2.3
229.40407	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	212.0915
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03929	1.4
55.01851	2.6
55.05500	1.9
55.93495	1.2
56.05027	1.7
56.11864	0.9
56.94291	4.4
56.96560	8.4
57.03433	4.9
61.02901	4.1
67.05495	1.2
69.03408	4.2
69.21857	0.9
70.06560	3.9
70.98093	1.0
71.01346	1.1
71.03717	2.6
71.04983	1.6
71.94084	2.4
72.04504	1.1
72.08125	1.4
72.93780	10.7
73.02902	6.3
75.97108	0.9
79.05473	2.2
80.04998	3.8
81.03394	2.5
81.07049	1.5
82.06570	1.4
83.06078	1.2
84.04493	2.0
84.08114	2.8
85.02880	6.1
90.94817	11.8
91.05463	3.7
93.06924	1.1
94.06558	2.2
95.04956	1.9
95.07316	1.2
96.04474	2.3
96.08100	3.1
97.02878	5.4
98.06033	3.3
98.97569	4.2
99.04430	1.2
100.02201	1.4
102.94798	1.8
103.05461	1.5
104.96349	3.2
105.06989	1.1
106.06519	1.7
107.04951	3.3
108.04466	2.3
108.95860	6.7
109.02843	1.3
109.07625	1.4
110.06040	1.7
110.09699	1.2
111.04419	1.2
111.09157	1.3
112.07575	3.5
112.96686	1.7
113.96385	11.0
116.98580	4.6
117.01878	1.5
119.01888	6.1
119.04886	1.6
120.01933	1.1
120.08070	4.2
121.01653	1.7
121.02877	1.0
121.06496	2.4
122.06004	2.2
122.97399	5.3
123.04397	1.9
124.07571	5.1
125.05972	1.0
125.07097	1.7
125.96146	1.1
126.00720	1.4
126.02500	2.3
126.05496	1.4
127.03892	1.9
127.97924	2.0
128.02292	1.0
128.98587	1.9
130.97775	1.2
131.01801	2.3
131.97432	14.4
133.01518	1.7
134.05994	18.5
134.99629	1.7
136.07568	4.6
137.02815	1.5
137.05962	3.2
137.08278	2.7
138.05487	2.9
138.09135	3.3
140.07091	10.8
142.08604	1.3
143.01866	1.6
145.03488	1.1
145.98996	7.9
146.99600	3.1
147.03194	1.1
148.03891	1.9
148.07526	7.3
148.97400	2.2
149.05988	6.4
150.09094	1.2
151.52391	1.3
152.03371	1.9
152.07045	32.6
152.11853	1.1
153.05434	1.6
153.07388	1.7
153.10158	1.5
158.06581	1.3
158.99567	1.0
161.01161	2.0
161.02888	4.9
161.97267	1.4
162.97139	1.0
166.04929	2.4
166.08614	45.3
167.06973	1.1
168.06505	1.8
169.01170	0.9
171.02977	1.4
176.07034	8.4
177.00690	2.9
177.05443	1.3
177.07278	1.1
184.09677	36.7
188.07584	1.4
188.92484	1.9
189.00668	3.0
190.98587	2.5
192.04239	1.3
193.03789	1.2
194.04494	13.5
194.08101	100.0
195.02916	2.9
195.06448	1.7
195.08380	2.2
206.95865	2.4
206.98776	2.0
207.01738	2.3
211.94063	1.0
211.96274	1.1
212.05602	3.6
212.09148	67.1
212.16431	2.7
213.09441	1.6
213.12204	1.8
230.03339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12275	1.3
55.05503	23.4
56.96551	3.1
57.03426	6.2
57.07064	3.6
59.05012	2.1
67.05499	35.3
67.75982	1.5
69.03413	3.1
69.07056	16.3
69.78128	3.5
69.78543	7.3
71.04984	7.7
71.08624	2.3
71.68598	1.4
79.05484	9.3
81.03406	4.5
81.07048	37.3
83.04979	12.7
83.08620	14.4
85.06535	6.9
91.05465	10.1
93.07030	24.7
95.04975	9.7
95.08601	58.7
97.06557	8.2
97.10155	2.9
99.08088	2.9
104.88089	1.5
105.07028	17.1
107.04940	3.2
107.08585	32.1
109.06505	17.4
109.10147	100.0
111.08070	46.2
111.31911	1.5
113.06001	3.8
113.09609	1.8
119.04937	1.8
119.08567	35.9
121.06516	3.7
121.10139	28.3
122.07279	2.0
123.04432	17.9
123.08053	46.4
123.11694	14.9
125.09628	5.6
127.11183	2.4
133.06448	1.9
133.10124	38.5
135.08128	1.9
135.11681	48.2
137.05986	2.1
137.09604	94.1
137.13243	4.9
138.10390	9.2
138.72501	1.6
139.11139	4.5
147.04370	3.1
147.11661	8.8
147.13672	1.5
149.13260	15.3
151.07553	9.0
151.11189	5.1
151.14807	8.2
163.11176	2.9
163.14703	1.6
163.97749	2.0
165.08913	1.8
165.12698	8.8
165.16385	2.5
167.07033	11.9
169.92972	1.8
175.14806	52.3
178.65163	1.5
179.07019	26.9
184.09702	3.7
190.81932	1.7
193.08656	5.0
193.15852	26.6
193.17427	2.5
205.98825	2.7
211.09698	1.8
211.15002	2.7
211.16911	18.5
212.09184	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
54.15286	2.1
55.01861	5.3
55.05502	26.5
56.96554	31.8
57.03423	7.1
57.07063	8.5
59.04995	14.9
61.10369	2.0
67.05495	29.9
67.05830	3.5
69.03422	9.1
69.07058	31.0
70.26996	2.5
71.04981	59.7
71.08598	2.2
71.95235	2.5
73.02885	2.8
77.03900	2.2
79.05481	26.3
80.44404	2.4
81.03407	20.1
81.07043	57.6
83.04965	18.3
83.08614	26.3
84.96046	3.7
85.02894	3.7
85.06517	11.0
91.05470	16.9
93.07034	45.7
95.04964	11.5
95.08593	64.6
97.06518	32.5
97.10154	6.9
97.99163	5.1
98.97582	5.2
99.04428	9.0
99.08092	13.2
105.07027	24.3
107.08579	47.5
109.06532	12.9
109.07142	2.6
109.10132	43.7
111.04451	3.2
111.08071	9.6
113.09601	2.8
115.07550	13.2
116.00179	3.6
116.98573	5.6
117.06975	2.8
119.04935	2.2
119.08565	44.3
121.10109	24.8
123.04394	6.0
123.08052	15.7
123.11686	54.0
125.09620	7.5
127.07551	7.5
129.06982	2.7
131.08627	2.5
131.97423	3.1
133.10110	42.4
134.99620	4.3
135.11670	100.0
137.06001	3.5
137.09599	16.3
137.13222	3.1
141.09094	4.7
141.12721	8.0
147.04335	3.4
147.11673	10.2
149.05969	2.5
149.09589	3.6
149.13242	8.0
151.07549	5.1
151.11143	5.6
151.14713	4.1
153.12733	20.1
155.03378	4.2
155.08551	7.0
155.10648	4.4
157.10062	3.4
163.97707	11.7
166.08719	3.4
167.07048	12.6
169.07538	4.3
169.10112	7.8
169.99187	2.5
170.05740	7.0
175.11232	4.4
175.14804	59.0
177.00749	3.4
179.07005	8.1
181.98749	6.4
183.11673	4.0
184.09663	7.4
189.00929	2.3
193.07568	4.4
193.12180	11.1
193.15878	19.5
194.08066	2.5
196.12447	3.5
205.98735	11.7
211.05867	5.3
211.08630	8.0
211.11232	5.3
211.13239	6.9
211.14841	10.8
211.16917	38.2
211.18797	2.1
212.09122	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	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.62326	0.8
53.03939	1.1
54.06019	1.0
55.05501	13.7
56.56908	0.9
56.96539	1.1
57.07051	3.1
59.04989	2.2
65.25010	1.1
67.05494	26.6
69.03428	9.0
69.07059	14.6
70.90952	1.8
70.91297	1.1
71.04987	2.6
71.08611	1.4
73.17595	0.8
79.05478	3.4
81.03374	1.0
81.06579	1.5
81.07049	27.1
83.04974	12.4
83.08619	9.7
85.06536	5.0
91.05488	5.5
93.07021	11.7
95.04955	2.8
95.08595	36.1
97.06535	1.9
97.10157	2.0
98.04266	0.9
99.08096	4.8
105.07011	6.1
107.08578	25.1
108.25502	1.0
109.06511	12.4
109.10143	100.0
110.10377	1.2
111.04444	0.9
111.08070	4.0
113.09628	1.7
119.08567	21.0
121.10143	10.1
123.08049	12.7
123.11690	8.2
131.08492	1.0
133.10114	18.2
135.11676	58.7
137.09601	13.8
139.11151	2.2
147.11624	0.8
149.13269	4.6
151.11179	9.3
151.14790	10.9
153.12703	2.7
158.88892	0.8
161.44540	0.8
165.16400	1.7
167.06987	5.0
175.14818	14.2
176.90788	0.9
177.79195	0.9
193.15865	18.2
211.16924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.00042	1.0
55.05302	0.9
55.05508	11.3
57.07059	4.3
59.04979	1.7
67.05174	1.6
67.05502	24.5
69.03426	8.5
69.06722	1.1
69.07068	15.5
70.12286	5.0
71.04973	3.8
71.08595	1.3
72.21332	1.0
79.05488	5.3
81.07056	25.9
83.04977	12.1
83.08614	9.6
84.17838	0.9
85.06524	4.6
87.08138	1.0
91.05460	3.5
93.07049	10.3
95.04951	2.5
95.08599	35.5
97.10152	3.1
98.20771	1.3
99.08076	4.5
105.07015	7.3
107.04968	1.1
107.08587	25.1
109.06516	11.6
109.10148	100.0
110.10456	1.5
111.08083	3.4
113.09616	1.7
119.08572	22.9
121.10143	11.0
123.04414	1.9
123.08062	13.1
123.11718	8.3
125.09616	2.0
129.14914	0.9
129.21979	0.9
129.33722	1.1
133.10129	18.6
135.11684	66.7
136.12009	1.3
137.09610	17.9
138.10381	1.6
139.11198	1.7
147.11720	1.4
149.13275	6.3
151.07430	1.0
151.11182	10.5
151.14816	13.4
153.12679	2.3
165.16376	3.2
167.07051	5.4
172.31497	1.1
175.14827	19.5
179.07036	3.4
193.15878	16.8
211.16873	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.38182	1.6
53.03926	3.0
55.01864	3.5
55.05506	25.6
56.96565	7.7
57.03431	7.9
57.07063	7.8
59.04994	11.4
65.03900	1.6
67.05173	2.3
67.05497	32.4
69.03411	4.1
69.06724	2.6
69.07059	35.6
69.41379	5.0
69.41814	11.6
71.04984	55.2
71.08598	2.3
76.67474	1.4
79.05485	17.0
81.03394	7.5
81.07051	62.0
81.36739	1.6
83.04982	10.9
83.08611	21.6
85.06538	11.6
85.29100	1.4
91.05457	12.6
93.06474	3.0
93.07037	49.0
95.04956	7.8
95.08597	80.8
97.06524	25.3
97.10137	6.0
97.99157	2.0
98.97523	1.9
99.04427	6.0
99.08098	9.1
101.06050	1.9
105.07005	17.4
107.07856	2.9
107.08582	53.6
109.05904	1.3
109.06532	13.0
109.10145	76.1
110.76544	1.5
111.08069	29.7
113.06018	2.5
113.09606	4.8
115.07557	10.7
116.98627	2.2
117.06926	2.6
119.08570	49.2
121.10132	34.8
123.04403	2.8
123.07197	2.0
123.08060	30.0
123.11694	80.1
124.12009	1.9
125.09602	8.7
127.07519	3.5
129.06967	1.9
131.08507	2.1
133.09120	2.5
133.10118	48.9
134.10376	1.7
135.11679	100.0
136.12006	1.8
137.09599	54.5
137.13226	7.1
138.10326	4.9
139.11147	2.3
141.09088	2.9
141.12717	5.6
147.11658	7.2
149.13228	17.3
151.03851	2.2
151.11151	5.5
151.14793	9.5
153.12703	11.3
155.10611	6.5
163.97684	6.1
165.12718	5.8
165.16299	2.8
166.08647	2.2
167.07028	8.0
167.14305	4.5
169.07652	2.8
169.10210	2.4
173.48033	1.6
175.11292	1.8
175.14807	54.9
179.07120	3.0
184.09666	3.5
193.12225	5.0
193.15862	28.7
205.98726	2.7
211.05711	1.6
211.08806	2.3
211.11322	1.9
211.14868	5.2
211.16885	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	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.49473	0.6
53.03939	3.8
55.01860	6.6
55.05503	41.4
56.96556	1.3
57.03430	8.3
57.07051	0.8
59.04983	2.0
65.03936	2.3
66.06450	0.5
67.05493	32.8
69.03417	9.3
69.07059	10.2
70.50752	2.3
71.04980	5.6
73.06545	0.9
74.10153	0.6
74.87705	0.6
78.04709	2.0
78.41050	0.7
78.63947	0.5
79.05484	34.5
79.05951	1.6
81.03404	100.0
81.07043	38.0
83.04967	51.7
83.08605	30.4
83.09109	1.1
85.02890	2.3
85.06522	2.4
87.04464	0.8
91.05469	40.6
93.03400	0.6
93.07028	21.4
95.04954	37.7
95.08591	12.8
95.09166	1.2
97.02869	2.9
97.06538	4.1
97.10150	8.7
98.97564	0.8
99.08085	1.8
100.03896	0.7
101.06000	0.8
101.09695	0.8
103.05453	6.1
105.04496	0.8
105.07012	27.0
106.04147	0.9
107.04944	7.9
107.08572	9.2
109.06499	6.4
109.10123	4.1
111.04411	3.1
111.08061	13.0
111.08833	0.7
113.06053	1.0
115.05449	2.1
116.06185	0.7
117.07014	1.6
118.04139	1.5
119.04929	2.2
119.08567	20.2
121.06477	10.1
121.10114	7.8
123.04404	12.1
123.08031	5.3
123.11702	1.6
124.05195	0.9
125.09637	2.3
128.06223	1.0
129.06985	10.6
131.08556	11.9
133.06480	7.7
133.10104	11.7
135.08034	0.9
135.11674	1.7
137.02458	0.7
137.05952	1.8
137.09599	3.0
142.07782	2.8
145.10106	1.5
147.04346	0.6
147.08038	3.3
147.11673	12.1
149.05949	13.7
149.09592	6.7
150.06779	2.0
151.03917	2.2
151.07538	5.9
151.11171	0.8
152.04637	1.1
157.10112	14.1
161.06017	2.5
163.97664	0.9
165.05457	0.8
165.09100	2.6
165.12680	3.1
166.06247	2.7
167.07018	46.6
168.07416	0.9
175.11168	15.2
175.12682	0.8
175.14778	0.8
179.07005	16.2
179.08510	0.9
180.07877	0.9
181.08582	11.9
181.10176	0.8
193.08604	6.0
193.12212	33.6
201.36720	0.7
205.98759	1.7
211.09920	3.0
211.13208	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02374	1.0
53.03946	5.5
53.34084	1.2
55.01873	6.0
55.05509	42.8
57.02604	0.9
57.03433	9.2
57.07059	1.3
61.53081	0.9
65.03930	1.6
67.05500	30.3
69.03425	10.3
69.07064	10.5
71.04970	4.7
71.05317	1.9
77.03887	1.1
79.05487	33.3
79.05957	1.8
81.03413	100.0
81.07054	38.0
83.04977	49.8
83.08611	33.8
84.36749	1.0
85.02884	1.3
85.06531	3.2
91.05481	38.0
93.07040	17.1
95.04965	31.1
95.08592	11.6
97.02897	2.1
97.06509	3.5
97.10166	8.3
99.08079	2.2
102.48942	0.9
103.05499	1.1
105.07034	21.2
105.41970	1.0
107.04944	8.2
107.08588	7.1
109.06515	7.4
109.10152	3.7
110.61182	0.9
111.04440	2.5
111.08066	10.9
115.05458	1.8
117.07000	1.6
119.04919	1.2
119.08583	18.8
121.06493	1.7
121.10130	8.2
123.04343	1.6
123.08040	3.6
123.11713	1.3
125.09618	3.0
129.07007	13.8
131.08575	11.7
133.06496	5.7
133.10133	12.7
137.09598	3.1
142.07755	2.8
145.10019	1.5
147.08038	3.7
147.11676	16.5
149.09602	8.1
151.07564	1.2
151.11118	1.7
157.10118	15.6
165.12769	2.4
167.06981	1.8
169.10092	2.2
174.93350	1.3
175.11182	15.2
179.07159	2.2
186.05420	1.1
193.12234	35.5
205.98682	1.3
211.08650	1.9
211.13248	12.9
211.14978	1.7
234.79224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03933	6.5
55.01855	7.4
55.05503	50.2
56.96563	32.7
57.03429	13.2
57.07046	5.4
59.04969	3.4
63.97376	2.0
67.05164	3.3
67.05496	42.9
69.03415	10.0
69.07056	17.9
71.04970	7.6
71.59364	2.3
73.02886	2.2
79.05486	35.1
81.03408	100.0
81.07046	49.5
82.03779	2.2
83.04971	45.2
83.08608	35.8
84.96017	5.5
85.02885	5.8
85.06506	6.5
89.69695	2.1
91.05468	36.9
93.07034	26.0
95.04955	31.9
95.08597	32.0
97.02874	4.5
97.06509	8.1
97.10146	7.8
97.99186	5.4
98.97562	3.3
99.08067	5.0
103.05447	2.6
105.07014	30.8
107.04936	6.4
107.08601	15.3
108.67882	2.3
109.06502	10.3
109.10141	22.8
111.04449	4.8
111.08083	13.4
113.06013	2.3
116.00206	7.8
116.98569	3.3
117.07005	2.2
119.08569	23.6
121.06473	3.5
121.10138	13.6
123.04388	4.2
123.08031	6.9
123.11689	5.5
125.09552	3.7
129.06993	13.9
131.08562	13.3
133.06473	4.1
133.10138	14.8
135.11638	10.8
136.63295	2.5
137.05966	4.4
137.09590	6.9
142.07745	3.4
145.10042	2.1
147.08057	5.0
147.11659	15.3
149.09608	5.4
151.07498	2.7
151.14786	2.4
155.08490	4.2
157.10120	14.5
163.97740	12.7
165.12798	3.0
166.08649	3.0
167.06963	3.3
167.08411	1.9
169.10075	6.5
175.11150	19.7
175.14726	4.1
179.06978	5.1
181.10057	3.0
181.98689	6.1
183.06540	2.5
183.11572	2.5
184.09642	8.2
193.10417	3.3
193.12212	37.2
193.15778	3.9
205.98763	15.4
211.05933	4.9
211.08653	7.9
211.11229	3.9
211.13089	17.7
211.14856	9.4
211.16771	3.7
212.09122	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03939	5.1
55.01862	9.3
55.05507	52.3
56.96562	19.4
57.03440	9.7
57.07058	6.4
64.12939	1.6
65.03918	4.0
67.05499	73.4
69.03421	16.3
69.07069	28.1
70.58647	2.2
70.58974	3.4
71.04983	21.4
73.02906	2.1
79.05051	3.3
79.05483	42.9
81.03410	100.0
81.07050	74.3
83.04975	48.7
83.08134	2.7
83.08611	44.0
85.02908	2.4
85.06541	10.2
91.05473	49.9
93.07035	41.4
95.04960	38.5
95.08596	61.0
97.02895	5.1
97.06530	24.8
97.10152	11.6
98.97552	2.4
99.04454	3.4
99.08076	4.6
103.05430	3.6
105.07021	35.5
107.04930	6.4
107.08584	22.1
109.06493	12.9
109.10151	50.5
111.04428	3.8
111.08063	23.1
115.05457	4.0
116.00205	3.1
116.98589	3.7
119.04968	2.0
119.08568	36.7
121.06501	6.2
121.10136	16.7
123.04487	8.1
123.08048	10.1
123.11734	8.3
125.09601	4.7
129.07019	14.1
131.08559	14.1
133.06480	4.1
133.10115	33.1
134.99605	3.8
135.11671	18.6
137.09618	8.3
140.07013	2.0
141.05507	2.0
142.07750	3.4
144.08054	4.3
145.96631	2.4
146.97447	3.4
146.99631	2.8
147.08017	4.8
147.11667	19.4
149.05975	5.4
149.09608	6.0
149.13229	3.9
151.03906	4.1
151.07535	3.9
151.11172	6.4
151.14810	6.0
155.08528	4.6
157.10109	18.4
163.97801	8.5
165.09088	2.5
165.12781	4.7
166.08656	2.7
167.07025	29.3
167.08426	3.0
168.07359	2.9
169.10112	6.5
175.11185	13.9
175.14832	20.1
179.07042	5.3
181.08595	3.3
181.98744	5.5
183.11636	1.9
184.09698	7.7
193.05060	1.9
193.08676	2.9
193.12201	35.6
193.15904	12.1
196.12410	2.4
197.04500	2.5
204.28410	1.7
205.98853	10.8
211.05937	3.9
211.08749	11.4
211.11073	4.0
211.13281	14.1
211.14848	6.5
211.16949	5.0
212.09142	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	211.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20621	1.2
53.91426	1.1
60.48015	1.2
65.00107	1.3
67.87817	1.2
71.57986	2.0
72.58202	1.3
89.36693	1.1
95.10291	1.2
108.04224	25.5
124.03697	100.0
152.03169	64.0
152.88509	1.1
155.47874	1.2
204.52965	1.4
211.08745	1.5
211.10512	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01857	10.9
55.05493	8.1
55.94613	6.2
56.94293	4.9
56.96559	23.5
57.03440	13.6
57.07053	4.1
58.06573	3.0
60.04502	4.2
61.02921	17.0
61.61229	2.5
67.05483	12.0
68.05004	6.2
68.12167	2.6
68.99752	4.1
69.03416	19.8
69.07056	8.1
69.85393	4.9
69.85818	10.8
70.06582	7.9
71.01330	3.3
71.04967	5.6
71.94090	3.5
72.04553	3.6
72.08147	4.5
72.93776	12.8
73.02905	36.0
73.95631	8.4
77.00871	4.9
79.05488	15.1
80.05000	7.3
81.03398	13.8
81.07032	13.9
82.06560	5.7
83.04966	7.1
83.06106	3.9
84.04446	3.8
84.08131	6.1
84.96011	2.6
85.02891	24.8
86.06039	3.9
89.95116	13.7
90.94814	19.7
91.02457	5.0
91.05464	17.5
93.07051	16.0
94.06546	4.5
95.04936	20.2
95.06069	3.0
95.08592	7.2
96.04469	7.0
96.08085	4.6
97.02870	23.5
97.06509	3.2
97.07598	3.4
98.06029	7.2
98.21381	5.8
98.97574	6.4
99.04429	6.7
101.00891	3.6
103.05457	12.0
103.96662	8.8
104.96349	6.2
105.00308	3.5
105.07043	15.9
106.06532	10.2
107.04958	14.5
107.06091	4.0
107.08590	4.8
107.96109	3.7
108.04460	4.5
108.08128	2.9
108.95852	10.3
109.02869	6.3
109.06497	11.2
109.07624	6.2
109.10140	7.2
110.01292	5.3
110.06029	3.1
111.02885	4.2
111.04451	3.3
111.08074	4.2
112.07606	4.3
112.96668	5.4
113.96389	13.8
115.02415	3.4
116.02173	3.5
116.98589	7.7
117.01874	9.3
119.01875	29.7
119.02666	7.1
119.04893	7.3
119.08563	6.3
120.01989	2.8
120.03439	2.7
120.08102	8.1
121.06496	19.4
121.97719	9.1
122.02134	8.1
122.06008	6.2
122.97401	8.4
123.04411	13.6
123.08086	4.2
123.09180	3.2
124.01865	3.5
124.07594	9.5
125.02636	36.7
125.52675	8.9
126.09134	4.3
127.03909	12.0
127.97896	5.7
128.02223	4.1
128.98547	4.2
130.01852	5.7
130.06494	8.0
130.97713	7.3
131.01826	18.6
131.02663	12.9
131.04909	9.4
131.97452	18.6
133.03468	14.2
133.06470	3.9
133.10159	3.3
134.05995	19.7
134.99643	11.6
135.04355	7.4
135.06787	7.8
135.11642	5.0
136.05153	7.3
136.07564	9.6
136.53442	4.8
137.02658	22.7
137.05971	14.7
137.06950	3.6
137.08183	6.9
137.09579	4.8
137.52750	5.1
139.02463	5.5
140.03221	3.7
140.07033	8.3
140.08133	3.7
143.02678	9.7
144.08076	4.6
145.02435	4.5
145.03461	14.5
145.96631	4.2
145.98973	12.8
146.03188	9.9
146.05965	4.0
146.99605	9.7
147.08035	3.8
147.09140	10.2
147.11751	3.6
148.07552	30.2
149.02901	8.0
149.05954	22.7
150.03073	4.3
150.05492	4.6
151.02368	9.6
151.07507	5.2
152.03236	8.8
152.05865	4.2
152.07047	51.3
153.05467	6.1
153.07797	5.6
157.03528	4.7
158.05943	3.6
160.02910	44.9
160.52942	5.8
161.02928	11.5
161.05965	4.8
163.04407	3.2
163.97681	24.7
164.07043	8.7
165.05414	10.3
166.02835	8.1
166.04915	3.1
166.08592	27.6
167.07060	8.5
168.06525	4.8
169.03410	8.5
169.07591	4.1
171.53743	4.5
173.02867	3.3
175.03427	4.5
175.08699	13.7
176.07014	31.7
177.02361	3.3
177.05434	5.0
179.07039	4.0
179.09273	3.2
181.98798	14.8
182.08072	8.1
183.06493	5.7
184.09665	25.9
185.02934	4.3
186.99197	3.6
187.95029	4.6
189.00670	3.3
190.98643	5.0
191.03996	17.8
193.07690	4.6
193.09659	33.3
193.15887	3.6
194.04408	11.0
194.08101	100.0
199.00861	5.5
201.02411	5.3
203.03925	3.9
205.96202	15.8
205.98761	30.2
208.99734	3.5
211.05997	6.0
211.08638	15.1
211.10617	63.5
212.09186	38.5
217.01923	10.8
219.03484	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	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.97753	0.6
52.62910	0.5
53.03929	1.7
53.36320	0.5
55.01860	1.5
55.05500	1.3
56.96577	0.6
57.03413	0.6
61.30989	0.5
62.20955	0.5
65.03931	1.6
66.04688	0.8
67.05496	5.4
67.31420	0.4
68.99763	1.3
69.07045	1.1
71.04980	1.0
71.23375	1.1
79.05487	5.5
81.03403	2.2
81.07042	1.7
83.04967	1.7
83.08593	0.9
85.02880	0.6
91.05470	7.6
93.03376	0.7
93.07044	3.6
95.04967	8.9
95.08584	2.3
97.06506	1.4
98.68393	0.5
103.05474	2.6
105.03412	0.6
105.07036	8.8
107.04944	1.7
107.08594	1.0
108.05717	0.9
109.02871	2.5
109.06528	1.4
109.10100	0.6
110.03648	2.0
111.04445	1.6
115.05415	0.8
117.58004	0.5
118.04153	2.6
119.04942	6.5
119.08562	3.3
121.02841	1.6
121.06495	2.6
121.10117	0.7
123.04416	51.8
123.08040	4.6
123.11692	0.9
124.04781	0.9
127.03926	0.8
133.06461	4.9
133.10112	1.0
135.04375	1.0
135.08051	1.1
136.05159	1.1
137.02319	2.2
137.05949	2.0
137.74666	0.7
147.04404	6.3
147.11720	0.9
149.05980	4.5
150.06717	2.7
151.03880	4.4
151.07526	26.3
157.10083	0.7
161.05940	0.7
161.07124	1.2
163.97823	0.8
165.01822	2.4
165.05524	0.6
165.09117	1.7
166.06239	1.0
167.07039	10.2
175.11125	0.6
179.07018	100.0
180.07434	2.5
181.08586	1.4
183.02858	2.2
183.06544	0.8
186.95160	0.5
193.08601	5.5
193.12259	1.5
205.98715	0.7
211.02364	3.8
211.09698	11.6
211.12933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02372	0.3
53.03931	1.0
55.01860	1.5
55.05506	1.7
56.96552	1.4
57.03424	0.7
60.92820	0.4
65.03923	0.6
67.05492	2.6
69.03420	1.1
69.07054	0.9
69.31345	1.0
69.31758	2.9
71.04977	0.7
78.04699	3.7
79.05042	0.5
79.05483	4.6
81.03412	2.0
81.07056	2.6
83.04958	1.8
83.08619	0.6
85.06538	2.1
91.04955	0.6
91.05476	8.1
93.03373	0.5
93.07037	4.6
93.67270	0.3
95.04960	5.4
95.08577	2.3
97.06496	0.6
98.97547	0.5
99.04414	0.5
103.05450	5.7
105.07023	7.5
106.04172	2.0
107.04968	2.3
107.08545	1.0
109.02859	0.8
109.06496	1.6
109.10143	1.6
110.03632	0.6
111.04418	0.8
113.06020	0.5
115.05415	0.8
116.98647	0.3
118.04128	2.0
119.04923	2.7
119.08576	0.9
120.05734	0.5
121.06490	7.2
121.10115	1.0
122.03667	0.5
123.04417	17.8
123.08064	1.2
123.11676	0.5
124.05210	3.4
125.06044	0.4
125.09574	0.5
129.07056	0.4
131.04948	0.4
131.08530	0.5
133.06480	5.3
133.10139	0.5
134.03680	0.6
134.99672	0.5
135.04407	1.1
135.11676	0.6
136.05249	0.4
137.05952	2.2
137.09573	0.7
147.04440	1.7
147.11690	0.7
149.05966	11.4
149.55203	0.3
150.06792	2.4
151.03905	2.7
151.07529	6.4
151.11179	0.4
152.04678	2.0
155.08539	0.8
161.05945	1.5
161.07114	0.4
163.97681	1.3
165.05473	0.9
165.09076	2.2
166.06215	2.4
167.07024	100.0
168.07413	1.9
169.10152	0.5
175.11096	0.5
175.14713	0.4
178.06215	0.4
179.07013	19.2
180.07704	0.7
181.08569	8.8
181.10144	0.5
184.09660	0.5
193.08606	7.8
193.12256	1.1
205.98827	0.8
211.07770	0.3
211.09656	3.1
211.13036	0.7
211.14856	0.8
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
53.03943	1.8
55.01872	3.7
55.05507	5.5
55.30418	0.5
55.59694	0.5
56.96556	1.0
57.03428	0.9
57.07067	1.4
59.04991	0.8
65.03946	2.1
67.05502	4.5
69.03425	2.2
69.07067	6.7
69.48862	4.5
71.04985	1.8
75.04473	1.3
78.04707	1.6
79.05482	6.7
81.03413	1.7
81.07059	8.6
83.04974	2.2
83.08614	3.2
85.02882	1.0
85.06547	1.9
85.68426	0.4
89.03912	1.4
91.05484	9.0
93.03393	3.5
93.07038	11.7
95.04964	60.6
95.08604	9.1
97.06511	4.4
99.04448	0.8
99.08093	0.9
103.05470	4.3
105.07028	6.2
106.04163	9.6
107.04955	1.8
107.08591	14.0
107.68830	0.4
109.06516	19.8
109.10155	3.1
111.04428	0.7
111.08067	1.8
113.05968	0.7
116.98531	0.6
117.03358	1.6
117.07034	1.0
117.95982	1.0
118.96774	0.5
119.01865	0.6
119.04935	0.7
119.08562	3.9
121.06493	11.9
121.10136	7.8
123.04398	0.9
123.08086	2.2
123.11678	2.3
123.82259	0.5
125.05972	3.1
125.09626	1.1
131.04924	1.6
131.08560	2.0
133.10118	2.0
134.03629	1.7
135.04454	1.4
135.08049	16.7
135.11670	3.5
135.96999	0.9
137.05984	1.3
137.09575	0.5
137.13252	0.9
139.07532	10.7
139.11130	0.5
145.02821	2.9
145.10138	2.4
147.04398	0.8
147.11674	9.0
148.05200	1.3
149.05983	13.1
149.09612	3.9
149.13258	3.0
151.11209	3.3
153.05470	1.5
153.09085	4.3
159.04404	0.8
162.96848	0.8
162.99112	0.6
163.03894	1.0
163.07518	1.4
163.11209	3.8
163.14827	1.7
165.12744	100.0
166.06256	0.8
166.13063	1.6
167.06993	0.5
173.13257	1.9
176.04674	0.7
177.05479	8.2
179.08533	0.6
181.08586	1.9
191.03362	0.6
191.06975	1.2
191.10666	1.8
191.14287	5.6
194.10785	0.5
209.04453	1.5
209.07993	2.4
209.09842	0.9
209.15349	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.95276	1.8
55.01869	1.8
55.05511	12.9
67.05499	7.5
69.03423	6.1
69.07056	2.2
69.62402	8.7
69.62827	4.3
79.05482	5.8
79.23354	1.7
81.07060	10.3
82.06587	2.3
83.04985	2.8
83.08611	5.8
91.05485	13.8
93.03411	2.1
93.07040	6.5
95.04959	4.9
95.08614	3.2
97.06552	2.7
98.21420	3.4
100.11247	8.0
101.71101	1.8
103.05437	2.2
105.07019	8.4
106.04169	5.0
107.04968	3.4
107.08578	22.4
107.75094	1.7
109.06524	11.9
109.10135	9.4
115.05463	2.1
117.07021	3.3
118.03271	1.8
119.08562	4.3
121.06530	9.5
121.10139	18.3
122.07276	8.9
123.08075	2.3
128.07079	2.4
131.08565	2.7
133.10126	100.0
134.10478	2.3
135.08066	17.0
135.11728	2.0
137.09608	93.3
147.11642	2.1
149.05983	7.2
149.13252	12.7
151.11273	1.9
173.13332	7.0
177.05464	4.9
181.08711	2.4
182.15417	6.1
191.14288	5.9
209.08110	4.1
209.15346	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	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.08507	0.9
53.03942	1.8
53.26661	0.9
55.05480	1.3
57.07048	2.9
57.34492	1.2
59.04976	1.6
67.05476	4.5
69.03139	0.8
69.03429	10.4
69.07043	4.8
69.52894	3.0
69.53320	6.1
71.04982	1.5
79.05466	4.0
81.03395	11.0
81.07052	11.2
83.04961	4.5
91.05446	4.4
93.07025	6.2
95.04954	8.2
95.08053	1.1
95.08600	13.0
96.37868	1.0
98.20831	2.3
105.07014	5.3
106.04143	1.0
107.08574	13.2
109.06507	12.2
115.05374	1.1
119.08583	7.7
119.46304	1.0
121.06480	3.4
121.10126	14.5
123.08044	12.6
123.11667	8.2
125.09528	1.6
131.08540	1.4
133.10028	2.2
135.08026	2.0
135.11684	2.6
137.09578	3.6
137.13206	2.6
143.08598	1.3
147.11649	3.4
149.09624	10.8
149.13216	7.0
151.11172	7.7
151.82208	1.1
165.12732	100.0
166.13153	1.1
179.86732	1.0
191.14259	2.8
209.15335	37.6
210.15407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.6
55.01880	1.5
55.05497	2.2
55.82635	1.5
56.46815	1.4
57.07049	2.1
65.03951	1.4
67.05486	3.9
69.03423	8.8
69.07057	3.9
71.11640	3.0
74.79113	1.7
79.05498	7.5
79.47611	1.5
81.07054	15.3
91.05469	13.6
93.07030	5.1
95.04967	4.7
95.08599	3.5
97.06499	1.7
105.07024	11.3
106.04175	2.7
107.04950	2.8
107.08583	24.2
109.06499	12.5
109.10140	8.5
115.05421	2.9
117.07037	3.6
119.08604	4.3
121.06515	5.9
121.10132	19.6
122.07300	7.0
123.08047	4.1
125.05999	1.8
131.08534	2.0
133.10115	100.0
135.08043	20.8
137.05890	1.7
137.09605	74.6
143.50877	1.4
147.11690	3.0
149.05910	3.0
149.09601	2.2
149.13223	15.1
151.11172	2.9
153.09137	1.5
173.13258	4.5
177.05608	2.0
181.08385	1.4
191.14317	5.1
209.15363	5.4
213.21678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	1.6
53.10837	0.6
54.80230	0.6
55.01849	2.8
55.05501	6.4
56.96550	1.1
57.03445	1.0
57.07071	3.4
59.04983	2.0
65.03948	1.5
67.05496	8.1
69.03423	10.9
69.06715	1.1
69.07060	15.3
69.84221	3.5
71.04987	8.3
77.03874	0.7
78.04721	0.7
79.05485	7.8
81.03418	1.5
81.07051	16.5
83.04974	11.9
83.08607	5.4
85.02890	1.0
85.12701	0.7
89.03909	0.9
91.05473	8.5
93.03351	1.2
93.07034	13.5
95.04957	6.5
95.08595	31.5
97.06533	8.5
97.10155	0.9
99.08088	3.7
103.05457	2.3
105.07031	10.5
106.04151	3.8
107.04943	2.0
107.08583	37.7
109.06503	11.4
109.10140	14.6
111.08072	4.1
113.09639	1.5
119.08575	5.4
121.06493	10.3
121.10130	30.9
122.07321	0.9
123.08053	5.5
123.11688	5.3
125.05939	1.2
125.09605	9.2
131.08560	6.5
133.10114	17.6
135.08028	16.8
135.11684	7.8
137.05974	0.8
137.09601	4.8
139.07521	1.5
139.11154	4.3
143.08568	2.4
145.10161	3.6
147.11671	8.4
149.05986	5.4
149.09613	11.5
149.13237	20.7
151.11166	100.0
152.11517	1.4
153.05571	0.7
153.09079	3.6
158.10916	3.2
163.11121	1.6
163.14807	11.3
165.12740	7.4
167.10648	1.4
173.13232	14.7
177.05476	2.5
191.14287	42.6
192.14757	0.7
209.04361	0.9
209.08066	1.5
209.13412	1.6
209.15318	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.63195	1.0
55.01863	1.7
55.05495	3.4
57.03412	1.5
57.07064	10.6
58.94256	1.1
59.04969	1.3
67.05498	9.6
69.03070	1.6
69.03422	20.8
69.07060	6.8
70.93638	2.7
71.04980	1.8
71.84041	1.1
74.25665	1.1
79.05477	8.5
81.07051	13.0
83.04967	17.2
83.08591	1.4
85.06541	9.5
85.06975	1.5
91.05481	8.8
93.07017	7.7
95.04932	2.0
95.08596	8.8
97.06513	3.4
105.06998	5.2
106.04163	2.4
107.08586	27.7
109.06496	10.9
109.10137	6.8
111.08057	8.8
117.06898	1.1
119.08570	4.6
121.06492	4.3
121.10133	14.0
121.10925	1.7
123.08056	6.6
123.11671	4.9
125.05945	1.7
125.09616	69.9
129.49976	1.3
131.08553	8.0
133.10132	10.4
135.08034	14.7
135.11668	4.7
136.08875	1.5
137.09627	1.7
139.07579	1.4
143.08531	2.4
145.10106	5.8
147.11667	5.0
149.09625	10.2
149.13237	12.8
150.10414	1.2
151.11159	9.4
153.09094	16.2
154.61488	1.1
158.10890	5.1
161.09567	1.5
163.11107	4.1
163.14845	6.9
165.12752	16.9
173.13246	21.3
176.11940	3.6
191.14287	100.0
192.14694	1.3
209.15350	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.27774	0.3
53.03935	1.4
55.01855	0.9
55.05504	3.0
57.03426	0.9
57.07069	2.5
59.04995	1.0
61.60859	0.3
65.03925	0.7
67.05492	4.6
69.03424	13.1
69.07059	4.1
70.16223	1.8
71.04971	1.4
78.04707	0.5
79.05489	3.2
81.03413	10.8
81.07050	9.1
83.04976	3.4
83.08627	1.1
85.02908	0.4
85.06564	0.4
91.05473	4.5
91.12792	0.4
93.03410	0.5
93.07041	4.8
95.04961	8.9
95.08598	9.5
97.06524	1.6
99.08077	1.3
103.05438	1.0
105.07021	5.8
106.04159	2.4
107.04935	0.4
107.08594	8.5
108.05742	0.5
109.06512	12.5
109.10165	2.0
109.60703	0.3
110.07314	0.4
111.08067	0.9
118.06411	0.3
119.08562	6.2
121.06490	3.9
121.10136	12.8
122.07247	0.6
123.07172	0.8
123.08064	11.4
123.11694	8.6
125.05993	0.8
125.09616	0.6
127.84126	0.4
131.08536	0.8
133.10136	1.1
135.08058	1.2
135.11678	1.1
136.08873	0.5
137.06001	0.4
137.09599	3.1
137.13252	2.7
145.10129	0.8
147.11655	3.8
148.05202	0.4
149.05956	3.2
149.09601	8.8
149.13251	7.5
151.11169	4.9
153.09166	0.7
158.10913	0.4
163.14828	0.9
165.12741	100.0
166.13087	1.1
173.13228	1.2
177.05435	1.6
181.08574	0.7
182.08127	0.3
191.14291	2.1
209.08125	0.7
209.15355	33.1
210.15604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.71680	0.9
53.03934	1.7
54.74381	0.8
55.05509	6.0
57.03413	0.8
57.07068	2.4
59.04997	2.1
65.03928	1.6
67.05499	8.6
69.03077	0.9
69.03428	11.6
69.07063	14.2
69.40913	4.1
69.41334	2.8
70.56098	0.7
71.04988	7.8
78.04734	1.1
79.05488	6.8
81.03438	1.1
81.06576	1.0
81.07050	12.7
83.04977	12.7
83.08612	5.5
91.05463	7.6
93.03391	1.1
93.07036	11.9
95.04976	5.6
95.08604	29.6
97.06517	7.0
99.04454	0.8
99.08083	2.9
103.05457	1.0
105.07013	8.5
106.04176	3.1
107.04941	1.5
107.08582	39.3
109.06519	12.3
109.10158	14.1
111.08069	3.6
113.09650	1.2
119.08563	5.0
121.06493	9.8
121.10137	34.2
121.11026	1.7
123.08070	6.4
123.11718	4.2
125.06001	1.0
125.09612	9.2
131.08568	6.4
133.10126	14.2
134.03653	0.9
135.08052	13.1
135.11717	7.1
136.08813	1.2
137.09576	3.5
139.07542	1.9
139.11153	3.8
143.08539	1.9
144.09328	1.0
145.10100	5.2
147.08055	1.1
147.11661	6.5
149.06027	3.8
149.09613	10.2
149.13245	16.3
151.11171	100.0
152.11461	1.1
153.09074	1.8
158.10876	5.1
163.11108	1.0
163.14819	7.7
165.12717	5.7
167.10655	1.6
173.13239	14.1
177.05475	1.6
191.14294	35.7
209.15326	8.3
217.05568	0.8
217.31961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.86091	1.2
53.03934	2.7
55.01867	6.9
55.05504	26.5
57.03111	1.3
57.03422	2.6
57.07053	3.5
59.04974	3.5
65.03925	1.4
67.05501	7.3
69.03423	7.4
69.07055	12.3
69.33168	13.0
71.04969	5.0
79.05468	6.4
81.03394	1.8
81.07051	11.5
83.01334	46.4
83.04970	13.4
83.08599	9.8
85.06527	6.0
91.05481	10.7
93.03403	3.4
93.07030	17.4
95.04957	22.9
95.08595	7.9
97.02911	1.6
97.06519	29.1
97.10160	2.4
99.04428	6.9
99.07478	2.0
99.08083	30.0
99.38187	1.2
101.06030	8.4
103.05426	2.8
105.07032	7.3
106.04170	6.5
107.04934	2.7
107.08580	26.5
109.06513	8.8
109.10137	10.8
111.04405	3.5
111.08075	17.1
119.08563	4.1
121.06478	10.6
121.10120	15.1
123.04453	1.2
123.08057	4.7
123.11684	4.5
125.06001	2.7
125.09612	29.7
126.06778	1.8
127.07536	3.0
129.73811	1.2
131.08537	3.8
133.10110	6.9
135.08022	12.2
135.11662	5.0
137.09595	8.9
139.07527	27.6
139.11145	14.1
143.08412	1.4
145.10103	2.5
147.11684	1.8
149.05984	9.1
149.09595	18.9
149.13251	5.7
151.11165	13.1
153.09091	24.3
154.09857	1.9
155.10677	3.3
158.10872	1.4
163.14844	6.6
165.12735	3.4
167.06989	1.6
167.10635	3.2
167.14232	2.6
173.13173	6.7
177.05435	2.8
181.08647	1.4
181.15842	11.9
191.14267	25.3
209.08029	2.9
209.15343	100.0
210.15770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	4.6
55.01867	14.1
55.05505	15.7
57.03412	4.1
57.07053	4.3
65.03920	5.7
67.05495	39.0
68.99781	1.9
69.03075	2.1
69.03422	32.4
69.07063	8.0
71.04988	10.9
71.32388	1.6
79.01830	2.3
79.05482	39.4
81.03398	3.3
81.07045	24.8
83.04558	1.2
83.04970	9.5
83.08598	2.9
85.02905	1.5
85.06525	11.2
85.89720	1.3
87.04453	1.6
89.03905	1.8
91.05468	35.5
93.03400	2.9
93.07030	68.8
95.04355	2.0
95.04959	36.8
95.08599	9.8
97.06516	11.7
99.04446	15.2
99.08092	1.4
101.05992	1.8
103.05430	3.9
105.07014	46.2
106.04143	4.1
106.07327	2.1
107.04955	10.5
107.08578	100.0
108.08915	2.1
109.06496	20.5
109.10126	1.8
111.04395	4.6
111.08054	1.9
113.05980	5.3
114.81525	1.2
115.03900	1.4
115.05441	2.6
117.03349	2.4
117.07009	10.2
119.04894	5.4
119.08563	24.0
121.02821	2.3
121.05579	1.2
121.06487	36.5
121.09307	2.0
121.10131	31.7
121.11011	1.7
123.04425	1.8
123.08044	6.2
123.11694	1.2
125.02323	1.8
125.05973	4.0
125.09634	2.0
128.06178	1.6
130.07759	5.1
131.05070	1.8
131.06023	11.1
131.08545	6.3
133.06448	2.1
133.10083	2.9
135.04434	5.8
135.08032	21.8
135.11670	25.0
137.05939	2.0
137.09579	1.5
139.03888	3.4
139.07483	2.8
143.08461	1.5
145.02872	1.8
145.10110	52.8
147.04338	3.0
147.07982	1.3
147.11646	3.7
148.05148	1.1
148.08786	1.4
149.02257	1.5
149.04895	1.9
149.05960	7.5
149.09598	17.3
149.13258	2.1
151.07538	3.4
151.11174	3.1
153.01836	3.4
153.05402	1.5
153.09064	3.1
163.03896	12.9
163.11157	92.8
164.11510	3.0
165.05438	1.6
167.07039	1.4
167.10632	2.1
172.75853	1.2
173.09586	9.0
173.13216	1.9
177.05423	5.2
181.01335	1.6
181.04958	2.2
181.12212	3.8
191.03375	24.8
191.10641	28.2
191.14275	5.2
209.00638	1.7
209.04590	15.8
209.07785	1.8
209.08392	2.1
209.10764	28.0
209.15240	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	209.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01867	14.1
55.05505	15.7
57.03412	4.1
57.07053	4.3
65.03920	5.7
67.05495	39.0
68.99781	1.9
69.03075	2.1
69.03422	32.4
69.07063	8.0
71.04988	10.9
71.32388	1.6
79.01830	2.3
79.05482	39.4
81.03398	3.3
81.07045	24.8
83.04558	1.2
83.04970	9.5
83.08598	2.9
85.02905	1.5
85.06525	11.2
85.89720	1.3
87.04453	1.6
89.03905	1.8
91.05468	35.5
93.03400	2.9
93.07030	68.8
95.04355	2.0
95.04959	36.8
95.08599	9.8
97.06516	11.7
99.04446	15.2
99.08092	1.4
101.05992	1.8
103.05430	3.9
105.07014	46.2
106.04143	4.1
106.07327	2.1
107.04955	10.5
107.08578	100.0
108.08915	2.1
109.06496	20.5
109.10126	1.8
111.04395	4.6
111.08054	1.9
113.05980	5.3
114.81525	1.2
115.03900	1.4
115.05441	2.6
117.03349	2.4
117.07009	10.2
119.04894	5.4
119.08563	24.0
121.02821	2.3
121.05579	1.2
121.06487	36.5
121.09307	2.0
121.10131	31.7
121.11011	1.7
123.04425	1.8
123.08044	6.2
123.11694	1.2
125.02323	1.8
125.05973	4.0
125.09634	2.0
128.06178	1.6
130.07759	5.1
131.05070	1.8
131.06023	11.1
131.08545	6.3
133.06448	2.1
133.10083	2.9
135.04434	5.8
135.08032	21.8
135.11670	25.0
137.05939	2.0
137.09579	1.5
139.03888	3.4
139.07483	2.8
143.08461	1.5
145.02872	1.8
145.10110	52.8
147.04338	3.0
147.07982	1.3
147.11646	3.7
148.05148	1.1
148.08786	1.4
149.02257	1.5
149.04895	1.9
149.05960	7.5
149.09598	17.3
149.13258	2.1
151.07538	3.4
151.11174	3.1
153.01836	3.4
153.05402	1.5
153.09064	3.1
163.03896	12.9
163.11157	92.8
164.11510	3.0
165.05438	1.6
167.07039	1.4
167.10632	2.1
172.75853	1.2
173.09586	9.0
173.13216	1.9
177.05423	5.2
181.01335	1.6
181.04958	2.2
181.12212	3.8
191.03375	24.8
191.10641	28.2
191.14275	5.2
209.00638	1.7
209.04590	15.8
209.07785	1.8
209.08392	2.1
209.10764	28.0
209.15240	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02362	0.9
53.03741	0.5
53.03942	7.1
53.83066	0.6
55.01850	1.8
55.05505	6.1
56.96553	0.8
59.04959	0.6
65.03926	2.1
67.05496	19.3
69.03454	0.9
69.07066	5.4
69.23347	0.6
70.15311	2.8
71.04980	2.3
73.06551	0.8
77.03907	1.9
79.05484	41.6
81.03429	1.2
81.07045	17.6
83.04963	2.8
83.08614	1.9
85.02888	1.1
85.06516	2.1
89.03948	0.6
91.05471	56.4
93.07034	100.0
94.07333	0.8
95.04958	17.3
95.08595	8.0
97.06511	1.4
105.04504	3.5
105.07021	24.4
107.04972	0.6
107.08583	9.5
109.06510	4.0
109.10130	1.0
112.79613	0.5
113.06017	0.7
115.96450	2.1
116.97232	1.1
117.07024	4.3
119.04920	3.0
119.08564	14.6
121.06460	2.7
121.10152	2.9
123.08063	4.4
124.90181	0.6
127.07577	1.0
128.06244	0.7
129.06992	9.0
131.08539	1.0
132.01971	0.6
133.06450	0.6
133.10098	5.2
133.97458	1.2
135.07956	0.8
137.09578	0.9
143.08548	3.9
145.10101	7.7
147.04425	3.0
147.08037	2.0
147.11671	49.3
148.12036	0.9
158.89513	0.5
161.09601	3.4
161.13234	6.9
163.11188	1.8
164.44843	0.7
165.09119	0.5
171.11685	17.2
173.43871	0.7
175.03911	2.6
189.12720	11.6
190.04938	1.4
192.04190	1.0
207.06520	1.6
207.13803	14.0
212.44118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03927	1.7
55.05507	6.5
57.03398	1.1
57.07079	4.9
59.04995	1.7
59.67747	1.0
65.03925	3.2
67.01872	0.8
67.05494	34.2
67.41798	0.8
68.99751	1.2
69.03415	5.8
69.07046	5.1
71.04971	1.8
78.89188	0.9
79.05488	7.3
81.07052	7.2
83.04961	4.1
83.08585	1.2
85.06534	9.8
91.05466	13.8
93.07036	15.4
95.04959	7.4
95.08595	100.0
96.08893	1.6
97.06501	2.6
103.05460	1.1
105.07018	19.6
107.08576	21.9
109.06493	4.8
109.10125	3.9
111.08044	1.7
111.98006	0.9
112.40040	0.9
113.06009	4.7
116.06174	0.9
117.06975	2.2
119.04918	2.7
119.08567	32.6
120.09295	1.2
121.06487	4.1
121.09302	1.6
121.10120	19.0
123.08050	68.2
123.11674	7.6
124.08401	1.0
129.07028	1.2
131.08554	5.9
133.06468	2.5
133.10110	6.4
135.08002	2.2
135.11646	1.7
137.09558	6.4
137.13242	2.0
139.07562	1.0
143.08551	1.5
145.06396	1.0
145.10091	2.3
146.07220	1.0
147.04350	1.7
147.08035	5.4
147.11668	14.4
149.09601	39.7
151.07509	3.1
151.14760	5.2
156.09311	2.1
159.07982	2.3
159.11765	1.6
160.08820	1.6
161.05978	1.2
161.09605	3.6
161.13243	22.8
163.11154	2.2
165.09076	1.2
165.12727	13.1
171.11659	3.9
174.10367	5.7
175.03914	2.5
179.14322	2.1
183.49980	0.9
189.12720	24.4
190.13043	1.2
206.80562	1.0
207.02765	1.7
207.06441	1.4
207.13779	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.21383	0.5
53.03946	2.4
55.01883	0.8
55.05508	14.9
59.05009	1.5
62.71149	0.5
65.03947	1.2
67.05515	1.4
69.03426	31.0
70.04780	0.5
71.05002	0.6
71.33791	1.2
78.85994	0.5
79.01862	0.9
79.05492	5.0
81.07053	1.9
83.04974	1.6
90.04759	0.5
91.05477	13.2
93.03404	0.9
93.07034	5.2
95.04953	3.3
95.08589	4.5
103.05462	2.2
105.07033	10.9
107.04954	5.1
107.08585	5.6
108.05740	1.4
109.06525	5.6
109.10139	0.6
115.05438	1.1
117.06978	2.0
119.04940	4.0
119.08578	7.0
120.09439	0.7
121.06501	74.6
121.10139	3.8
122.07156	0.5
123.08065	16.9
123.11662	0.6
128.06212	0.5
129.06995	0.7
130.07768	2.1
131.08589	1.3
132.02153	0.6
133.06490	35.5
133.10139	1.8
135.08052	9.1
135.11665	2.1
137.09621	1.0
141.91617	0.6
145.10114	3.2
147.04391	3.7
147.08034	1.8
147.11681	1.0
148.08788	1.8
149.02318	1.0
149.09625	2.5
151.07573	2.9
161.13242	1.2
163.11174	100.0
164.04729	1.3
164.11484	2.7
165.12790	1.5
171.11632	0.7
174.03085	0.7
174.10403	1.4
175.03897	2.9
179.06970	0.6
189.12726	5.7
192.04141	1.4
201.86967	0.5
207.06500	3.1
207.13786	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.66079	0.5
52.92939	0.5
54.22197	0.5
55.05503	1.4
59.04985	1.6
67.05495	1.5
67.64097	0.5
69.03428	4.4
69.07050	1.2
70.85732	0.9
70.86086	1.7
71.04977	2.3
79.05481	3.4
81.07056	3.4
83.04974	2.4
85.02895	0.6
91.03116	0.5
91.05471	9.5
93.07030	7.3
95.04970	1.8
95.08584	4.1
97.06512	1.0
101.19030	0.5
103.05454	0.6
105.07018	13.6
107.08574	8.7
109.06517	4.6
109.10104	0.9
117.06993	1.1
119.04937	5.6
119.08565	8.2
121.06492	5.0
121.10131	9.0
122.07262	0.6
123.08051	12.2
123.11684	2.1
129.06976	0.8
130.07765	0.6
131.08569	1.9
132.02026	0.7
133.06477	3.2
133.10097	2.5
135.04402	0.6
135.08057	0.8
137.09604	4.2
137.13208	1.2
143.08563	2.6
145.10139	2.8
147.04370	3.9
147.08031	2.3
147.11658	4.5
149.09602	100.0
150.09933	2.4
151.07501	2.1
156.09343	2.5
157.03986	0.7
159.07956	1.2
159.11656	0.8
160.08765	0.9
161.09586	1.2
161.13248	6.6
163.11165	7.2
165.12724	5.7
171.11652	5.1
174.10365	3.0
175.03871	3.7
179.07114	0.8
189.12723	20.6
190.13031	1.0
192.04109	0.7
207.06461	1.3
207.13783	48.6
208.13998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.86298	0.8
55.05497	2.2
59.04983	2.1
62.77634	0.8
65.03931	1.5
67.05489	1.7
69.03434	4.1
69.07081	2.1
70.59193	3.1
71.04980	3.3
74.54588	0.7
79.05471	2.7
80.32071	0.9
81.07051	4.9
83.04984	4.1
85.02887	1.8
91.05478	12.3
91.86628	1.0
93.07022	6.7
95.04942	2.7
95.08593	4.6
97.06532	1.4
99.58610	1.0
101.06014	1.5
101.63867	0.8
104.09917	0.8
105.03368	1.3
105.07027	14.1
107.04934	2.7
107.08586	12.0
109.06513	4.1
111.08031	0.9
117.06979	2.4
119.04945	11.2
119.08572	9.2
121.06488	5.2
121.10128	9.2
123.04289	0.9
123.08072	12.9
123.11694	3.4
128.06236	1.0
129.06973	1.4
130.07733	1.1
131.08554	1.9
132.02100	1.3
133.02791	1.5
133.06465	3.7
133.10118	2.8
137.09599	4.1
137.13213	1.4
143.08540	3.4
145.10103	9.5
147.04414	6.8
147.08043	5.3
147.11661	6.8
149.02289	1.1
149.09608	100.0
150.09930	2.1
151.03864	1.4
151.07524	2.5
156.09332	4.7
157.45995	1.0
159.07938	1.0
160.08833	3.2
161.02254	1.1
161.05981	3.6
161.09592	7.2
161.13229	6.4
163.03879	1.5
163.11163	36.1
165.12762	5.0
171.11674	9.8
174.10387	4.8
175.03909	7.3
179.03371	3.3
179.14241	1.6
183.82114	0.9
189.09108	1.1
189.12721	23.8
207.02884	24.5
207.06453	3.3
207.13786	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.07243	0.7
53.03947	2.3
55.05508	14.1
57.03467	0.8
59.04977	0.8
65.03953	1.7
67.05502	2.7
69.03425	30.9
69.07034	1.1
69.79715	3.8
73.34772	0.8
77.03925	0.9
79.01855	1.3
79.05490	5.4
80.56184	0.8
81.07041	3.1
83.04981	3.9
83.08584	1.0
85.06557	0.7
91.05474	18.4
93.03441	0.9
93.07046	6.4
95.04967	5.2
95.08599	4.4
97.06516	0.9
103.05463	3.0
105.07028	11.3
107.04943	4.9
107.08601	6.5
108.05679	0.7
109.06512	8.6
109.10175	0.8
115.05404	1.5
117.07019	3.2
119.04934	8.7
119.08582	8.6
121.06496	67.3
121.10113	4.4
123.08056	18.4
123.11704	1.3
129.06990	1.2
130.07756	2.7
131.08575	1.7
133.06487	30.0
133.10124	2.6
135.08043	8.5
135.11690	2.3
137.09599	2.6
140.71463	0.7
143.08542	1.3
145.10135	3.4
147.04404	6.7
147.08043	3.8
147.11664	2.6
148.08780	1.1
149.09616	7.4
151.07484	3.5
156.09383	0.9
161.05962	5.6
161.09628	2.2
161.13261	2.3
163.11168	100.0
164.04681	1.6
164.11542	1.5
165.12698	3.7
171.11696	2.0
174.10426	1.5
175.03894	7.0
179.03514	0.8
179.07010	1.3
189.09152	0.9
189.12721	7.5
192.04230	1.0
207.02896	3.3
207.06503	4.7
207.13788	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05511	7.0
57.07063	4.5
58.24926	1.1
65.03917	2.4
67.05499	36.3
69.03410	4.6
69.07057	3.6
69.78615	2.7
69.79026	4.0
71.04993	2.5
76.53109	1.2
79.05468	5.7
79.49349	1.0
81.07059	6.3
83.04960	3.3
85.06530	9.2
88.41955	1.2
91.05482	19.1
93.07038	14.8
95.04961	3.7
95.08597	100.0
96.08939	2.5
98.96619	1.0
105.07023	19.7
107.04916	1.9
107.08585	22.0
109.06528	7.5
109.10162	4.3
111.08071	1.7
113.06001	3.7
117.06992	2.0
119.04911	7.1
119.08570	30.5
121.06496	4.5
121.10134	17.7
123.08057	55.1
123.11678	9.1
125.09634	1.4
131.08556	6.2
132.30240	1.1
133.06442	2.3
133.10114	7.7
135.08002	1.6
135.11684	2.4
137.09581	4.4
137.13235	2.8
139.07538	1.4
139.11296	1.0
143.08575	2.2
145.10104	1.8
147.04382	4.5
147.08028	6.2
147.11676	11.3
149.09607	46.6
151.07562	1.4
151.14801	2.6
156.09282	3.4
159.08026	2.0
161.09569	1.8
161.13252	18.0
163.11171	2.4
165.09036	2.0
165.12732	10.9
171.11644	4.5
174.10385	4.6
175.03908	2.7
179.14238	1.5
189.12721	16.8
199.16798	1.2
207.06538	2.5
207.13806	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02385	0.6
53.00295	0.3
53.03938	0.4
54.91257	0.3
55.01863	1.4
55.05509	2.0
56.96560	0.5
57.03432	0.7
57.07072	1.0
59.04980	0.4
63.02363	0.5
64.03118	0.3
65.03930	3.5
66.04734	0.3
67.05498	4.1
69.03422	3.6
69.07068	1.9
69.59265	1.8
71.04984	1.4
76.03130	0.5
77.03931	1.0
79.05483	4.5
80.06260	0.5
81.03394	0.6
81.07045	3.6
83.04967	1.7
83.08607	0.6
85.02903	1.5
85.06538	1.1
89.03906	2.1
89.06019	0.9
90.04694	0.9
91.05471	41.1
92.05801	0.7
93.03386	0.6
93.07041	3.9
95.04961	4.0
95.08597	6.7
97.02872	0.6
97.06528	1.6
98.97575	0.4
99.04436	0.4
103.05440	2.6
105.03384	1.5
105.04523	0.5
105.07022	11.8
107.04944	3.7
107.08585	4.3
108.05736	0.6
109.06501	6.7
109.10146	1.2
111.04436	0.5
111.08067	3.9
113.05972	0.4
115.05445	1.0
116.06190	1.2
116.98653	0.3
117.03371	0.3
117.07001	1.5
118.04156	5.7
118.07806	0.3
119.04932	31.2
119.08569	10.4
119.09439	0.4
121.02846	1.0
121.06491	6.7
121.10133	3.8
122.03643	0.6
123.04430	1.6
123.08056	7.4
123.11698	1.4
125.05939	0.3
128.06198	3.6
129.03429	0.5
129.04488	0.4
129.06993	6.6
129.07903	0.5
130.07767	0.8
131.04918	7.2
131.08553	3.7
132.02066	2.4
132.05702	1.1
133.02831	1.5
133.06487	3.5
133.10112	4.1
134.03651	0.7
135.04416	1.4
135.08046	1.7
135.11700	0.8
136.05190	1.6
137.05954	1.4
137.09628	2.3
137.13222	0.5
139.07512	0.3
143.08565	1.1
144.05705	0.7
145.02832	0.5
145.06464	2.7
145.10126	2.1
146.03618	3.8
146.07256	6.3
147.04393	21.3
147.08037	3.0
147.11673	6.7
148.05179	5.2
148.08749	0.5
149.02325	4.7
149.05940	0.9
149.09607	9.4
150.03102	0.6
151.03883	1.0
151.07549	3.2
156.09335	1.2
157.03984	1.7
157.06488	2.0
158.07298	0.6
159.04372	0.5
159.08041	1.3
159.11670	0.7
160.08830	0.4
161.05962	100.0
161.09587	23.0
161.13206	3.5
162.03032	0.4
162.06351	1.6
162.09828	0.5
163.03944	1.5
163.07539	1.1
163.11168	5.9
164.04698	3.1
164.08255	0.7
165.05438	0.3
165.09103	2.4
165.12723	3.1
171.08009	0.7
171.11649	2.5
173.06009	0.3
174.03085	1.4
174.06740	3.8
174.10385	1.1
175.03893	25.6
176.04314	0.6
179.03395	2.5
179.07011	4.1
179.10579	0.4
179.14334	0.4
182.54080	0.3
189.09085	25.6
189.12689	11.3
190.04939	0.7
190.09502	0.4
192.04146	4.3
207.02896	6.5
207.06503	14.1
207.10063	3.0
207.13791	15.4
208.03406	0.3
208.06880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02382	0.5
53.03940	0.7
55.01862	1.7
55.05499	1.9
56.96557	0.6
57.03432	0.7
57.07070	1.3
59.04988	0.6
63.02367	0.4
65.03928	3.1
66.04701	0.4
67.05497	4.1
68.99762	0.3
69.03416	4.0
69.07052	1.9
69.59795	2.4
71.04994	1.4
76.03146	0.4
77.03927	1.3
79.05487	3.4
81.03404	0.9
81.07048	3.1
82.34023	0.3
83.04980	1.7
83.08604	0.5
85.02893	1.7
85.06515	1.5
89.03903	1.6
89.06025	1.0
90.04677	0.7
91.05472	40.1
92.05785	0.4
93.03399	0.6
93.07029	3.9
95.04960	3.4
95.08598	7.1
97.02855	0.4
97.06518	1.5
99.04428	0.3
103.05447	2.8
104.02630	0.3
104.06242	0.4
105.03402	1.0
105.04481	0.3
105.07022	11.2
107.04959	2.7
107.08588	3.9
108.05715	0.9
109.02870	0.4
109.06512	6.6
109.10138	1.4
111.04438	0.3
111.08058	3.0
115.05441	1.3
115.96430	0.3
116.06222	1.1
116.98608	0.5
117.06990	1.5
118.04143	5.3
118.07748	0.4
119.04933	31.9
119.08566	9.7
120.05246	0.5
121.02874	0.8
121.06502	7.0
121.10122	5.3
122.03593	0.4
122.07265	0.4
123.04413	1.3
123.08050	6.5
123.11684	1.2
125.09616	0.5
128.06224	3.4
129.03360	0.6
129.06987	7.4
130.07782	1.0
131.04906	5.9
131.08568	3.3
132.02045	2.1
132.05688	0.5
133.02820	1.7
133.06451	3.1
133.10114	5.0
134.03557	0.4
134.07283	0.4
134.99635	0.4
135.04437	1.5
135.08034	1.5
135.11682	0.8
136.05197	1.7
137.05966	1.3
137.09572	1.7
143.08548	1.5
144.05678	0.6
145.02812	0.6
145.06465	2.1
145.10121	2.4
146.03592	3.8
146.07259	5.8
147.04396	21.9
147.08058	2.8
147.11678	7.3
148.05193	5.0
148.08809	0.6
149.02322	4.1
149.05994	0.9
149.09604	8.6
150.03069	0.4
151.03839	0.9
151.07538	3.5
151.11108	0.3
151.14842	0.3
153.09070	0.6
156.09325	1.4
157.03983	2.2
157.06480	2.1
158.07243	0.9
159.04395	0.8
159.08035	1.2
159.11717	0.5
160.08873	0.4
161.05963	100.0
161.09593	24.2
161.13202	3.6
162.03087	0.4
162.06367	1.6
162.09944	0.5
163.03848	1.5
163.07533	1.5
163.11166	6.3
164.04654	3.6
164.08302	0.7
165.09094	2.8
165.12755	2.7
171.08014	0.5
171.11678	2.9
173.06035	0.3
174.03171	1.5
174.06732	3.3
174.10393	1.5
175.03889	23.4
176.04303	0.7
177.01842	0.5
179.03406	2.1
179.06998	3.9
179.10573	0.5
189.09093	26.7
189.12708	12.1
190.04964	0.6
190.09486	0.3
192.04124	4.6
207.02885	6.8
207.06502	13.0
207.10136	3.4
207.13771	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	207.1013
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.01591	0.2
51.02377	0.4
52.25727	0.2
53.00310	0.3
53.03940	0.4
53.66405	0.2
55.01865	0.5
55.05505	2.4
57.03437	0.4
57.07050	0.4
57.42878	0.2
59.04993	0.3
61.85398	0.2
63.02360	0.4
63.81735	0.2
64.81879	0.2
65.03927	2.3
67.05507	1.1
69.03419	4.9
69.07044	0.6
69.49526	1.9
71.04957	0.4
76.03120	0.3
77.03910	0.8
79.05470	2.2
81.03408	0.4
81.07055	1.1
83.04961	0.6
83.08602	0.4
85.02891	0.8
89.03898	1.5
90.04698	0.3
91.05465	34.6
92.05784	0.5
93.03365	0.4
93.07024	1.4
94.39711	0.2
95.04961	1.8
95.08611	1.6
97.06514	0.3
98.97585	0.3
99.04424	0.2
103.05448	2.5
104.06214	0.3
105.03369	0.5
105.04508	0.3
105.07015	8.1
107.04947	2.5
107.08590	2.1
108.05750	0.5
109.06503	1.7
109.10143	0.4
111.08070	0.3
115.05434	0.9
116.06209	0.9
116.98590	0.5
117.03395	0.2
117.06996	1.5
118.04131	4.3
118.07757	0.3
119.04922	27.2
119.08556	3.1
120.05182	0.3
121.02853	0.4
121.06484	10.5
121.10142	1.4
122.03611	0.4
123.04397	0.5
123.08047	3.5
123.11693	0.5
128.06224	2.5
129.03354	0.6
129.04395	0.3
129.06039	0.3
129.06987	5.9
130.07761	0.9
131.04904	6.0
131.08531	2.5
132.02045	2.0
132.05675	0.8
133.02798	1.0
133.06462	4.0
133.10129	1.2
134.03627	0.4
134.07219	0.3
135.04370	1.1
135.08058	1.3
135.11665	0.3
136.05145	1.0
137.05899	1.2
137.09596	0.9
143.08528	0.8
144.05653	1.2
145.02809	0.6
145.06471	2.1
145.10097	0.7
146.03604	3.0
146.06114	0.4
146.07237	5.5
147.04387	20.1
147.08031	2.1
147.11670	1.8
148.05182	5.1
149.02336	2.3
149.05966	0.5
149.09578	2.7
150.03069	0.4
151.07553	1.9
155.06049	0.4
156.09340	0.5
157.03946	1.6
157.05281	0.3
157.06473	2.1
158.07196	0.6
158.99530	0.3
159.04396	0.6
159.08005	1.1
160.08774	0.6
161.05954	100.0
161.09576	23.1
161.13240	0.8
162.03098	0.5
162.06306	1.0
163.03889	0.6
163.07497	1.9
163.11148	9.9
164.04691	1.1
164.08354	0.3
165.05496	0.3
165.09087	1.2
165.12691	0.7
171.07999	0.5
171.11638	0.8
173.05902	0.3
174.03076	0.4
174.06757	3.6
174.10370	0.3
175.03879	20.7
176.04163	0.3
177.00662	0.4
177.05434	0.5
177.09009	0.3
179.03403	0.3
179.06999	2.7
179.10591	0.3
180.07339	0.2
189.05437	0.7
189.09074	26.7
189.12634	2.3
190.04947	0.7
190.09395	0.6
192.04118	1.8
192.07774	0.3
207.02902	0.9
207.06491	8.3
207.10080	3.1
207.13779	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	207.1013
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02378	0.4
53.03939	0.6
55.01875	0.8
55.05494	1.5
58.03424	0.3
59.80901	0.3
63.02356	0.6
65.03938	2.5
65.04252	0.5
67.05498	1.6
68.99780	0.5
69.03423	2.3
69.07060	0.7
69.82033	1.9
71.04993	0.6
77.03923	1.5
79.05475	3.4
80.53324	0.3
81.03413	0.5
81.07053	1.2
83.04953	0.5
85.02895	0.4
86.17911	0.3
89.03904	3.2
90.04659	0.5
91.05466	29.7
92.05809	0.6
93.03386	0.4
93.07049	1.1
95.04953	3.2
95.08582	2.7
98.21423	0.5
99.04391	0.4
101.78193	0.3
103.05448	2.4
105.03373	3.2
105.06291	0.5
105.07011	8.0
107.04932	3.4
107.08558	3.0
109.06499	1.3
109.10181	0.9
115.05431	1.4
116.06218	1.4
117.03333	0.8
117.07002	1.9
118.03345	0.6
118.04134	5.3
118.07775	0.4
119.04924	21.5
119.08559	4.8
120.04449	0.4
121.02821	0.7
121.06466	3.9
121.10123	1.0
122.03602	0.6
123.04403	1.4
123.08045	2.6
123.11674	0.5
128.06190	2.8
129.03368	0.5
129.06993	6.3
130.07747	0.7
131.04909	6.8
131.08546	2.9
132.02036	1.0
132.05659	0.5
133.02815	4.8
133.06531	2.2
133.10110	2.6
135.04398	1.4
135.07976	0.8
136.05193	0.7
137.05994	0.7
137.09612	1.4
141.06898	0.5
141.39366	0.4
143.08496	0.6
144.05684	1.1
145.02814	1.0
145.06459	2.9
145.10080	0.8
146.03622	3.1
146.05405	0.5
146.07246	7.1
147.04385	15.7
147.08054	3.3
147.11668	3.9
148.05188	5.8
149.02306	2.3
149.06042	0.4
149.09593	3.6
150.03070	0.5
151.03856	4.9
151.07520	1.7
153.01854	0.5
156.09354	1.0
157.03958	1.3
157.06535	1.8
158.07210	0.9
159.04480	0.6
159.08025	1.3
159.11673	1.1
160.01703	0.4
160.05017	0.4
160.08810	0.9
161.02377	4.2
161.05954	100.0
161.09579	23.6
161.13206	3.1
162.03110	0.4
162.06303	1.2
163.03893	9.1
163.07526	1.0
163.11179	0.7
164.04642	1.5
165.09102	0.6
165.12688	0.9
171.11708	0.6
174.03146	0.9
174.06758	3.4
175.03877	19.7
179.03365	14.1
179.06908	2.4
189.01816	0.9
189.09077	23.0
189.12691	2.4
190.04974	0.8
192.04149	1.9
205.01305	0.6
207.02856	97.4
207.06482	7.3
207.10097	3.2
207.13768	6.8
207.17281	0.4
208.03239	3.0
208.83311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02385	0.5
53.03946	0.5
55.01867	0.8
55.05505	3.5
56.96572	0.4
57.03429	0.5
57.07069	0.5
59.05008	0.3
65.03937	3.3
67.05507	1.4
69.03423	8.6
69.07054	0.9
70.05477	1.4
71.04997	0.6
76.03161	0.4
77.03937	1.1
78.04718	0.4
79.05490	2.4
80.06251	0.4
81.07051	1.1
83.04998	1.3
83.08614	1.2
85.02904	0.9
89.03930	1.6
90.04704	0.8
91.05474	35.7
92.05821	0.6
93.07043	2.8
95.04958	2.4
95.08595	2.4
97.06530	0.3
98.97585	1.5
99.40556	0.3
103.05463	2.5
104.02580	0.4
105.03371	0.8
105.07025	9.2
107.04949	3.2
107.08574	3.3
108.05736	0.6
109.06480	1.3
109.10142	0.6
111.04452	0.3
111.08087	0.4
115.05463	1.2
116.06236	1.0
116.98612	0.9
117.03373	0.3
117.06995	1.4
118.04153	5.0
118.07777	0.4
119.04936	28.9
119.08572	4.5
120.04450	0.3
120.05219	0.3
121.02864	0.6
121.06496	15.5
121.10109	2.0
122.03661	0.4
123.04404	0.4
123.08057	4.5
123.11702	0.6
128.06209	1.9
129.03386	0.4
129.06992	6.3
130.07755	1.0
131.04915	6.0
131.08559	2.4
132.02063	2.2
132.05695	0.8
133.02823	0.9
133.06488	6.3
133.10136	2.0
134.03604	0.4
134.07277	0.4
134.99658	0.6
135.04393	1.5
135.08067	2.2
135.11694	0.4
136.05173	1.1
137.05969	1.7
137.09579	1.4
139.11156	0.3
143.08502	0.5
144.05678	1.0
145.02824	1.0
145.06473	2.5
145.10103	1.2
146.03595	3.2
146.07249	6.1
147.04401	22.3
147.08040	2.1
147.11678	2.2
148.05188	4.4
149.02335	2.4
149.05960	0.7
149.09587	3.8
150.03192	0.3
151.07545	1.8
156.09369	0.7
157.03949	1.8
157.06465	1.9
158.07236	0.3
158.99620	0.7
159.04396	0.7
159.08034	1.1
160.08769	0.5
161.05971	100.0
161.09593	22.7
161.13237	1.6
162.03165	0.4
162.06367	1.4
163.03914	0.6
163.07529	1.6
163.11171	17.1
164.04727	1.6
164.08257	0.4
165.09128	1.1
165.12740	1.2
171.11697	1.1
174.03128	0.5
174.06738	3.5
174.10355	0.4
175.03899	25.2
176.04294	0.5
177.00677	0.9
177.05412	0.4
178.02545	0.3
179.03317	0.4
179.07031	2.5
179.14279	0.3
189.05568	0.7
189.09093	27.7
189.12662	3.5
190.09467	0.7
192.04173	1.7
207.02850	1.2
207.06496	9.4
207.10168	3.2
207.13782	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	207.0649
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02357	0.7
53.03934	0.6
55.01857	0.8
62.53978	0.4
62.60560	0.4
63.02365	0.9
64.03168	0.5
65.03929	7.6
66.04696	0.8
66.07472	0.4
75.02396	0.5
76.03139	1.2
77.03929	2.7
79.05485	1.9
80.06271	1.2
83.99499	0.4
89.03910	5.3
90.04675	1.7
90.11682	0.5
91.05470	100.0
92.05814	1.5
93.03379	1.2
95.04971	1.1
101.03865	0.6
103.05460	2.3
104.02579	1.6
104.62857	0.5
105.03388	1.7
107.04943	2.0
108.05717	1.4
115.38194	0.5
117.03359	1.3
118.04150	3.3
119.04927	93.5
120.05240	0.9
121.02866	1.2
121.06492	0.5
122.03626	1.3
123.08078	0.9
129.03365	1.9
129.04402	1.0
131.04898	0.6
132.02068	8.5
133.02818	1.7
134.03627	1.1
135.04416	3.9
136.05180	2.9
145.02835	2.3
146.03575	1.6
147.04393	72.8
148.04729	1.6
149.02333	7.8
149.09613	0.7
150.03090	1.6
157.03949	7.0
160.01518	0.5
162.03114	1.0
163.03848	1.4
164.04646	4.0
174.03104	0.8
175.03886	78.0
176.04276	1.6
179.07028	7.4
192.04161	2.9
207.06502	22.8
207.13791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02385	0.4
53.03937	0.4
55.01863	0.7
55.05502	4.8
57.03434	0.4
57.07076	0.3
59.04990	0.6
63.02361	0.3
65.03934	2.7
67.05495	1.5
69.03422	9.2
69.07055	0.9
70.01688	0.6
70.02103	0.6
71.04978	0.5
72.06454	0.2
76.03147	0.3
77.03926	0.6
77.06373	0.2
78.04698	0.2
78.50006	0.2
79.01818	0.2
79.05485	2.2
80.06259	0.3
81.03413	0.3
81.07056	1.6
81.59409	0.2
83.04979	1.1
83.08621	1.2
85.02872	0.7
85.06518	0.3
89.03911	1.8
90.04701	0.6
91.05470	37.9
92.05808	0.8
93.03419	0.4
93.07033	2.2
94.04166	0.3
95.04966	2.0
95.08583	2.5
97.06554	0.3
98.21350	0.3
98.97560	1.8
101.06003	0.6
103.05453	3.0
104.06243	0.4
105.03365	0.6
105.04501	0.3
105.07022	9.5
107.04934	2.9
107.08577	5.7
108.05726	0.6
109.06521	2.2
109.10141	0.6
111.04411	0.4
111.08114	0.3
115.05450	1.1
116.06215	1.0
116.98612	1.4
117.07038	1.6
118.04147	4.1
118.07759	0.3
119.04929	30.2
119.08560	4.7
120.04484	0.3
120.05235	0.4
121.02859	0.6
121.06490	14.7
121.10103	1.9
122.03628	0.5
123.04408	0.9
123.08059	4.8
123.11681	0.6
124.62022	0.2
125.90008	0.3
128.06206	2.6
129.03372	0.5
129.04460	0.4
129.06990	6.5
130.07802	1.1
131.04907	6.8
131.08545	2.4
132.02051	2.3
132.05690	0.6
133.02835	1.1
133.06476	6.6
133.07372	0.2
133.10117	2.2
134.03625	0.5
134.07274	0.3
134.99641	0.5
135.04443	1.2
135.08043	2.1
135.11685	0.4
136.05174	0.9
137.05963	1.5
137.09621	1.2
137.13231	0.3
139.11189	0.8
143.08560	0.6
144.05682	0.8
145.02815	0.6
145.06482	2.2
145.10118	1.4
146.03624	2.8
146.07251	5.8
147.04393	22.4
147.08006	1.9
147.11688	2.3
148.05193	4.8
149.02309	2.5
149.05896	0.8
149.09599	3.8
150.03070	0.4
151.07518	2.6
156.09303	0.8
157.03944	2.0
157.06479	1.9
158.07225	0.8
158.99686	0.7
159.04375	0.5
159.08052	0.9
160.08795	0.5
161.05962	100.0
161.09583	21.4
161.13185	1.7
162.03098	0.4
162.06361	1.8
163.03972	0.5
163.07549	1.9
163.11162	16.6
164.04709	1.6
165.09094	0.7
165.12717	1.1
171.11679	1.1
173.05939	0.4
174.03119	0.8
174.06769	3.2
174.10298	0.4
175.03888	26.7
176.04285	0.6
177.00653	1.5
177.05464	0.4
177.09023	0.3
178.02560	0.5
179.03342	0.4
179.07013	3.4
179.10626	0.2
179.14264	0.4
189.09088	27.8
189.12648	3.4
190.04901	0.7
192.04164	1.9
207.03014	1.1
207.06503	9.4
207.10153	3.5
207.13774	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	207.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.8
55.01872	49.3
55.05506	10.3
56.96558	29.4
57.03440	82.0
57.07066	10.5
60.40043	5.5
60.64342	5.8
61.02913	23.3
65.03951	6.5
67.05501	23.7
68.05020	5.7
69.03419	33.5
69.07059	14.6
71.01352	39.4
71.04984	18.2
71.34821	13.7
73.02911	52.4
79.05484	17.5
81.03400	8.9
81.07050	29.3
83.01341	20.8
83.04968	17.0
85.02890	51.3
87.04460	39.3
89.02382	8.8
89.86348	6.9
91.05482	43.0
93.07046	20.2
95.01324	11.5
95.05000	13.6
95.08597	29.6
97.02903	21.2
98.97607	18.1
99.00790	30.3
101.02372	100.0
103.03945	15.9
105.07029	32.6
107.04957	7.7
107.08592	26.7
109.02856	6.0
109.06483	7.2
109.10150	9.8
110.01264	8.4
111.00817	13.0
111.04477	13.1
115.03922	92.9
116.04308	6.5
116.98622	16.3
117.07063	7.6
118.03223	13.9
119.01829	26.3
119.04958	26.0
119.08588	23.3
120.04477	25.4
121.10144	18.7
123.04445	6.2
123.08067	23.9
123.11725	13.8
125.07925	6.2
126.09070	6.3
127.03961	8.0
128.02313	22.3
128.98631	10.3
129.01807	48.4
131.01791	9.5
131.03412	20.2
133.06546	7.4
133.10161	11.6
134.05971	12.0
134.99648	16.8
135.03217	6.3
137.02913	10.2
137.07074	16.7
137.09618	24.1
143.03366	32.3
146.99608	14.2
147.02928	33.3
147.04366	24.7
147.08057	6.6
147.11703	19.0
149.09610	14.8
151.07552	8.7
157.01323	64.4
159.02870	7.8
161.03139	8.9
161.04515	17.7
161.05907	11.3
161.07147	12.7
161.13240	19.2
162.05534	10.5
165.12695	9.1
175.02469	15.0
175.03986	21.8
177.00668	10.9
179.08223	16.5
179.95520	6.8
184.04625	9.9
185.02954	19.5
189.00761	10.2
189.03926	11.7
189.06726	12.8
189.09114	8.5
189.12723	13.3
190.04970	74.7
192.04239	10.7
194.57751	6.4
194.89639	6.5
201.00763	8.1
203.03934	10.2
207.06508	23.5
207.10068	19.2
207.13817	42.4
207.17395	12.8
208.04601	13.2
219.01791	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	207.0287
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02378	0.7
53.03929	1.0
55.01860	0.5
55.05500	0.6
56.96555	0.5
65.03931	2.1
67.05493	2.4
68.99780	0.3
69.03416	0.8
69.07054	0.7
69.47560	1.8
71.04979	0.5
76.03152	0.2
77.03923	4.1
78.04701	0.2
78.63968	0.2
79.05480	1.3
80.06268	0.3
81.03412	0.5
81.07050	1.3
83.04967	1.0
85.02861	0.2
86.71092	0.2
89.03913	2.3
90.04694	0.3
90.97118	0.2
91.05474	17.8
93.03403	0.3
93.07033	1.0
95.04958	4.4
95.08602	1.7
97.02901	0.3
97.06507	0.3
98.97562	0.7
103.05460	0.9
105.03382	9.7
105.04447	0.4
105.07018	1.9
107.04933	0.7
107.08585	1.4
108.05698	0.7
109.06503	0.9
109.10143	0.6
115.96426	0.3
116.98608	0.6
117.03380	0.7
117.07005	0.4
118.04147	1.2
119.04935	17.3
119.08571	1.5
121.02859	0.7
121.06513	1.1
121.10125	1.0
122.03609	0.3
123.04424	6.1
123.08044	1.3
123.11712	0.6
128.06172	0.2
129.03284	0.3
131.04944	0.4
131.08586	0.3
132.02071	1.1
133.02844	15.4
133.06487	1.1
133.10098	0.5
134.99646	0.4
135.04398	2.5
135.11650	0.3
136.05196	1.3
137.05940	0.4
137.09596	0.3
143.04805	0.3
143.08549	0.4
145.02821	0.5
145.06349	0.2
145.10139	0.5
146.03601	1.3
147.04402	13.4
147.08020	0.5
147.11674	0.9
149.02353	3.7
149.05922	0.6
149.09573	1.2
151.03891	36.9
151.07495	1.7
152.04242	0.5
156.09352	0.3
157.03995	0.8
161.02296	1.5
161.05972	3.0
161.09586	1.1
161.13281	1.2
162.03069	0.3
163.03922	1.1
163.11159	1.7
164.04689	4.1
165.05510	0.3
165.12724	0.4
171.11632	0.4
174.03136	1.3
175.03902	12.6
177.05466	0.4
179.03381	100.0
180.03732	1.2
189.05460	1.3
189.09109	0.3
189.12755	0.9
190.04955	0.3
192.04129	2.9
207.02884	21.9
207.06480	11.6
207.13814	2.1
207.17216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0285
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02375	0.8
53.03934	1.1
55.01860	0.7
55.05501	0.7
56.96556	0.7
63.02367	0.3
64.93358	0.3
65.03930	1.3
67.05499	2.1
69.03419	0.7
69.07053	0.6
71.04982	0.5
71.59538	0.4
75.14492	0.2
77.03918	4.4
79.05476	1.1
81.03408	0.4
81.07030	1.6
83.04975	0.4
85.02898	0.3
85.06522	0.3
85.53032	0.2
89.03895	1.9
90.04716	0.2
91.05471	11.8
93.07035	1.1
95.04956	4.0
95.08596	2.1
97.06497	0.4
98.97553	1.2
102.96798	0.3
103.05444	0.5
104.02560	0.3
105.03379	11.9
105.04512	0.7
105.07014	2.1
107.04935	0.8
107.08582	1.0
108.05683	0.3
108.69669	0.2
109.06493	0.9
109.10146	0.6
115.05453	0.7
116.98599	0.8
117.03352	1.1
118.04150	0.8
119.04929	11.0
119.08581	1.4
120.02041	0.3
120.97899	0.3
121.02889	0.3
121.06483	0.6
121.10110	0.9
121.67959	0.3
122.03664	0.4
123.04414	7.1
123.05319	0.4
123.08097	1.6
123.11691	0.4
125.06025	0.3
131.04839	0.4
132.02060	0.9
133.02835	17.2
133.06454	1.0
133.10104	1.0
134.99690	0.4
135.04398	1.9
135.08003	0.3
135.11668	0.4
136.05157	0.9
137.05952	0.6
137.09607	1.0
139.03824	0.3
146.03603	0.9
147.04391	7.7
147.08003	0.4
147.11650	1.0
149.02333	2.5
149.09598	1.0
149.83588	0.3
151.03885	40.6
151.07425	1.4
151.11107	0.3
152.04265	0.4
156.09319	0.3
157.03949	0.5
161.02307	1.4
161.05968	4.5
161.09598	0.8
161.13205	0.6
163.03850	0.4
163.11099	0.5
164.04665	2.2
165.09145	0.4
165.12720	0.7
174.03093	0.7
175.03876	7.9
179.03372	100.0
180.03731	0.9
183.29482	0.2
189.05437	1.1
189.09004	0.5
189.12790	0.8
190.04871	0.5
192.04137	1.7
207.02866	20.9
207.06450	6.1
207.13777	3.0
208.03110	0.3
208.34250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0286
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02383	0.3
53.03938	0.5
55.01871	0.4
55.05518	0.7
57.03441	0.2
60.04556	0.1
63.02374	0.3
65.03931	1.4
67.05496	1.2
68.99787	0.3
69.03414	0.7
69.07047	0.2
71.04984	0.2
71.34512	0.2
71.34831	0.2
76.03159	0.2
77.03913	1.1
79.05482	1.9
81.03434	0.3
81.07040	0.5
83.04976	0.3
85.02898	0.5
89.03907	2.6
90.04719	0.2
91.05471	15.0
93.03407	0.2
93.07053	0.9
95.04958	1.8
95.08592	1.1
97.06499	0.2
103.05452	0.9
104.06210	0.2
105.03382	2.8
105.04472	0.2
105.06422	0.1
105.07021	3.0
107.01344	0.2
107.04945	1.8
107.08598	1.1
108.05719	0.3
109.02861	0.3
109.06489	0.7
109.10145	0.5
111.04442	0.1
115.05436	0.6
116.06232	0.5
117.03353	1.0
117.06998	0.7
118.04148	2.2
118.07796	0.2
119.04931	10.9
119.08574	2.1
120.04415	0.2
121.02851	0.4
121.06499	1.8
121.10108	0.8
122.07172	0.1
123.04417	1.3
123.08061	1.2
123.11660	0.4
128.06197	1.4
129.06987	2.3
130.07803	0.3
131.04913	3.1
131.08556	1.3
132.02046	0.8
132.05663	0.2
133.02834	4.1
133.06465	0.8
133.10144	0.8
134.03601	0.3
135.04410	0.9
135.08049	0.3
136.05235	0.3
137.02347	0.2
137.05969	0.3
137.09607	0.4
143.01260	0.2
143.04886	0.2
143.08580	0.3
144.05688	0.4
145.02855	0.9
145.03816	0.2
145.06471	1.1
145.10107	0.3
146.03606	1.4
146.07259	2.6
147.04391	8.5
147.08040	1.1
147.11679	1.5
148.05179	1.7
149.02333	1.2
149.05978	0.1
149.09595	2.7
150.03087	0.2
151.03889	5.6
151.05116	0.3
151.07504	0.7
153.01805	0.3
156.09311	0.3
157.03993	0.7
157.06454	0.9
158.07225	0.2
159.04407	0.5
159.08011	0.3
159.11678	0.4
160.08881	0.2
161.02332	4.9
161.05963	36.2
161.09592	7.7
161.13181	0.8
162.03053	0.5
163.03893	9.5
163.07545	0.4
163.11176	0.5
164.04636	0.7
165.01843	0.3
165.05490	0.3
165.09100	0.3
165.12794	0.8
171.11707	0.5
174.03058	0.4
174.06723	1.1
174.10286	0.2
175.03889	9.4
178.02559	0.3
179.03374	13.0
179.06865	1.3
186.38776	0.1
189.01823	1.3
189.09084	7.4
189.12689	1.5
190.04955	0.3
192.04158	1.0
205.01314	1.1
207.02863	100.0
207.06439	4.0
207.10100	1.5
207.13768	3.1
208.03194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
51.35579	0.2
56.05036	0.3
56.40914	0.2
56.96552	0.9
57.98234	0.2
60.04515	0.5
66.56081	0.2
68.05016	0.3
69.73368	1.4
74.53745	0.2
78.47112	0.2
81.03416	0.3
84.08118	0.3
85.02889	0.4
91.05455	0.4
95.04944	0.4
96.04431	0.3
97.02870	0.6
98.97633	0.3
104.04966	0.5
105.03364	1.5
108.04511	0.2
109.02893	0.2
111.75590	0.2
114.05579	0.3
116.98592	0.3
119.04904	0.3
129.34277	0.2
132.04416	2.0
133.02812	0.5
134.99620	0.4
144.10210	0.3
150.02628	0.3
150.05498	3.1
151.03877	0.5
152.38237	0.2
153.01828	0.4
160.03816	0.5
160.11096	0.3
161.11931	0.3
173.01180	0.3
175.03943	0.3
178.04968	100.0
179.05371	1.1
182.99637	0.2
184.86115	0.2
189.11234	0.5
191.14259	0.6
201.00653	0.9
206.04459	38.1
206.11784	3.5
206.13808	0.4
207.04721	0.5
219.01770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0285
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02367	0.3
53.03924	0.6
55.01860	0.4
55.05490	0.6
57.07062	0.3
59.87859	0.2
61.85046	0.2
63.02350	0.3
65.03931	1.9
67.05499	2.2
68.99783	0.2
69.03427	0.9
69.07051	0.2
70.06576	0.2
70.61862	0.6
71.04981	0.3
77.03906	1.4
79.05483	1.4
81.03389	0.5
81.07036	0.6
83.04941	0.3
85.06524	0.3
89.03899	2.4
90.04664	0.2
91.05470	16.9
93.03367	0.2
93.07037	1.2
95.04966	2.2
95.08596	5.3
103.05426	0.6
104.02597	0.2
105.03391	2.9
105.07029	2.0
107.01275	0.3
107.04967	1.2
107.08569	1.4
108.05701	0.2
109.02824	0.2
109.06516	0.8
109.10134	0.5
111.04487	0.2
111.08101	0.2
113.05956	0.2
115.05366	0.2
115.96487	0.2
117.03368	1.1
117.06973	0.2
118.04166	1.1
119.04928	13.9
119.08561	2.5
121.02821	0.5
121.06509	0.8
121.10142	1.2
122.03614	0.4
123.04407	1.6
123.08053	3.9
123.11675	0.7
128.06216	0.2
129.03387	0.2
129.06976	0.3
131.04892	0.3
131.08583	0.5
132.02031	1.1
133.02838	5.1
133.06471	0.4
133.10071	0.6
135.04382	1.6
135.08044	0.2
135.11707	0.3
136.05170	0.6
137.05923	0.3
137.09662	0.8
137.13257	0.2
143.08559	0.3
145.02837	0.8
145.10120	0.4
146.03622	0.6
146.07324	0.2
147.04395	11.4
147.08038	0.8
147.11653	1.8
149.02327	1.9
149.09593	3.2
150.03101	0.4
151.03888	6.9
151.07507	0.5
151.14771	0.3
153.01794	0.5
156.09282	0.2
157.03970	1.0
159.04393	0.3
161.02327	4.4
161.04720	0.2
161.06017	1.4
161.09579	0.7
161.13249	1.6
162.03027	0.4
163.03896	9.2
163.11153	0.4
164.04735	1.0
165.01759	0.3
165.05492	0.3
165.09065	0.2
165.12648	0.8
171.11687	0.4
174.03114	0.4
174.06711	0.2
174.10359	0.6
175.03885	12.9
177.01839	0.4
179.03377	17.3
179.14320	0.2
189.01852	0.9
189.09067	0.5
189.12686	2.1
192.02441	0.2
192.04166	3.1
205.01251	1.1
207.02863	100.0
207.06464	5.6
207.13774	3.2
208.03172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93529	4.4
56.96554	2.1
70.30045	2.5
71.92995	3.9
72.12769	0.6
72.43732	0.7
72.93782	56.1
76.34467	0.6
89.94028	3.0
90.94815	11.8
99.94839	2.2
107.95085	1.4
108.95837	1.6
109.29362	0.6
113.96391	100.0
115.94327	1.6
122.96447	1.0
125.96091	1.1
131.97426	100.0
132.97757	0.9
133.95335	3.5
133.97908	0.8
149.98494	2.4
154.99013	22.5
155.00299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0969
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.03945	0.8
53.08233	0.6
53.98746	0.6
56.96545	0.9
57.07063	1.7
60.04510	4.3
61.04850	1.2
66.90867	0.7
68.05006	0.8
69.03403	2.0
69.05339	1.0
69.07012	0.8
71.04963	1.0
71.33143	1.2
71.33484	1.1
72.08126	0.7
73.02897	0.6
74.02420	1.8
79.05499	1.2
81.03408	1.8
84.04481	1.4
85.02884	1.3
85.04815	1.5
91.05471	2.7
92.13422	0.7
93.07037	1.5
96.04477	1.7
96.70267	0.7
97.02859	4.0
97.04811	1.9
98.03217	1.7
99.04456	1.5
103.05457	0.8
104.46140	0.8
105.07024	1.2
109.02863	1.4
114.05476	1.2
115.05430	2.3
117.05704	1.1
117.07002	4.0
118.06528	44.6
121.02847	1.2
121.06490	2.2
127.03899	0.9
127.05837	2.6
130.06540	3.3
130.07422	0.7
131.08565	1.0
132.08063	11.2
133.10109	0.7
142.06494	5.1
143.07277	6.3
144.04413	1.1
144.08064	21.0
145.06509	0.7
145.08453	0.8
145.10101	0.9
146.05988	100.0
147.06360	1.6
149.02328	7.6
155.06091	0.9
159.07962	0.9
159.09167	10.7
159.11749	1.0
160.07567	3.3
163.11214	1.3
163.30156	0.7
169.06874	1.2
170.05984	7.4
177.12686	1.0
181.55397	0.7
181.97789	0.8
188.07037	84.8
189.07332	1.7
205.08904	3.8
205.12183	2.5
208.08499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.92793	0.3
53.03927	1.0
55.05504	4.0
56.96559	0.9
57.07070	9.7
60.04517	0.5
61.02898	0.4
65.03935	7.2
67.05498	4.3
69.07062	7.5
71.08617	0.4
72.93764	1.5
79.05483	5.4
81.03458	0.5
81.07051	16.5
83.08619	5.3
84.04493	1.0
85.02921	0.6
85.04823	1.1
86.03254	0.6
91.05450	3.0
93.03384	2.7
93.07036	20.9
95.04959	1.1
95.08598	10.5
96.08930	0.4
97.02878	2.4
97.04823	0.6
97.10155	2.3
98.03203	0.9
105.07027	2.5
107.08586	16.5
109.02853	0.9
109.06474	0.7
109.10143	9.6
111.04449	2.0
111.11705	0.5
113.96411	3.6
114.05505	1.0
117.07010	0.5
119.08588	0.7
121.02862	14.6
121.03963	2.0
121.06492	1.3
121.10133	32.6
122.10480	0.5
123.11702	5.0
127.05847	1.5
131.97421	4.3
133.10126	0.6
135.11685	9.9
137.13245	0.6
145.10126	0.6
149.02330	100.0
149.13243	20.6
150.02672	4.1
150.13553	0.7
154.99017	1.3
158.93672	0.4
160.07617	0.9
163.11142	0.8
163.14836	1.5
167.03448	3.2
175.11005	0.4
187.11110	0.4
190.05077	0.8
191.14307	6.0
205.05017	0.5
205.08887	1.7
205.12234	1.9
205.14215	1.0
205.19496	9.8
206.08147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03933	1.7
55.05501	9.9
56.05020	0.9
57.03416	1.1
57.07065	1.6
60.04524	5.4
65.03947	0.8
67.05500	24.2
68.05019	2.6
69.03426	0.9
69.07062	9.6
69.35368	7.0
71.61266	0.6
77.03899	0.9
77.62183	0.6
79.05490	10.1
81.07052	51.7
83.08621	3.1
84.04496	7.4
84.08148	0.9
85.02873	1.4
91.05477	15.8
93.06463	1.4
93.07040	25.7
95.04959	1.9
95.08600	75.1
96.04493	4.0
96.08938	0.8
97.02910	5.1
97.10172	1.4
98.06049	0.8
100.02473	0.9
105.07024	44.4
106.07358	0.6
107.08588	46.6
109.06504	1.6
109.10149	49.6
110.05997	1.0
112.11255	1.0
114.05518	4.9
117.06990	2.6
118.03516	0.8
118.54317	0.7
119.08572	38.2
121.10131	15.6
123.11706	8.1
126.05507	7.8
129.06996	1.1
131.08542	2.8
133.10118	30.2
135.11684	5.3
138.05508	1.1
142.07751	0.9
143.08554	1.3
144.06561	1.4
145.10098	5.4
147.11681	59.3
148.12398	1.0
157.10121	1.1
159.11690	2.5
160.12442	1.3
161.13243	18.6
174.13925	1.1
175.07539	0.7
175.14799	8.1
185.09595	0.8
185.13219	1.5
185.93068	0.7
186.07542	1.2
201.16322	0.8
203.05183	0.9
203.06947	1.3
203.10664	1.5
203.14272	3.2
203.17940	100.0
204.08661	5.0
204.13907	1.6
204.18274	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03928	1.4
55.05507	8.1
57.07064	1.0
58.19658	0.9
60.04520	2.3
67.05167	1.4
67.05499	19.6
69.07072	7.9
69.34007	9.9
72.49329	1.0
73.95180	1.0
79.05488	7.9
81.07048	39.0
83.08583	2.7
84.04475	3.7
84.24821	1.0
91.05477	12.9
92.76038	0.9
93.07029	19.2
95.08595	66.3
96.04482	1.6
97.02904	1.8
105.07019	41.1
107.08582	36.2
109.06498	1.4
109.10143	41.7
114.05489	1.6
117.06970	1.1
119.08569	33.9
121.10137	15.8
123.11683	8.4
126.05500	4.9
131.08524	2.7
133.10112	27.8
135.11696	2.8
145.10118	2.6
147.11671	52.7
159.11728	2.4
161.11964	1.6
161.13239	17.4
167.15604	0.9
175.14870	7.8
194.52525	0.9
203.17932	100.0
204.08723	1.1
204.18224	2.5
220.52835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03933	2.4
55.05510	9.5
56.05017	2.1
57.07071	5.4
60.04519	11.8
61.02918	1.8
67.05499	15.9
68.05026	9.8
69.07069	14.7
69.07618	1.2
69.55997	9.5
79.05476	10.1
81.03417	2.8
81.07049	37.4
83.08588	3.7
84.04032	2.0
84.04498	30.2
85.02871	5.8
91.05465	23.5
93.07046	18.6
95.04923	1.4
95.08601	48.8
96.04485	14.9
97.02879	18.3
97.10242	1.1
98.06042	3.3
99.04424	1.9
100.02468	3.5
105.07021	100.0
107.08581	26.7
108.04488	1.7
109.02863	1.5
109.10147	38.4
110.06030	3.3
110.74126	1.0
114.05521	15.3
117.06980	1.8
118.03481	3.8
119.08568	55.3
120.96472	2.2
121.10139	17.2
123.11727	5.6
126.05507	34.4
127.03894	2.4
128.06981	1.1
131.08546	4.1
133.10115	43.6
134.42816	1.1
135.11656	4.6
138.05478	3.8
144.06548	7.0
145.04958	1.4
145.10098	6.5
147.11674	73.7
148.12096	1.2
153.58446	1.2
156.06552	1.2
157.10127	1.6
159.11661	3.4
160.12489	4.0
160.23282	1.1
161.13249	26.4
168.06522	4.2
174.14052	1.2
175.14809	11.6
179.98030	1.6
185.09695	1.3
186.07617	3.5
189.11534	1.6
197.99054	2.7
203.06943	1.8
203.10561	2.4
203.14529	2.6
203.17937	82.7
204.08653	17.2
204.13728	7.1
204.18285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.34743	0.6
51.95483	0.7
53.03926	1.5
55.05501	8.1
56.05000	1.0
56.96557	1.2
57.07058	0.8
60.04519	7.8
61.02911	1.1
61.25882	0.6
65.03913	1.2
67.05499	26.3
68.05017	3.6
69.03396	0.8
69.07059	11.5
70.93515	1.5
71.04962	0.9
79.05485	11.6
81.03384	0.7
81.07048	52.0
83.08592	1.9
84.04493	10.0
85.02901	1.8
91.05471	16.5
93.07037	23.5
95.04924	1.1
95.08597	81.7
96.04477	7.0
97.02877	6.3
97.10159	1.0
98.05996	2.1
100.02452	1.1
105.07019	50.9
107.08585	45.9
108.08909	0.7
109.06501	1.1
109.10145	59.4
110.05994	1.5
111.11703	1.0
112.11228	1.0
112.42680	0.7
114.05509	6.0
115.05442	1.9
117.06996	2.0
118.03520	0.9
119.01901	0.9
119.08571	32.9
120.96485	1.5
121.10130	14.5
123.11711	9.4
126.05513	13.0
127.03851	1.1
131.08557	3.0
133.06483	1.7
133.10114	26.5
134.10410	1.1
135.11700	4.8
138.05475	1.3
141.06999	0.7
142.07751	0.9
143.08545	1.1
144.06516	2.6
145.10121	5.2
147.11671	55.2
157.10097	1.3
159.11624	2.1
160.05251	1.1
160.12463	1.0
161.09547	1.5
161.13242	18.7
168.06560	2.1
170.10942	0.9
175.07477	1.5
175.11201	0.9
175.14819	8.4
179.97795	0.9
185.13191	1.0
186.07607	1.1
197.99097	1.0
203.05276	1.2
203.07019	1.9
203.10667	2.2
203.14291	3.9
203.17931	100.0
204.08659	6.6
204.13838	1.3
204.18301	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05507	4.9
57.07064	4.4
65.03942	1.4
67.05500	12.1
68.99815	1.6
69.07067	12.1
71.59916	1.3
76.43407	0.8
79.05482	7.0
80.87895	1.0
81.07049	20.2
83.08600	3.2
91.04963	1.2
91.05479	15.6
93.07035	16.3
95.04941	2.4
95.08038	1.4
95.08603	14.7
103.05437	2.1
105.07026	35.3
107.08585	16.7
109.06478	1.1
109.10148	7.5
115.05450	8.1
116.06261	1.6
117.07010	20.8
118.96734	3.5
119.08577	18.6
121.10133	15.1
127.03928	1.3
127.05346	0.9
128.06201	3.8
129.07010	7.1
130.07800	11.3
131.08565	29.9
132.09282	1.9
133.10120	11.6
134.99664	1.0
141.06874	1.1
142.07755	2.5
143.08568	11.7
144.09337	9.6
145.06468	12.7
145.10112	100.0
146.06819	0.9
146.10573	3.1
155.04843	1.4
155.06000	1.5
155.08536	1.1
157.10121	7.3
158.10880	4.2
159.11681	73.5
160.12010	1.4
171.11707	4.3
172.12398	1.8
173.05989	10.4
173.13257	15.4
177.98030	2.1
186.14000	2.6
201.03680	1.5
201.05447	12.0
201.09116	2.1
201.12651	3.2
201.16367	54.1
201.77191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03609	10.2
70.06583	3.4
76.48344	2.5
83.45382	2.5
85.15415	3.0
85.33871	2.7
87.15827	3.0
98.04221	2.6
98.21078	6.8
104.17105	2.5
114.13572	2.6
203.05254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05510	9.5
56.05017	2.1
57.07071	5.4
60.04519	11.8
61.02918	1.8
67.05499	15.9
68.05026	9.8
69.07069	14.7
69.07618	1.2
69.55997	9.5
79.05476	10.1
81.03417	2.8
81.07049	37.4
83.08588	3.7
84.04032	2.0
84.04498	30.2
85.02871	5.8
91.05465	23.5
93.07046	18.6
95.04923	1.4
95.08601	48.8
96.04485	14.9
97.02879	18.3
97.10242	1.1
98.06042	3.3
99.04424	1.9
100.02468	3.5
105.07021	100.0
107.08581	26.7
108.04488	1.7
109.02863	1.5
109.10147	38.4
110.06030	3.3
110.74126	1.0
114.05521	15.3
117.06980	1.8
118.03481	3.8
119.08568	55.3
120.96472	2.2
121.10139	17.2
123.11727	5.6
126.05507	34.4
127.03894	2.4
128.06981	1.1
131.08546	4.1
133.10115	43.6
134.42816	1.1
135.11656	4.6
138.05478	3.8
144.06548	7.0
145.04958	1.4
145.10098	6.5
147.11674	73.7
148.12096	1.2
153.58446	1.2
156.06552	1.2
157.10127	1.6
159.11661	3.4
160.12489	4.0
160.23282	1.1
161.13249	26.4
168.06522	4.2
174.14052	1.2
175.14809	11.6
179.98030	1.6
185.09695	1.3
186.07617	3.5
189.11534	1.6
197.99054	2.7
203.06943	1.8
203.10561	2.4
203.14529	2.6
203.17937	82.7
204.08653	17.2
204.13728	7.1
204.18285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03931	1.0
55.05503	4.6
56.96561	1.4
57.07072	4.2
59.93112	1.4
65.03928	1.7
67.05166	1.2
67.05503	11.8
69.03425	1.1
69.07072	5.1
69.93491	2.4
69.93906	1.7
70.06561	0.8
71.08619	0.8
78.84035	0.7
79.05488	11.3
81.07054	38.1
82.91421	0.8
83.08606	1.5
91.05476	19.1
93.07044	25.6
95.04961	3.6
95.08605	23.5
96.67636	0.7
98.97557	0.8
103.05450	1.6
105.07027	34.5
106.07335	1.1
107.08589	31.9
109.06523	1.6
109.10155	8.8
115.05416	1.4
116.06264	1.0
116.98616	1.4
117.07014	15.8
118.07952	0.7
118.96765	9.1
119.08575	22.8
121.06474	0.9
121.10130	12.9
123.08108	1.0
128.06190	1.9
129.06985	6.1
130.07788	10.2
130.80106	0.8
131.08568	40.5
132.08897	0.8
133.10124	13.7
133.99049	1.8
134.99612	0.9
141.06932	1.3
142.07784	1.6
143.08560	8.1
144.09331	8.3
145.10117	89.2
146.10892	3.9
147.11685	1.7
150.95729	1.0
154.96506	2.2
157.10092	7.1
158.10918	5.0
159.11688	71.8
160.12119	2.1
171.11703	5.3
172.12431	1.9
172.97585	1.1
173.09671	1.4
173.13255	21.2
177.98073	4.2
186.14035	4.7
201.05408	1.2
201.09103	2.1
201.12651	2.7
201.16376	100.0
201.20384	2.8
202.16724	2.8
221.61984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1634
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03931	2.7
55.05489	3.5
57.07071	4.4
65.03915	1.2
67.05495	10.8
67.82249	0.8
68.99773	1.0
69.07065	13.1
69.57546	5.5
79.05478	7.6
81.07046	18.4
83.08594	3.2
91.05472	16.3
93.06479	0.9
93.07034	16.1
95.04945	1.7
95.08597	13.4
98.97557	1.0
103.05383	1.6
105.07019	37.0
107.08578	17.8
109.06491	1.8
109.10146	10.0
115.05450	7.2
116.98628	1.2
117.07005	20.6
118.96733	4.6
119.08558	20.4
119.09351	1.8
121.09298	1.4
121.10123	17.7
127.03945	1.3
128.06229	2.1
129.06955	7.6
130.07787	9.3
131.08554	29.4
132.09300	1.9
133.10109	11.0
133.24908	1.0
133.99031	1.6
136.26529	0.9
141.06978	1.0
142.07776	1.5
143.08536	10.8
144.09331	9.8
145.06473	15.7
145.10104	100.0
146.10692	3.7
147.11578	1.0
155.06015	1.8
157.10121	7.9
158.10873	7.1
159.11674	73.0
160.11998	2.5
163.44589	1.0
169.06543	1.0
171.11702	3.8
172.12474	2.1
173.05960	12.2
173.13240	14.7
177.98064	3.2
186.14006	2.8
201.05420	12.2
201.09068	2.5
201.12669	3.1
201.16364	59.1
202.16655	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	201.1635
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.43811	1.1
53.03926	2.1
55.01844	1.3
55.05508	9.5
55.71772	0.9
56.96545	3.5
57.03411	2.3
57.07053	4.6
59.93102	2.1
67.05165	1.5
67.05497	15.5
69.03407	2.0
69.07059	10.7
71.04967	1.4
71.08615	1.6
79.05476	12.6
81.03439	1.0
81.07051	42.5
82.07354	1.8
83.08621	4.9
85.02891	1.8
91.05466	16.8
93.06455	2.0
93.07029	24.1
95.04942	3.5
95.08048	1.7
95.08599	21.4
96.04388	1.2
97.02876	1.4
98.21513	2.0
98.97578	6.1
103.05460	1.2
105.07019	38.7
107.07858	1.7
107.08582	26.1
109.06493	3.5
109.10143	9.9
112.31479	1.0
114.05491	1.2
115.05428	2.6
116.06281	1.6
116.98583	4.3
117.07002	16.3
118.96754	12.8
119.08567	23.2
121.10130	12.2
123.11689	1.7
125.86108	1.1
127.03904	1.7
127.07548	1.4
128.06183	2.4
129.06985	7.1
130.07751	10.9
131.08557	39.5
133.10124	12.1
133.99054	3.3
134.99692	5.6
141.05394	1.6
141.07027	1.8
142.07748	2.6
143.08568	8.1
144.09317	8.2
145.06432	2.4
145.10106	100.0
146.10727	3.9
147.11664	2.9
154.96454	4.5
155.08521	1.6
156.13698	1.1
157.10101	8.0
158.10869	4.5
159.11678	69.5
159.26353	1.2
160.12086	1.7
171.11702	5.2
172.12483	1.1
173.13254	20.0
177.00688	3.7
177.98042	8.3
181.08014	1.7
183.11694	1.7
183.13786	2.5
184.94189	1.2
186.14055	5.6
201.05342	1.5
201.09068	2.7
201.12863	5.9
201.16357	95.4
202.16661	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	199.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19550	1.2
55.05503	2.3
56.05030	16.2
57.04550	4.7
57.07057	2.3
57.93552	5.7
59.06139	1.6
66.31320	1.2
67.05501	1.9
69.03413	1.9
69.04532	1.4
69.07053	5.0
70.07410	1.5
70.64592	1.2
71.02676	2.6
71.03050	2.7
71.04987	2.6
72.04505	1.9
72.08076	1.4
74.09707	9.6
81.03400	4.1
83.04968	1.5
83.08631	2.0
93.95654	1.4
98.97606	2.5
99.04498	2.4
99.05571	7.3
100.02473	2.8
100.07623	2.8
101.00877	5.3
111.04462	2.4
114.04006	1.3
116.01939	9.6
116.97219	31.6
116.98634	3.9
117.18498	1.4
118.03514	28.0
118.04305	2.0
119.01918	50.2
119.03696	1.5
120.01996	3.0
121.01682	4.8
127.50937	1.7
130.03506	5.3
131.99522	7.4
132.05067	2.9
133.04559	2.8
134.02983	100.0
134.99699	3.4
135.03217	1.7
136.04547	33.4
137.02950	29.0
137.03984	1.7
138.03035	1.9
139.00839	1.5
139.03639	3.1
140.01888	1.7
140.04625	1.5
142.03514	6.0
148.04552	1.7
148.96204	2.9
150.06136	3.9
152.04028	29.8
152.96889	10.9
153.00726	1.6
157.03416	5.0
157.04568	28.1
157.97484	1.8
158.02950	9.1
159.04991	2.1
159.06187	1.6
160.04556	8.3
161.02962	5.0
170.97975	2.9
171.04935	2.3
172.04535	5.9
173.07741	2.8
174.06117	3.2
174.98611	2.1
175.04358	4.4
175.05666	32.1
175.98512	24.3
176.02429	2.5
176.04015	39.8
176.05774	5.3
177.01010	5.3
177.03955	2.0
178.05634	4.1
180.00658	1.5
181.04633	4.0
190.05602	4.0
191.08667	1.9
193.05063	2.1
193.06712	14.8
194.05118	17.3
194.06944	4.5
195.04822	1.8
199.04192	1.7
199.05710	19.0
199.18871	33.9
200.04005	3.3
217.06956	15.4
218.05003	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	200.9746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69499	0.2
62.98251	100.0
63.04510	0.3
69.79182	1.3
80.94859	1.2
82.94557	1.9
88.99782	0.4
115.82973	0.3
118.97173	2.7
132.98859	0.3
137.96251	0.3
154.96944	0.6
158.44022	0.3
158.96402	31.3
183.84645	0.3
200.97453	5.3
201.03755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.45679	0.6
55.01847	1.2
55.05484	2.6
56.96555	6.9
57.03424	1.1
59.93077	1.0
67.05499	6.3
69.03412	3.6
69.07046	2.1
69.92768	5.0
71.04970	1.3
73.02892	2.8
76.04002	0.7
79.05473	3.5
81.03422	1.3
81.07053	7.5
83.08592	1.4
85.02915	1.9
85.06517	1.3
91.05468	11.5
92.70802	0.7
93.07035	4.6
95.04939	2.6
95.08582	2.3
97.02889	1.8
97.91566	0.7
98.97570	4.4
103.05432	1.3
105.07019	12.2
107.08554	2.3
109.06478	2.2
109.10126	2.1
113.05996	1.1
115.05424	3.8
116.06225	1.5
116.98631	3.8
117.07008	8.0
118.96738	7.6
119.04955	1.7
119.08568	17.1
120.05721	0.9
121.06473	3.4
121.10147	1.3
123.04367	0.9
123.11696	2.4
127.03871	3.5
128.02242	1.2
128.06175	5.5
128.98582	1.3
129.06982	13.4
130.07747	3.3
131.08551	36.2
133.10115	34.9
133.99039	1.7
134.03052	0.8
134.99617	3.2
137.05928	1.6
141.06958	5.0
142.07721	4.2
143.08543	29.7
144.05702	1.7
144.09364	7.1
145.06483	7.4
145.10106	33.0
146.07217	0.9
146.99643	2.7
147.08025	2.1
150.95631	1.2
153.06967	3.5
154.01297	0.8
154.96405	1.4
155.08554	5.6
156.09317	1.8
157.06494	2.1
157.10120	9.1
158.07300	4.6
158.10889	36.0
159.08037	11.7
159.09245	1.2
159.11690	13.4
167.08623	0.9
168.09300	2.9
169.06415	0.9
170.04138	1.2
171.08025	10.2
171.11676	2.2
172.08809	13.7
173.05908	1.1
173.09644	17.5
173.13243	100.0
174.13571	2.9
177.00650	1.6
177.98045	4.8
179.04648	2.6
183.11658	4.5
185.09496	1.1
186.06845	1.5
186.10385	38.6
187.10818	1.0
201.05487	3.4
201.09056	5.9
201.12723	80.2
201.16298	4.9
202.13007	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60007	0.3
53.03930	0.7
55.01865	2.7
55.05508	0.4
55.93511	0.7
56.96568	0.5
65.03941	2.1
67.05502	2.1
68.05018	0.3
69.07061	2.9
70.77110	1.1
70.95860	9.4
72.93786	5.8
73.02911	20.4
78.32027	0.3
81.03426	0.5
81.07057	0.5
84.66660	0.3
85.02896	0.4
88.96889	2.2
89.23463	0.4
90.94817	0.8
91.03971	0.4
91.05463	3.6
93.03371	0.6
93.07030	0.8
95.04958	1.8
95.08638	0.3
95.61166	0.3
98.21281	0.7
105.06994	0.8
107.08581	1.6
108.02078	1.9
109.06516	0.7
110.03651	2.9
111.04438	2.4
111.98468	6.9
112.34036	0.4
113.08234	2.9
113.96382	1.1
117.03352	0.5
119.04930	1.4
120.65052	0.4
125.05980	14.2
129.99495	5.2
131.96135	0.5
131.97435	0.7
132.95816	9.0
133.10112	1.3
135.11716	1.0
136.01550	0.5
137.05978	1.0
137.08212	0.8
141.05466	4.9
149.05946	3.5
149.97270	0.9
150.96873	28.3
151.03891	100.0
151.04977	7.1
151.07440	3.1
152.04169	1.6
153.01051	0.7
155.09259	1.7
155.97411	7.8
161.09645	0.7
168.97919	1.5
173.98479	17.8
174.98848	0.4
179.07021	18.5
179.09319	0.9
179.10666	1.4
180.07372	0.4
191.99583	0.3
197.00183	0.8
197.08157	4.6
197.09886	0.7
197.11732	1.5
198.18524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03922	2.5
55.01862	1.4
55.05490	3.1
55.93505	1.6
57.03429	1.3
57.69132	0.9
59.04998	2.6
59.06073	1.0
65.03931	1.0
67.05508	5.5
69.03420	1.9
69.07064	10.5
70.95856	18.1
71.00272	2.0
71.00620	1.1
72.93775	10.3
73.02903	1.4
79.05487	7.1
81.07048	6.1
85.06535	1.4
88.96878	4.3
90.94807	3.5
91.05468	21.7
93.07033	23.2
95.04968	10.4
95.08575	3.1
98.99994	1.1
99.04441	1.7
105.03382	9.3
105.07020	29.1
107.08581	74.4
109.06509	7.2
109.10164	7.8
111.04448	1.1
111.98450	16.8
113.06021	1.0
113.08239	4.4
113.96332	1.1
117.06972	1.7
119.04928	3.7
119.08566	10.7
120.09287	1.0
121.06518	5.6
121.10083	1.2
121.81561	1.1
123.04450	4.6
123.11684	3.9
125.05965	1.8
129.99503	12.3
131.08549	4.2
131.97414	1.6
132.95825	22.0
133.06517	1.5
133.10117	75.3
134.10493	1.3
135.08020	3.0
135.11678	63.7
137.05925	3.2
137.08195	2.2
137.09557	4.8
141.00975	1.7
141.05423	1.4
143.08562	1.8
146.07173	1.8
149.97157	1.0
150.96873	59.6
151.03922	4.4
151.11201	6.2
151.97227	1.1
155.09251	3.1
155.66853	0.9
155.97415	16.4
161.09599	36.6
167.10706	1.2
168.97917	2.4
173.98474	34.9
179.03401	1.0
179.10652	100.0
191.99544	1.0
192.30182	0.9
197.00063	1.1
197.11717	61.6
198.18575	2.3
218.40453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01880	0.9
55.05502	2.7
59.74357	0.9
61.02904	1.9
67.05473	3.1
69.03407	1.8
69.07058	5.5
70.75202	2.6
70.95851	10.2
71.52494	1.0
71.52927	1.0
72.93775	6.7
73.02912	1.4
79.05479	7.1
81.03416	1.1
81.07043	8.3
88.96876	2.7
91.05462	14.2
93.07030	19.3
94.60416	1.1
95.01295	2.5
95.04967	2.0
95.08583	4.8
96.61864	1.0
96.72368	1.2
97.06513	1.9
99.04460	0.9
102.39690	1.0
105.07017	29.6
107.08578	100.0
109.06491	5.8
109.10137	5.1
111.98447	8.5
113.08212	2.2
113.96384	1.1
119.04897	1.9
119.08569	14.9
121.06459	1.9
121.10122	13.9
123.00797	2.4
123.08073	1.6
123.11664	3.6
125.05841	1.0
125.09588	1.5
125.21648	1.1
128.06221	1.3
129.99492	6.9
131.08524	4.5
131.97411	1.6
132.05548	1.0
132.95810	13.1
133.06421	1.2
133.10110	59.4
134.10374	1.0
135.11641	3.5
137.05962	2.8
137.09593	2.8
139.07526	5.1
141.07034	1.2
143.08528	2.5
146.07259	1.2
149.09589	9.4
150.96866	31.4
151.07486	2.3
151.11156	17.9
155.97412	8.3
161.09599	17.4
167.10652	27.4
168.97874	1.6
173.98459	18.6
179.09087	2.2
179.10643	40.1
183.34386	1.0
197.00861	10.6
197.07425	1.3
197.11693	47.2
198.18477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00101	4.2
55.05508	7.4
69.03424	7.2
71.55834	5.4
71.56171	5.0
73.02905	5.2
75.99110	3.7
85.02891	5.5
95.06078	9.2
107.20129	4.1
110.07170	16.0
128.95239	5.3
152.06812	80.3
152.70699	5.3
162.05450	5.6
180.06491	6.8
182.08063	7.4
191.75133	4.4
198.07356	100.0
198.09068	8.7
198.11288	5.5
198.18498	68.1
202.57854	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	197.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
55.05489	0.4
57.03422	0.4
65.03925	1.7
66.72686	0.4
67.05502	3.2
69.07063	3.0
69.62045	3.6
70.95856	5.3
71.06094	0.5
72.93788	3.5
73.02911	18.9
79.05481	1.1
81.07018	1.1
85.02839	0.5
88.96905	1.4
89.03870	0.6
90.62508	0.5
91.03944	0.5
91.05479	6.4
93.07020	2.1
95.04966	2.8
95.08586	0.8
98.58932	0.5
104.82111	0.5
105.07030	4.5
107.04967	0.5
107.08585	23.6
108.02077	2.1
108.95848	0.6
109.02872	0.7
109.06528	2.0
109.10165	1.3
110.03642	2.7
111.04443	2.2
111.98476	4.7
112.11312	0.5
113.08256	2.8
113.96381	0.9
117.03342	0.6
119.04882	2.2
119.08610	1.1
121.10036	0.5
123.11781	0.5
125.05978	15.7
129.99478	3.3
132.95822	6.2
133.06479	0.5
133.10115	12.3
135.11652	2.6
136.01526	0.6
137.05943	1.8
137.06953	0.4
137.08182	0.9
141.01044	0.6
141.05444	5.9
149.05983	3.0
150.96875	17.8
151.03894	100.0
151.04997	8.7
151.07445	3.4
151.11195	1.0
152.04263	1.3
155.09254	1.3
155.97383	6.4
161.09628	3.2
168.97971	0.9
173.96976	0.5
173.98468	11.6
179.07054	17.5
179.10631	5.8
191.99440	0.7
197.00340	0.6
197.08128	5.2
197.09999	0.8
197.11746	8.4
197.13484	0.8
198.18538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0602
Annotation	Dopaquinone
Peak:m/z	Relative Intensity
53.03937	1.6
54.53973	0.7
54.93832	1.6
55.01874	1.2
65.03947	2.0
67.05496	1.2
67.52271	0.6
69.03436	1.1
69.07084	1.1
69.96169	15.4
69.96548	0.8
70.26500	2.4
70.95853	5.7
71.94090	6.4
72.93790	3.0
75.17303	0.7
79.05482	1.6
80.05045	1.1
81.03419	3.1
88.96912	2.0
89.95131	1.0
91.05493	0.8
94.06560	2.6
95.01328	1.0
95.04960	2.7
104.04964	0.7
105.03375	4.8
107.01255	1.4
108.04457	3.2
109.02885	5.4
110.98804	1.6
111.98474	3.0
112.56682	0.7
113.95156	2.0
113.96404	0.9
122.06013	5.9
123.04407	7.4
125.02331	1.0
126.05496	2.3
127.03890	5.0
129.99493	2.4
131.96126	45.3
132.04437	1.8
132.95816	6.0
133.02835	16.2
136.03868	1.8
136.07571	1.0
137.02385	1.4
140.07043	1.9
143.03369	1.8
149.97185	100.0
150.05484	53.4
150.96852	12.3
151.03889	9.7
153.01819	13.2
153.02980	1.4
154.04953	6.9
154.97710	15.8
154.98904	1.3
155.97415	3.4
160.03970	1.6
161.02281	2.0
164.03159	1.0
164.04356	1.5
165.01808	1.9
167.03392	1.1
167.98242	11.3
168.06531	4.9
172.98792	32.2
173.98474	6.1
178.01370	1.8
178.04967	36.8
179.03372	69.7
180.03612	1.0
181.03584	1.4
183.02798	0.8
190.99779	1.9
192.14711	0.8
196.00545	0.8
196.02425	2.3
196.06026	24.6
196.16954	1.1
197.00766	1.8
197.04416	1.6
210.94157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.60007	0.3
53.03930	0.7
55.01865	2.7
55.05508	0.4
55.93511	0.7
56.96568	0.5
65.03941	2.1
67.05502	2.1
68.05018	0.3
69.07061	2.9
70.77110	1.1
70.95860	9.4
72.93786	5.8
73.02911	20.4
78.32027	0.3
81.03426	0.5
81.07057	0.5
84.66660	0.3
85.02896	0.4
88.96889	2.2
89.23463	0.4
90.94817	0.8
91.03971	0.4
91.05463	3.6
93.03371	0.6
93.07030	0.8
95.04958	1.8
95.08638	0.3
95.61166	0.3
98.21281	0.7
105.06994	0.8
107.08581	1.6
108.02078	1.9
109.06516	0.7
110.03651	2.9
111.04438	2.4
111.98468	6.9
112.34036	0.4
113.08234	2.9
113.96382	1.1
117.03352	0.5
119.04930	1.4
120.65052	0.4
125.05980	14.2
129.99495	5.2
131.96135	0.5
131.97435	0.7
132.95816	9.0
133.10112	1.3
135.11716	1.0
136.01550	0.5
137.05978	1.0
137.08212	0.8
141.05466	4.9
149.05946	3.5
149.97270	0.9
150.96873	28.3
151.03891	100.0
151.04977	7.1
151.07440	3.1
152.04169	1.6
153.01051	0.7
155.09259	1.7
155.97411	7.8
161.09645	0.7
168.97919	1.5
173.98479	17.8
174.98848	0.4
179.07021	18.5
179.09319	0.9
179.10666	1.4
180.07372	0.4
191.99583	0.3
197.00183	0.8
197.08157	4.6
197.09886	0.7
197.11732	1.5
198.18524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.82463	0.7
53.03935	1.8
55.01857	2.0
55.05499	7.2
56.96548	3.7
57.03424	2.1
57.07047	2.5
65.03931	1.9
67.05161	1.3
67.05496	15.5
68.05834	1.1
68.96310	2.7
69.03416	3.0
69.07052	9.9
69.96143	1.1
70.94233	2.0
71.04977	2.8
71.58806	1.0
72.61333	0.9
72.93766	1.2
73.02895	1.1
77.03909	1.2
79.05481	13.3
79.12715	0.8
80.36234	0.8
81.03401	2.4
81.07042	18.0
82.06548	0.9
83.04977	4.1
83.08599	4.9
85.06531	100.0
86.06849	0.8
89.03902	1.5
89.06001	3.7
91.05467	8.6
93.07027	28.2
93.07617	1.4
93.14397	1.0
95.04945	8.6
95.08600	13.5
97.02889	1.2
97.06516	7.3
97.07764	0.8
97.10162	1.1
99.08050	1.9
103.05427	2.0
105.07013	6.8
107.04935	13.6
107.08578	16.5
109.06503	4.9
109.10138	26.0
109.98934	2.1
111.04432	1.5
111.08064	4.9
115.05440	0.9
117.03382	3.3
117.06995	3.4
119.04906	0.9
119.08612	4.7
121.06480	4.0
121.10123	26.1
123.08050	2.8
123.11718	1.6
124.05219	0.8
125.05978	1.5
125.09589	2.2
127.99954	2.2
130.96269	2.3
131.08525	3.6
131.96204	1.9
131.97389	1.5
133.02824	1.7
133.06511	0.9
133.10100	3.5
134.03603	0.9
135.04407	4.5
135.08040	4.8
135.11658	8.4
136.07491	0.9
137.09581	4.3
138.06651	1.1
139.07565	2.0
139.11162	13.2
139.89835	0.9
144.09303	1.5
145.02814	6.7
148.97316	8.9
149.05974	2.9
149.09645	5.5
149.13231	11.8
149.97144	7.3
151.11116	1.5
152.06136	1.9
153.09074	2.9
153.97878	2.3
154.97771	1.0
159.11671	7.6
163.03877	5.4
163.07532	2.4
165.06961	3.4
166.07683	1.0
167.07155	1.5
167.08562	4.8
167.14284	1.1
167.98228	1.5
170.99208	0.9
171.98936	5.8
172.98840	2.0
174.20438	0.8
177.05472	8.0
177.06924	1.6
177.09087	1.0
177.12723	27.8
177.16420	1.5
180.09245	0.9
181.06435	1.0
195.02863	6.8
195.06474	2.2
195.07979	5.2
195.10068	4.7
195.11845	1.9
195.13821	16.6
195.15558	1.6
195.17332	1.6
196.16885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03922	3.2
55.01855	3.2
55.05504	14.7
56.96561	10.9
57.03423	4.6
57.07053	1.7
65.03925	1.1
65.28938	1.1
67.05499	50.7
68.96313	4.3
69.03413	1.7
69.07060	15.9
69.96167	1.3
70.85314	1.5
70.85655	2.6
70.94235	2.4
71.01329	3.4
71.04967	5.0
71.94091	1.4
71.95234	1.7
72.93791	2.2
73.02908	2.2
77.03916	1.4
79.05485	37.7
81.03415	8.0
81.07049	100.0
82.07348	1.3
83.04971	14.1
83.08617	10.5
85.06517	5.2
86.97351	1.6
87.04454	1.7
89.06003	1.9
91.05473	24.0
93.07033	64.1
95.04967	6.7
95.08600	37.0
97.06527	13.3
97.10117	1.5
99.08092	2.2
103.05455	1.5
105.07021	11.7
107.04929	2.1
107.08575	25.3
109.06525	5.6
109.10139	4.3
109.98902	3.7
111.08068	6.0
111.34280	1.3
112.60782	1.0
113.05991	1.3
113.09579	2.2
113.41419	1.2
113.64690	1.1
113.96386	2.0
117.07008	9.0
119.08569	3.0
121.06482	6.1
121.10120	8.2
127.99982	2.9
130.96292	3.5
131.08563	14.5
131.96135	1.6
131.97356	2.6
133.10117	14.8
135.08054	5.9
135.11676	31.7
136.11998	1.7
138.06586	1.4
145.02797	1.7
145.58565	1.4
148.97327	11.4
149.05984	2.5
149.09616	2.5
149.13239	20.4
149.97176	8.2
151.11163	2.1
153.97881	2.9
154.97725	1.5
159.11674	17.7
167.98248	1.5
171.98906	8.1
172.98839	4.2
177.05400	2.9
177.12738	12.5
195.02858	4.9
195.10152	1.8
195.11926	2.0
195.13748	13.7
213.07979	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03950	1.8
55.01864	2.0
55.05506	1.5
56.96557	1.5
57.03424	0.8
65.03927	1.4
67.05501	1.9
68.05029	0.5
68.96327	1.3
68.99796	0.6
69.03423	0.7
69.07056	2.1
69.96163	0.7
70.06576	0.8
71.04993	0.6
71.59583	0.5
71.59971	0.7
77.03914	0.8
78.04699	1.1
79.05489	12.6
81.03396	0.6
81.07042	3.3
83.04962	1.2
85.06543	1.5
89.03889	0.7
89.06026	2.7
91.05478	9.4
92.06284	0.8
93.07035	3.1
95.04963	7.0
95.08598	2.0
97.06535	0.7
103.05455	14.3
103.92923	0.5
105.07021	11.2
106.06548	0.7
107.04944	100.0
107.08578	4.9
108.04591	0.6
108.05253	1.5
109.06506	1.4
109.10158	0.6
109.98917	0.6
111.04418	2.1
111.08104	1.0
115.05442	6.7
116.98619	1.0
117.03354	3.3
117.07007	3.0
119.04908	1.2
119.08569	1.0
120.05712	5.2
121.02869	0.6
121.06475	2.1
121.10103	2.8
123.04426	1.1
123.08038	0.9
124.05189	1.8
125.06023	2.7
125.06735	0.5
127.99897	0.7
130.71071	0.6
130.96304	1.3
131.04916	4.2
131.96118	0.9
133.02847	2.4
133.06473	2.1
133.10114	0.9
135.04385	2.6
135.08040	26.8
135.11656	2.0
136.08485	0.8
137.05948	1.6
137.09576	0.8
138.06703	0.6
139.03867	2.2
139.07520	1.3
140.04691	0.6
145.02870	4.2
145.06522	0.7
145.07608	1.8
147.04373	2.5
148.97327	4.2
149.05992	2.8
149.09564	1.4
149.13286	0.9
149.97194	2.9
151.03880	1.1
151.07492	2.0
152.04704	0.9
153.05438	1.3
153.09143	0.9
153.97868	1.4
154.06244	4.3
163.03905	3.7
163.07532	44.6
164.07909	1.1
165.05438	1.8
167.07033	27.4
168.04160	1.7
168.07394	0.6
171.98970	3.9
172.98773	1.2
177.05460	5.7
177.09082	2.1
177.12741	1.0
180.07784	5.7
181.04965	1.2
195.01170	0.6
195.02914	2.4
195.06447	2.3
195.08521	0.8
195.10138	22.4
195.13855	1.1
195.15553	0.5
196.07303	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	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.59413	0.5
53.00297	0.7
53.03936	1.4
55.01853	2.4
55.05493	2.1
56.37590	0.6
56.96553	1.3
57.03432	0.8
57.07076	0.7
62.76648	0.6
65.03920	2.1
67.05485	2.7
68.96323	1.5
69.03416	1.9
69.07055	2.8
69.96146	0.7
70.94252	1.3
71.04974	0.8
71.59447	0.9
76.55824	0.5
77.03919	0.8
78.04721	0.8
79.05055	1.1
79.05483	14.6
81.03415	1.6
81.07054	3.0
83.04966	1.9
83.08647	0.7
83.78144	0.6
85.06533	2.2
89.03918	1.7
89.06034	1.8
91.05473	10.4
92.06243	1.1
93.03356	0.9
93.07026	4.2
95.04953	6.1
95.08603	2.8
97.06528	1.2
98.06045	0.7
98.97558	1.0
103.05462	12.8
105.03407	1.0
105.07018	10.6
106.04156	0.6
107.04942	100.0
107.08576	4.7
108.05264	1.3
109.06530	1.9
109.10153	1.7
109.98928	1.3
111.04434	2.3
111.08035	1.1
115.05444	6.2
116.98628	1.3
117.03362	3.3
117.07007	2.5
119.04911	1.4
119.08562	0.8
120.05696	4.3
121.06478	2.0
121.10120	3.8
123.04401	2.0
123.08041	1.2
124.05207	1.8
125.05981	2.1
127.99937	1.4
130.96283	1.3
131.04907	3.1
133.02843	2.3
133.06450	0.6
134.03566	0.7
134.07198	0.8
134.99696	1.0
135.04407	2.9
135.08038	27.9
135.11642	2.8
137.05965	1.9
137.09627	0.7
138.06592	0.9
139.03915	2.1
139.07538	1.9
140.04694	1.1
145.02846	5.6
145.07605	1.8
147.04405	2.5
148.05099	0.9
148.97353	5.2
149.02359	0.8
149.05962	3.0
149.09633	1.8
149.13231	1.4
149.97209	3.2
151.03896	1.3
151.07553	2.0
152.04674	0.9
153.05473	1.2
153.09137	0.9
153.97864	1.9
154.06236	5.0
158.99568	0.9
159.11746	0.8
163.03941	4.5
163.07527	44.4
164.07999	0.8
165.05434	2.1
165.06781	0.7
167.03438	0.8
167.07027	26.0
168.04233	2.3
171.98915	3.0
172.98836	1.3
177.00664	0.9
177.05457	7.9
177.09058	1.2
177.12773	1.5
180.07794	7.4
180.09218	1.0
181.04930	1.3
186.55264	0.6
195.01291	0.8
195.02916	4.9
195.06544	3.2
195.08549	1.1
195.10159	25.1
195.13869	1.6
195.15648	1.0
196.07359	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03927	3.6
55.01856	3.1
55.05502	15.5
56.96560	9.7
57.03418	5.2
57.07059	2.1
65.03927	3.6
67.05497	56.2
68.96310	2.7
69.07061	17.5
70.12531	5.0
70.94220	1.8
71.01324	3.9
71.04988	7.5
71.95233	1.6
72.93780	1.2
73.02882	1.3
77.19627	1.2
79.05005	1.2
79.05483	42.3
81.03413	9.1
81.07047	100.0
83.04968	14.7
83.08613	9.7
85.06510	3.4
87.04461	1.6
89.06015	1.6
91.05468	24.7
92.51023	1.2
93.07034	62.8
95.04964	9.1
95.08598	38.9
97.06516	14.5
97.10134	1.5
97.21132	1.2
99.08054	3.5
102.35078	1.2
105.07020	12.4
107.04934	2.6
107.08589	23.4
109.06512	4.6
109.10142	4.2
109.98911	3.5
111.08052	7.4
113.05978	2.3
113.96394	1.7
117.06999	11.2
119.08547	4.6
121.06483	4.6
121.10135	8.8
127.99951	1.9
130.96284	4.5
131.08553	13.1
131.96121	3.1
133.10097	15.3
135.08058	3.7
135.10661	2.5
135.11665	33.0
145.02794	2.6
147.11665	1.5
148.97337	11.0
149.09598	3.6
149.13248	24.7
149.97183	9.0
151.11139	1.4
153.97818	2.3
159.11671	18.6
163.03839	1.3
171.98907	6.0
172.98845	2.9
177.05411	2.9
177.12753	17.0
195.02808	2.9
195.06393	1.9
195.11884	1.8
195.13785	14.6
213.07877	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	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03935	1.2
55.01862	1.6
55.05491	1.0
57.03402	0.6
57.07063	0.9
65.03922	1.7
67.05497	1.7
67.45913	0.6
69.03417	0.9
69.07051	2.0
69.47379	4.4
69.96143	0.7
70.27016	0.5
70.94260	0.8
77.03857	0.7
78.17533	0.5
79.05484	10.7
81.07047	2.4
83.06110	0.7
85.06540	1.0
89.03917	0.8
89.06031	1.1
91.05461	7.5
93.03402	0.7
93.07050	5.1
94.04120	0.7
95.04959	5.5
95.08568	1.1
97.06483	0.9
98.97575	1.0
103.05450	14.6
105.03390	0.7
105.07010	9.7
107.04940	100.0
107.08595	3.6
108.05283	1.2
109.06500	2.0
109.98930	1.0
111.04431	1.2
111.08048	0.8
115.05437	7.0
116.98606	0.6
117.03366	1.5
117.06969	3.1
119.04947	0.7
119.08522	0.8
120.05700	5.5
121.02856	0.7
121.06493	1.9
121.10136	3.2
123.04409	1.5
124.05192	2.4
125.06003	1.6
130.96362	0.8
131.04930	4.5
131.08488	0.7
131.96175	0.9
133.02864	1.5
133.06500	1.6
135.04437	0.8
135.08037	28.6
135.11647	1.5
137.05974	1.8
138.06618	0.9
139.03900	1.5
139.07538	0.7
145.02812	3.1
145.07542	3.3
147.04434	2.3
148.97365	2.9
149.05983	1.7
149.09628	0.8
149.13153	0.9
149.97176	3.1
151.03938	0.7
151.07452	0.9
152.04688	0.9
153.97923	0.9
154.06256	4.1
163.03903	1.3
163.07523	49.2
164.07953	1.0
165.05498	1.9
167.07025	19.5
171.98927	2.3
172.98769	1.2
177.05432	4.0
177.09140	1.1
177.12782	1.1
180.07799	5.0
188.05190	0.6
195.01193	1.0
195.02812	3.8
195.06525	1.6
195.10162	20.3
195.13870	1.5
205.46286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99527	4.5
62.97941	5.3
62.98255	91.8
69.07022	5.3
69.73057	24.4
69.73477	11.6
73.02917	9.4
81.03397	6.2
82.94531	7.1
85.45686	4.3
87.06497	5.9
98.20724	5.9
98.21317	12.8
104.99264	24.5
107.04984	5.1
112.89605	31.2
118.97196	11.6
119.00811	100.0
120.98727	14.1
132.98758	5.4
135.00269	14.3
176.99954	7.3
177.01352	51.7
185.02832	6.8
194.91920	40.2
194.96698	20.9
195.02415	21.8
195.06419	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.45462	0.4
55.01852	0.5
63.02362	0.8
65.03905	0.6
69.45257	3.3
78.04710	1.4
79.05499	1.3
84.28739	0.4
89.03907	24.2
91.05462	2.4
93.03400	0.8
93.07037	0.5
95.04958	1.1
103.05464	1.5
106.04173	1.7
107.04956	2.0
107.08582	0.7
111.04432	1.3
117.03369	49.9
118.24040	0.4
119.04916	0.8
121.01071	0.6
121.06488	1.1
124.05189	0.4
125.05972	1.1
130.96275	0.7
134.03621	8.2
135.03384	0.7
135.04399	8.0
145.02834	91.8
146.03174	0.9
147.71201	0.4
148.97365	0.5
149.00537	1.0
149.05968	24.0
149.09563	0.9
149.97165	0.7
153.05481	2.3
162.03130	2.3
163.03885	10.8
164.11812	0.4
177.05455	100.0
177.54329	0.4
178.05862	1.2
186.05481	1.2
195.01045	3.0
195.02890	1.4
195.06456	1.4
206.97032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03937	0.6
53.24656	0.4
55.01858	1.0
55.05498	1.0
56.96561	1.0
57.03450	0.3
57.07040	0.4
63.02383	1.1
65.03931	1.8
67.05495	1.2
68.96330	1.0
68.99786	0.4
69.03432	0.4
69.07049	0.9
69.27701	0.6
69.28104	3.8
70.94247	0.9
71.04980	0.5
75.71964	0.3
78.04705	1.3
79.05481	4.6
81.03403	0.4
81.07062	1.6
83.04954	0.9
85.02860	0.4
89.03907	30.3
89.06001	1.0
91.04961	0.4
91.05479	4.8
93.03443	0.7
93.07036	2.4
95.04948	2.3
95.08588	1.4
97.02854	0.4
97.06546	0.5
98.20753	0.7
103.05445	2.5
105.03345	0.7
105.07007	1.8
106.04190	1.8
107.04942	11.8
107.08597	1.8
109.06482	0.9
109.10160	0.5
109.98940	0.8
111.04418	5.2
111.08064	1.0
115.05439	0.7
117.03363	51.5
118.03686	0.7
119.04927	1.1
120.05608	0.5
121.02866	0.7
121.06458	2.4
121.10126	1.6
123.08013	0.6
124.05206	0.9
125.05978	3.3
127.99969	0.9
130.96254	0.8
131.04900	0.4
131.08577	0.9
131.96089	0.9
132.35434	0.4
133.02789	0.4
134.03624	8.9
134.99678	0.4
135.03381	0.6
135.04407	11.8
135.08043	3.9
135.11664	1.7
136.05017	0.5
137.05907	0.7
137.09647	0.7
138.06622	0.7
139.03865	0.7
139.07526	1.1
145.02826	91.1
146.03192	0.7
147.04396	0.6
148.97356	3.5
149.05962	24.1
149.09604	1.0
149.97166	2.5
150.06575	0.5
153.05435	5.7
153.09065	0.4
153.97855	1.2
154.06244	0.5
154.97737	0.6
158.05994	0.4
162.03134	1.9
163.02534	0.7
163.03886	11.9
163.06371	0.5
163.07536	3.9
167.03389	0.7
167.07005	3.5
171.98909	2.1
172.98842	0.8
177.05446	100.0
178.05751	1.1
180.07773	0.7
186.05423	2.1
195.01157	0.7
195.02802	3.5
195.06425	1.6
195.08717	0.7
195.10190	3.7
195.13806	1.2
195.15703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03925	2.3
54.42942	1.0
55.01833	1.6
55.05298	1.0
55.05512	11.3
56.96559	2.5
57.07066	2.5
61.90275	1.0
65.03905	2.0
67.05225	1.0
67.05502	11.4
68.94370	1.5
69.03400	1.2
69.06712	1.8
69.07061	25.6
71.04986	13.6
71.42100	2.2
71.42472	1.0
74.04201	1.0
79.05486	10.4
81.03418	2.6
81.07050	24.8
83.04972	1.6
83.08601	4.5
85.06537	11.2
87.04500	1.2
91.05466	10.4
93.07034	26.9
95.04966	34.9
95.08598	21.5
97.06526	3.8
97.10165	7.3
99.08070	4.2
103.05418	1.6
105.07029	16.8
107.08587	32.0
109.06509	100.0
109.10150	15.1
110.06792	1.6
111.08091	6.8
111.11704	3.6
114.52776	0.9
115.05436	1.9
119.04945	1.0
119.07782	2.0
119.08573	25.9
121.10116	8.8
123.04458	1.1
123.08062	8.8
123.11687	20.6
133.02820	2.5
133.06477	4.0
133.10126	28.1
135.08034	1.8
135.11684	33.3
137.05940	2.6
137.08649	1.3
137.09605	14.9
146.05972	3.1
146.97438	15.2
146.99638	3.4
147.04391	1.7
147.07961	1.2
147.11652	4.2
149.02321	3.2
149.13231	7.7
151.11160	6.1
151.14772	1.5
161.05925	3.5
161.68741	1.1
165.00668	1.9
165.12708	1.4
169.98996	9.9
175.03851	1.2
175.14822	33.6
176.15059	1.3
178.02525	2.4
178.96443	1.4
193.04935	17.7
193.08501	1.9
193.10403	1.2
193.12242	6.7
193.15860	56.6
194.15413	1.9
195.36626	1.3
201.97995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.02351	1.0
51.94081	1.0
53.03939	2.7
53.48259	1.0
53.95438	1.1
55.01878	1.1
55.05502	9.3
56.96555	7.9
57.03419	2.1
57.07063	3.3
60.04417	0.9
63.16360	0.9
65.03931	1.0
67.05495	16.4
68.94331	1.7
69.03407	1.7
69.07059	7.2
69.86799	4.1
71.04982	5.5
71.95267	0.9
79.05484	13.3
80.05011	1.0
81.03411	2.7
81.07049	39.6
83.04955	3.2
83.08606	10.2
85.06519	2.9
87.04466	1.3
91.05478	18.6
92.95317	0.8
93.07031	36.9
94.07317	1.1
95.04963	7.0
95.08594	34.5
97.06505	3.5
97.83232	0.9
103.05464	1.8
105.03428	1.4
105.07014	31.4
107.08578	54.6
108.04465	1.4
109.06505	9.4
109.10136	16.9
110.97599	1.1
111.08068	42.7
115.05443	2.4
117.06998	1.3
118.04137	1.4
119.08572	44.5
121.06429	1.2
121.10135	10.0
123.04416	1.9
123.08050	14.6
123.11687	11.4
125.09608	1.9
127.07543	1.8
128.96397	3.6
128.98581	3.1
129.07050	2.0
131.08562	3.5
133.02849	5.4
133.06479	7.8
133.10114	53.2
134.10455	1.7
135.11676	100.0
136.11977	1.3
137.05963	3.8
137.09608	18.5
146.05966	1.7
146.97435	41.2
146.99634	6.7
147.04379	1.6
147.08055	1.2
147.11653	9.5
147.97499	3.0
148.07536	1.1
149.02298	2.4
149.13257	3.8
151.03831	1.5
151.07405	1.2
151.11177	3.6
151.14836	1.7
161.05968	6.8
165.00708	1.7
165.05426	1.4
165.08951	1.0
165.12729	1.2
165.16406	1.2
166.08612	1.3
166.52611	1.0
169.99030	16.8
170.99071	1.7
171.03357	2.1
175.14809	69.6
176.15204	2.2
178.02592	3.2
178.96425	2.7
189.04277	4.3
192.55438	1.0
193.00688	1.5
193.04948	24.1
193.08549	3.4
193.10495	1.8
193.12186	9.9
193.15868	71.0
194.05150	1.6
194.08095	1.6
194.15491	3.8
201.97993	1.7
207.05417	2.4
212.53595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
52.77102	2.3
53.03939	2.4
55.05499	26.5
56.93874	2.0
57.07055	10.5
59.04993	2.5
65.03941	2.8
67.05494	28.9
69.03419	17.5
69.07060	22.5
70.75457	5.4
70.75778	2.6
71.04967	4.5
79.05492	12.4
81.07050	32.3
82.95494	2.1
83.04531	3.6
83.04971	37.1
83.08606	15.4
85.06528	9.2
91.05470	13.0
93.07026	26.5
95.04951	4.8
95.08591	67.1
97.06468	3.1
97.10133	2.7
99.08089	2.4
105.07013	43.6
107.08569	55.8
109.06503	24.7
109.10139	100.0
111.08070	13.6
115.05441	4.2
118.04128	2.7
119.08566	63.6
121.10132	39.6
123.08056	51.3
123.11709	12.6
125.09582	2.5
127.10102	2.2
128.32582	2.3
130.94310	2.1
131.08534	3.6
133.06503	13.7
133.10112	49.9
135.11673	85.3
137.09590	35.6
138.10365	8.0
145.09958	2.2
146.97459	2.7
147.04437	2.6
147.11639	5.7
149.13232	18.0
151.11145	16.2
151.14832	13.6
161.05954	10.7
165.12726	2.2
165.16339	4.9
175.14807	48.6
193.05049	2.5
193.08594	16.3
193.15852	99.7
207.84967	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.84518	1.6
53.99160	1.5
55.01839	2.2
55.05505	36.4
57.03423	1.9
57.07071	7.8
59.04983	4.4
62.96455	1.3
65.03932	2.1
67.05173	2.7
67.05500	33.9
69.03423	17.7
69.06706	2.5
69.07061	25.5
70.94886	4.0
70.95240	2.9
71.04982	4.5
79.05486	10.3
81.07056	43.3
83.04977	33.5
83.08614	19.7
85.06527	6.7
91.05486	11.9
93.07040	33.3
95.04958	4.5
95.08602	73.2
97.06511	4.6
97.10153	4.1
99.08086	3.4
105.07024	34.8
107.07856	2.9
107.08591	55.6
109.06503	22.3
109.10148	100.0
110.10450	2.9
111.08102	12.1
115.52421	1.4
117.07009	2.5
119.08578	66.0
121.09294	3.0
121.10130	38.8
123.08056	56.3
123.11702	16.0
125.09604	3.4
131.02623	1.8
133.06483	4.8
133.10123	57.7
134.43909	1.7
135.11682	96.3
136.12000	1.9
137.09601	39.0
137.13203	1.5
138.10361	7.0
146.97423	5.8
147.11659	5.8
149.13260	17.8
151.11169	16.8
151.14816	12.7
159.27800	1.7
161.06009	5.9
165.16388	5.9
168.74358	1.6
169.99037	2.8
175.13272	2.9
175.14816	54.0
176.15147	2.4
179.82664	1.6
193.04944	2.6
193.08582	5.1
193.15875	95.4
194.16199	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.03954	0.7
53.03928	3.0
54.44446	0.8
55.01849	2.6
55.05508	7.8
56.96553	4.5
57.03426	2.0
57.07064	3.7
65.03925	2.5
67.05500	15.5
69.03417	2.0
69.07066	9.0
69.36368	0.9
69.36723	8.5
71.04976	5.2
77.03885	1.3
79.05486	18.6
81.03410	10.9
81.06574	1.6
81.07050	32.1
82.03724	0.8
83.04966	2.3
83.08614	5.9
85.06506	2.9
87.04405	1.0
91.05475	21.7
93.07035	47.7
94.07327	1.3
95.04971	10.5
95.08597	27.7
97.02879	0.9
97.06506	3.5
99.08054	1.6
103.05476	6.3
104.06225	1.4
105.03397	1.1
105.07021	55.2
106.07322	1.9
107.04932	2.6
107.08585	59.5
109.06511	7.8
109.10133	11.9
111.07349	1.5
111.08072	19.0
115.05443	7.7
117.06986	2.6
118.04146	2.8
119.08566	44.3
120.09364	1.0
121.06493	1.5
121.10145	5.9
123.04422	1.0
123.08042	11.3
123.11692	7.9
125.09632	1.5
127.07581	3.8
128.96436	1.1
128.98578	1.5
129.06985	2.4
131.04918	1.7
131.08542	3.2
132.05675	0.9
133.02835	3.6
133.06482	29.4
133.10121	47.0
134.06880	1.3
134.10498	1.2
134.99722	0.8
135.11679	100.0
135.44472	1.2
136.11990	1.4
137.05991	4.9
137.09596	19.9
143.06053	1.9
145.10078	1.2
146.05942	0.9
146.97423	18.6
146.99608	2.4
147.04404	0.9
147.08003	2.2
147.10631	1.1
147.11684	11.8
147.97420	1.0
149.02342	1.1
149.05969	1.5
149.09583	0.9
149.13252	3.6
150.03108	1.0
150.06691	0.7
151.09969	0.7
151.11127	4.8
157.10144	1.5
160.12378	1.0
161.05974	28.3
162.06331	1.4
165.05486	2.0
165.09059	2.3
169.99033	7.6
170.01212	0.8
175.11191	2.7
175.14810	56.2
176.15092	1.4
177.00638	0.9
178.02614	3.4
178.06204	1.1
178.96423	1.6
193.03255	1.6
193.04950	15.6
193.08588	20.4
193.10281	1.9
193.12238	6.1
193.15858	50.6
194.15535	1.6
201.98108	1.1
211.68979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03935	6.5
55.01868	8.0
55.05503	10.6
56.96546	3.7
57.03418	3.6
57.03667	0.7
57.07053	2.7
64.01269	0.8
65.03927	5.4
67.05497	42.8
68.94333	1.4
69.03408	4.3
69.07059	9.8
70.91741	1.7
71.01349	1.1
71.04983	5.9
77.03902	1.3
79.05484	46.0
80.05791	1.0
81.03407	99.7
81.07047	31.4
83.04977	9.8
83.08607	11.0
85.06519	1.8
91.05470	67.3
93.07030	40.0
95.04955	51.2
95.08595	11.2
97.02860	3.0
97.06531	6.4
97.10162	1.5
98.97599	1.0
99.04440	1.4
99.08051	1.7
102.47313	0.8
103.05459	11.6
104.06237	2.0
105.03336	2.1
105.04482	1.7
105.07018	100.0
106.07333	1.9
107.04929	11.7
107.08584	15.1
109.06501	8.7
109.10140	5.0
111.04414	3.5
111.08075	4.1
113.05970	1.0
115.05435	16.1
116.06237	1.1
117.07021	4.0
118.04153	8.9
119.04903	2.5
119.08574	30.7
120.05657	1.0
121.06487	4.5
121.10146	4.9
121.10866	1.0
122.03596	1.0
123.04414	1.5
123.08062	3.8
123.11674	2.5
125.09608	0.8
127.07512	1.1
128.06200	1.3
128.96353	2.8
128.98602	1.0
129.06995	16.8
131.04893	3.7
131.08553	18.2
132.05705	2.2
133.02849	5.9
133.06476	58.5
133.10114	60.3
134.06985	1.5
134.10454	1.1
135.04401	0.9
135.07990	2.6
135.11678	18.5
137.05995	6.3
137.09563	4.6
138.44774	0.8
142.07744	6.8
143.04939	1.4
143.06012	3.0
145.10046	1.9
146.97435	23.9
146.99611	3.8
147.04356	1.9
147.08044	6.3
147.11665	22.8
148.07512	1.0
149.02271	1.9
149.05974	1.7
149.09601	14.3
149.13211	1.3
150.03119	1.2
150.06755	2.4
151.03874	1.2
151.07515	2.3
151.09720	0.7
151.11159	2.1
155.05984	0.9
157.08926	1.5
157.10117	18.2
160.05051	1.0
161.05971	51.7
162.06387	1.1
165.00696	0.8
165.05444	2.1
165.06880	1.0
165.09123	4.3
165.12753	2.0
169.99039	9.4
170.99210	0.8
175.03827	1.5
175.07477	1.4
175.09734	1.6
175.11169	23.4
175.14774	8.7
176.06955	0.9
178.02594	3.9
178.96376	3.0
189.00699	1.0
189.04311	1.8
193.00749	1.0
193.03308	1.2
193.04938	22.5
193.06531	1.2
193.08585	21.1
193.10387	1.3
193.12210	29.8
193.14128	1.4
193.15849	8.8
194.05048	0.9
194.08067	1.1
201.98099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02372	0.4
51.94069	0.4
53.03942	3.2
55.01870	4.4
55.05507	6.5
55.53313	0.4
56.96559	1.7
57.03436	1.5
57.07074	1.1
65.03940	1.8
66.04708	1.3
67.05502	16.2
68.94353	0.6
69.03425	3.2
69.07072	2.9
71.04981	1.6
71.49109	0.7
77.00869	0.4
77.03905	0.4
78.15476	0.4
79.05488	24.7
80.72534	0.4
81.03413	54.1
81.07052	12.7
82.03775	0.7
83.04981	3.7
83.08620	6.9
85.06534	1.2
89.03917	0.5
90.04692	1.3
91.05475	19.6
92.02592	0.5
93.07039	9.3
94.04171	0.6
95.04962	26.5
95.08602	6.8
97.02891	1.6
97.06520	1.6
97.10159	0.5
99.04458	0.4
99.08089	0.9
103.05463	14.9
104.06253	1.2
105.03399	1.0
105.07023	100.0
106.07350	1.9
107.04948	6.3
107.08589	5.8
108.05736	0.5
109.02856	0.7
109.06519	3.9
109.10136	3.7
110.72797	0.4
111.04430	1.4
111.08085	1.7
115.05445	20.1
117.06991	1.9
118.03429	0.3
118.04153	9.6
119.04929	1.8
119.08570	11.6
120.05706	0.5
121.06502	2.1
121.10137	3.4
122.03636	1.0
123.04436	0.9
123.08079	2.0
123.11716	1.1
124.05247	0.4
128.06175	0.8
128.96393	0.9
128.98640	0.6
129.06999	4.5
130.06509	0.4
131.04913	3.6
131.08572	5.7
132.05685	1.8
133.02866	2.8
133.06482	78.3
133.10100	7.8
134.06921	1.4
135.04379	0.6
135.08067	1.1
135.11682	2.0
137.05971	8.1
137.09618	2.0
142.07771	2.0
143.04897	1.4
143.06032	3.5
145.10132	0.7
146.97437	9.0
146.99644	1.6
147.04401	1.0
147.08006	2.9
147.11678	10.1
149.02328	1.5
149.05960	2.1
149.09579	2.7
149.13258	1.1
150.03143	1.1
150.06750	1.7
151.03897	1.0
151.07533	0.7
151.11177	0.8
157.10127	4.2
160.05183	0.9
161.05972	76.6
162.06351	1.7
165.05475	1.6
165.09103	5.4
165.12717	1.5
169.99062	4.0
175.07535	0.5
175.11162	6.0
175.14742	2.4
178.01176	0.5
178.02591	2.7
178.06175	0.8
178.96379	1.0
187.14305	0.6
193.03299	0.9
193.04933	9.7
193.08586	19.3
193.12238	9.0
193.15903	4.7
193.17612	0.6
194.05231	0.5
194.08960	0.4
194.15373	0.5
201.98035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02380	0.8
53.03942	3.3
55.01875	3.5
55.05500	5.5
56.96568	3.8
57.03423	1.2
57.07075	1.2
65.03937	1.8
67.05499	9.1
68.94331	1.3
69.03435	3.5
69.07077	3.7
71.04995	1.5
71.11365	1.5
73.02967	0.7
77.03912	0.9
79.05489	23.3
79.40428	0.6
81.03409	10.3
81.07047	21.3
83.04970	2.6
83.08601	1.9
90.04688	1.0
91.05473	19.6
93.07036	16.6
94.04176	0.7
94.07820	7.0
95.04960	10.3
95.08598	9.9
97.02896	1.6
97.06519	2.9
98.97555	1.1
99.04453	2.3
103.05454	12.1
104.06226	2.2
105.03381	1.7
105.07019	100.0
106.07358	2.7
107.04936	2.4
107.08589	9.2
109.06519	3.1
109.10158	3.0
111.08074	1.7
113.05972	3.0
115.05446	15.4
116.98632	0.8
117.06997	2.5
118.04155	9.3
119.01847	0.8
119.04913	2.5
119.08573	32.3
121.06493	1.9
121.10111	3.8
123.08068	3.0
123.11680	1.6
128.96381	1.8
128.98643	1.3
129.06978	2.1
131.04910	3.3
131.08546	3.0
132.05663	1.5
133.02832	4.4
133.06480	61.5
133.10112	12.8
134.07071	0.9
135.08110	1.2
135.11685	2.5
137.05977	3.8
137.09613	3.6
142.07709	1.6
143.04915	1.7
143.06032	3.1
145.10127	1.6
146.97430	17.2
146.99608	2.6
147.04362	2.9
147.08031	2.3
147.11671	48.1
147.97519	0.9
149.02293	1.7
149.05936	1.6
149.09608	1.7
149.13271	1.8
150.03134	1.2
150.06712	1.6
151.07507	1.5
151.11113	1.0
151.97955	0.7
157.10118	3.1
160.05193	1.3
160.08810	2.2
161.05969	54.6
162.06456	1.2
165.00716	0.8
165.05476	2.6
165.09077	2.3
165.12711	2.4
169.99025	4.8
175.11166	11.8
175.14799	2.4
178.02588	3.5
178.06085	0.9
178.96489	0.9
193.03300	1.1
193.04936	14.7
193.08580	29.1
193.12207	13.9
193.15863	3.9
193.17577	1.2
194.05313	1.1
194.12256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
52.74777	0.3
52.94180	0.3
53.03938	0.9
55.01870	4.4
55.05510	1.8
56.96558	2.8
57.03437	0.8
57.07057	0.4
61.02893	0.3
65.03947	1.3
65.88771	0.3
66.04713	0.8
67.05505	3.0
68.94341	0.5
69.03421	0.6
69.07079	0.9
70.72343	0.9
74.97591	0.3
77.03928	0.8
78.04701	1.3
79.05490	15.3
79.83397	0.3
80.04964	0.3
81.03415	4.7
81.07051	4.4
83.04974	1.1
83.06098	0.4
83.08604	0.8
85.02882	0.7
85.06520	0.6
89.03876	0.4
90.04710	1.1
91.05476	7.8
93.07054	3.1
95.04969	5.6
95.08596	2.0
97.02903	0.5
97.06528	1.0
98.97584	1.7
99.08099	0.5
102.04681	0.5
103.05466	15.5
104.06255	7.1
105.03390	1.3
105.07025	100.0
106.07359	2.0
107.04980	1.7
107.08592	2.2
108.04438	0.4
109.06520	1.4
109.10159	1.4
111.08086	0.4
115.05450	21.5
116.05753	0.5
116.98605	2.0
117.06991	0.4
118.04153	10.6
119.01808	0.6
119.04939	1.3
119.08572	5.0
120.05730	0.5
121.02868	0.3
121.06516	0.9
121.10110	1.1
122.07267	0.4
123.04451	0.5
123.08078	1.0
123.11697	0.4
128.02301	1.1
128.96426	0.5
128.98622	0.7
129.06995	0.7
130.04155	0.6
131.04932	4.7
131.08574	0.8
132.05711	6.6
133.02881	3.3
133.06485	90.7
133.10106	2.8
134.06821	1.7
134.99670	1.8
135.04425	0.7
135.08060	1.0
135.11668	1.1
137.05994	2.3
137.09593	0.7
138.41196	0.4
142.07811	0.4
143.04893	1.3
143.06030	6.2
146.03522	0.4
146.05952	0.3
146.97440	7.2
146.99612	1.3
147.04399	1.0
147.08037	1.3
147.11678	4.0
147.97447	0.3
148.05168	0.4
149.02385	0.8
149.05980	3.6
149.09558	0.6
150.03128	0.8
150.05551	0.5
150.06723	1.4
151.03900	1.0
151.05861	0.9
153.00752	0.4
160.05209	3.6
161.02312	1.5
161.05975	63.6
162.06300	1.7
163.03741	0.4
165.05460	1.2
165.09076	2.2
169.99046	3.0
175.03905	0.5
175.07521	0.7
175.11169	1.5
175.14799	1.5
177.00664	0.9
177.05515	0.3
178.02666	1.9
178.06242	4.2
178.96469	0.4
187.02786	0.6
193.04968	7.4
193.08598	98.2
193.15881	1.2
194.08978	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	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03930	2.0
55.01870	4.4
55.05517	1.0
56.96561	0.8
57.03423	0.8
57.71449	0.6
65.03926	1.5
66.04711	1.0
67.05489	1.7
69.03419	1.8
69.07040	0.9
69.84100	3.9
72.76635	0.5
75.95908	0.7
79.05482	18.6
80.05012	0.7
81.03396	1.5
81.07037	2.8
81.31521	0.6
89.03892	0.8
90.04696	2.2
91.05467	11.1
93.07032	2.6
94.04151	1.3
95.04941	4.8
95.08608	2.0
97.02905	1.2
97.06487	0.9
102.04677	0.8
103.05458	19.3
103.94340	0.7
104.06255	1.6
105.03407	1.5
105.07016	100.0
106.07356	2.5
106.92697	0.6
107.04946	5.3
107.08578	2.2
109.06485	3.4
109.10149	1.1
111.04430	0.6
115.05440	23.2
117.07011	1.6
118.04146	15.9
119.04955	3.2
119.08575	4.3
120.05672	1.4
121.06511	4.1
121.10144	1.4
122.03601	0.9
122.07270	2.5
123.08040	1.9
124.05205	1.4
128.96312	1.0
131.04909	7.7
131.08505	0.7
132.05737	1.1
133.02870	5.1
133.06476	92.5
133.10051	3.9
134.06966	2.1
135.04414	2.3
135.08043	3.4
135.11685	0.7
137.05952	9.4
137.06941	1.0
143.04907	4.0
143.06052	3.0
146.97420	5.6
146.99460	0.7
147.04346	3.5
147.08020	1.6
147.11694	2.5
148.05199	1.0
149.02362	1.0
149.06010	4.7
150.03133	1.0
150.06729	7.8
151.03911	0.7
151.07506	2.7
151.11223	0.8
157.10173	1.0
158.72025	0.7
160.05165	2.1
161.05963	78.5
162.06381	1.4
163.03831	1.0
163.07513	0.8
165.05443	4.7
165.09099	14.1
169.99051	2.7
175.07536	6.1
175.11195	1.8
175.85672	0.7
178.02655	2.3
178.06270	2.2
193.04941	12.7
193.08585	33.7
193.12111	3.8
193.15944	0.7
194.78882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03930	3.0
55.01869	4.3
55.05515	4.3
56.96560	2.7
57.03431	1.4
57.07069	1.4
58.15870	0.8
65.03938	2.5
66.04703	1.3
67.05505	5.9
68.94346	0.8
69.03420	1.8
69.07052	2.8
69.50336	5.8
71.04992	1.3
77.03909	1.4
79.05490	18.8
81.03427	7.4
81.07054	7.9
83.04966	1.8
83.08594	1.0
90.04685	1.4
91.05479	17.1
93.07040	6.5
95.04965	8.1
95.08591	3.7
97.02854	1.0
97.06533	1.5
98.97579	3.4
103.05457	17.3
104.06237	3.7
105.03395	2.2
105.07027	100.0
106.07378	1.8
107.04971	4.1
107.08578	4.4
109.06504	3.5
109.10152	3.5
115.05447	17.9
116.98595	3.0
117.06986	1.8
118.04156	13.4
119.04935	1.3
119.08572	16.2
120.05692	1.4
121.06485	2.5
121.10139	2.8
122.07238	1.8
123.04431	0.8
123.08089	2.2
123.11683	2.4
124.05176	1.2
128.02283	1.0
128.96397	1.7
128.98520	1.2
131.04918	2.7
131.08542	1.7
132.05682	3.3
133.02869	4.8
133.06487	83.9
133.10109	8.6
134.07066	1.2
134.99664	1.5
135.04437	2.5
135.08052	4.1
135.11659	3.6
137.05997	7.2
137.09590	1.8
143.05003	1.3
143.06024	4.5
145.10147	1.2
146.06000	1.0
146.97444	11.1
146.99635	2.6
147.04381	3.1
147.08040	3.1
147.11690	8.9
148.07578	1.2
148.08658	1.1
149.02321	4.2
149.03394	1.0
149.06017	4.3
150.03120	1.7
150.06760	7.3
151.07527	1.5
151.11168	1.1
152.07085	4.5
157.10193	0.9
160.05099	1.4
161.05975	65.6
162.06183	1.0
165.05452	2.3
165.09091	7.8
169.99039	5.2
170.53833	1.1
175.03952	1.2
175.07539	1.7
175.11174	2.4
175.14767	2.4
177.00626	1.2
177.11349	0.9
178.02640	5.7
178.06248	2.1
178.96367	1.3
193.04956	20.4
193.08600	37.4
193.12271	5.8
193.14134	1.1
193.15894	3.8
194.08073	1.3
194.15302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35476	0.4
55.01841	0.9
55.83014	0.5
56.96560	3.6
63.92734	0.5
65.03922	0.9
67.05500	0.8
69.03424	0.8
70.51576	1.6
72.93760	1.2
73.02911	1.1
79.05479	1.0
81.03376	0.9
81.05772	0.5
83.04955	0.8
85.02904	1.0
87.02686	0.5
89.43752	0.4
90.94807	1.8
91.05477	1.7
92.05806	0.6
93.05785	0.6
93.07035	0.5
94.06590	0.5
95.04926	0.7
96.04487	0.4
96.27282	0.5
97.02890	1.1
98.97585	1.0
99.90016	0.6
100.34383	0.5
103.05488	0.9
105.03415	0.5
105.06993	0.7
106.06565	2.2
107.04935	1.0
107.06867	1.5
110.06074	0.7
111.04420	0.6
111.05543	0.5
116.98609	0.8
118.06563	3.0
119.01833	0.7
119.06861	1.7
120.08096	0.5
122.06009	1.6
123.04424	0.6
124.07570	0.6
127.03889	0.5
128.98616	1.4
130.06487	3.8
131.04912	0.9
131.97357	0.6
132.04453	1.4
132.95772	2.5
133.03044	1.4
134.06003	7.5
134.99690	0.5
135.06319	8.5
136.03949	0.6
136.07541	0.8
139.03894	1.8
140.04686	0.6
146.05977	8.9
146.07909	0.8
146.09677	0.5
146.97433	1.1
146.99635	1.8
147.04474	0.9
147.06323	12.5
148.03900	2.0
148.07576	3.0
149.02368	0.5
149.04710	3.1
149.96124	0.9
150.96881	9.6
156.06328	1.3
158.05994	4.6
160.03944	2.8
160.04982	2.8
162.05490	68.0
163.06120	100.0
164.03407	1.1
164.06876	1.5
167.97166	0.9
173.02794	2.4
173.06702	1.7
174.05490	3.4
174.07416	13.6
175.06218	43.6
176.07065	20.3
178.02539	0.6
184.69566	0.5
189.00635	0.5
191.97156	1.1
192.02902	1.0
192.06546	5.8
192.08716	15.3
192.10127	0.6
192.13840	0.5
192.17474	1.4
193.04968	1.9
193.09705	2.1
209.98279	0.7
212.18414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08344	0.2
53.03934	0.6
55.01876	0.2
56.05042	0.2
56.96563	0.4
57.03432	1.1
58.06594	3.8
58.99578	1.4
59.07375	2.6
60.08157	22.2
61.01144	17.8
61.02906	0.2
67.02973	0.2
70.62776	0.5
70.63113	0.3
72.00337	0.3
72.53533	0.2
72.93774	0.3
73.02912	0.4
74.99056	1.0
75.02699	1.9
77.00610	0.9
80.51145	0.2
85.01120	0.9
85.02419	0.3
85.02898	4.6
87.02682	26.7
89.04223	0.4
91.02173	0.6
91.05479	0.3
93.87916	0.2
98.47237	0.2
103.03996	0.2
103.05441	0.3
105.00083	2.5
105.03714	2.7
105.06995	0.2
107.04960	0.2
109.03163	0.2
112.25488	0.2
115.02168	0.4
119.04905	0.2
121.05187	0.2
121.06484	0.4
121.46626	0.2
130.06499	0.7
131.01855	0.2
131.04935	0.5
132.95854	0.6
133.03174	100.0
134.03522	1.0
134.05989	0.6
136.06157	0.3
146.06006	0.7
148.03912	1.4
148.07573	1.8
149.04701	0.4
149.05968	0.6
150.96870	1.2
158.06009	0.7
160.04985	0.5
161.02898	0.3
162.05544	0.7
163.06070	1.3
173.03003	0.3
174.07443	0.3
175.06197	0.6
176.07056	9.4
185.02954	0.3
192.06621	0.4
192.08875	0.5
192.10501	12.2
192.17331	0.3
193.04964	0.5
193.09644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03941	1.0
55.01860	1.2
55.05495	0.7
56.96559	2.7
57.07077	2.4
58.29464	0.7
65.03931	1.5
66.04719	1.2
67.05490	2.0
68.05001	1.3
68.90347	0.6
69.03419	1.2
69.07066	0.8
77.03921	3.9
79.05493	2.9
81.03401	0.9
81.07053	2.7
82.06570	0.7
83.06092	1.0
83.08621	0.9
85.02928	0.7
87.05560	0.8
87.38158	0.7
91.05473	16.7
91.06004	1.2
93.07034	1.7
93.80854	0.6
94.04176	3.2
94.06520	0.8
95.04955	8.4
95.06070	0.9
95.08599	1.3
98.97561	0.8
103.05466	1.7
105.03383	29.5
105.07020	9.3
105.20470	0.6
106.87462	0.6
107.04930	0.8
107.08592	1.5
109.06494	2.3
109.07652	2.0
109.10159	0.9
110.07160	0.7
111.04479	1.4
111.07979	0.7
112.74496	0.7
115.05453	2.2
115.09085	0.7
116.98607	0.9
117.06991	0.7
118.04158	0.9
119.04935	6.5
119.08584	9.5
121.06490	1.0
122.03642	4.9
123.04465	1.5
123.08040	1.2
128.02286	0.7
128.96367	0.8
128.98657	0.9
129.06956	1.1
131.04892	0.9
132.02122	3.0
132.05676	0.7
133.02844	100.0
133.06491	5.7
133.10120	1.6
134.03201	1.1
134.07130	1.0
137.05983	4.6
137.09541	0.9
146.06012	1.0
146.97427	9.8
146.99661	1.8
147.04399	7.1
147.06296	0.7
147.07974	3.2
147.11653	1.0
148.07549	1.3
148.08635	1.3
149.02309	0.7
149.05977	1.0
150.03113	13.7
150.05464	0.8
150.10194	0.9
151.03902	35.0
151.07436	1.0
160.01514	0.8
160.05072	0.8
161.02335	45.1
161.06038	4.5
162.02634	1.2
165.05450	11.0
166.09750	0.7
169.99034	3.8
175.03873	3.0
175.07529	3.1
175.11128	1.6
176.07011	0.9
177.00653	0.8
178.01146	1.1
178.02612	11.1
178.96446	0.9
193.04944	38.1
193.08556	2.9
193.10533	2.2
193.12259	5.1
193.14207	1.1
193.15886	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49714	1.8
53.03945	2.1
53.65099	1.6
55.01858	1.9
55.05489	5.6
57.07063	2.1
67.05491	10.5
69.03415	12.3
69.07057	10.1
70.17572	7.9
71.05000	2.0
79.05484	14.8
81.07051	14.1
83.04958	10.2
83.08601	3.6
91.05471	13.9
93.07033	17.1
95.04959	17.2
95.08598	21.8
97.06528	5.9
103.05433	5.4
105.07024	17.4
107.04945	5.1
107.08581	43.3
109.06487	8.1
109.10130	4.3
111.08053	3.1
117.07009	7.3
119.08548	8.3
121.06490	19.9
121.10130	37.8
123.08070	7.7
131.04874	3.4
131.08536	17.5
133.06436	2.1
133.10121	25.3
135.08035	16.7
135.11691	11.6
136.08731	1.7
137.09605	3.1
143.08536	4.8
145.10115	11.1
147.08157	2.5
147.11676	18.7
148.08804	8.3
149.09610	16.6
149.13219	13.9
154.22745	1.8
158.10895	8.0
163.07527	3.5
163.14801	10.1
173.13235	25.4
176.11967	2.0
191.07014	4.9
191.10648	3.1
191.14287	100.0
192.14674	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03922	2.0
55.01856	3.5
55.05513	10.0
56.96556	2.2
57.03427	1.4
57.06078	1.1
57.07053	3.0
57.67793	1.2
59.04978	1.2
60.32712	1.1
61.59793	1.2
65.03944	2.0
67.05495	9.5
69.03423	11.2
69.07060	11.6
71.04974	2.6
71.59383	1.7
72.93797	1.2
79.05482	15.3
81.07038	11.8
83.04974	12.3
83.08596	4.4
85.06515	1.6
91.05470	23.5
92.37781	1.1
93.07034	22.7
95.04971	6.7
95.08599	8.8
97.06530	5.5
101.82523	1.2
103.05459	40.1
104.61951	1.1
105.07018	29.4
106.93359	1.2
107.04935	6.4
107.08581	39.1
109.06508	7.7
109.07613	1.4
109.10149	7.2
110.06067	1.5
111.08054	1.4
115.05422	7.7
116.06216	2.5
117.07009	26.5
118.04114	1.8
118.06486	1.5
118.07816	1.2
119.04949	1.5
119.06042	1.2
119.08573	16.1
120.05638	1.4
121.06483	13.2
121.09305	2.2
121.10131	30.6
122.07048	1.1
123.08023	6.0
128.06253	1.4
129.06990	3.8
130.07761	3.2
131.04913	48.1
131.08551	28.5
133.06447	3.3
133.10118	49.3
134.06050	1.6
135.04431	1.2
135.08035	29.3
135.11674	10.3
136.08810	3.4
137.09557	3.4
143.08536	6.1
144.09343	2.1
145.06473	5.5
145.10115	24.9
146.05963	5.2
147.04372	2.4
147.08012	3.6
147.11679	12.2
148.05162	8.5
148.08701	2.2
149.05899	1.2
149.09598	30.6
149.13249	15.1
150.96910	1.5
155.08505	1.8
158.10890	10.1
159.04408	13.3
159.08003	1.8
160.05086	13.5
161.09616	3.1
162.05461	11.3
163.03856	2.1
163.07520	28.3
163.11157	3.9
163.14824	7.1
173.05898	2.4
173.07219	2.0
173.09590	5.2
173.13243	32.8
174.05464	2.5
174.91452	1.1
176.04657	17.1
176.11989	2.2
183.64552	1.4
191.03375	4.8
191.06978	41.5
191.10727	13.6
191.14284	100.0
192.10135	1.7
192.14693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05512	5.6
57.03430	2.3
57.07071	1.9
67.05503	7.6
69.03429	19.3
69.07062	7.7
69.55322	7.5
69.55672	1.6
71.04993	2.1
77.03925	1.4
79.05481	10.8
81.07053	13.0
83.04977	7.6
83.08617	1.5
85.06526	1.9
91.05478	11.3
93.07052	10.1
94.63604	0.8
95.04951	2.6
95.08591	5.9
97.06523	1.4
102.11966	0.8
103.05469	2.7
105.07021	20.9
107.04957	6.6
107.08593	34.9
109.06489	2.7
109.10132	8.8
115.05421	1.3
117.06982	2.9
118.07812	2.1
119.08574	7.9
121.06499	3.5
121.10140	23.1
122.07246	1.9
123.08047	3.6
129.07040	1.3
130.07788	0.9
131.08575	12.7
133.10126	100.0
134.10440	1.4
135.08057	8.8
135.11655	3.8
137.09616	11.8
143.08546	4.5
144.09341	1.5
145.10109	6.2
147.11684	7.0
149.09607	5.7
149.13255	14.5
151.22215	0.8
158.10913	8.7
161.09567	1.3
163.14809	3.6
173.13260	22.7
176.12021	1.5
181.83482	0.8
191.14296	50.2
192.14682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01548	0.5
53.03943	1.3
53.47556	0.5
55.05506	6.6
56.60890	0.4
56.96558	0.6
57.03429	1.7
57.07086	2.3
60.14943	0.5
64.57284	0.5
65.03938	0.9
65.15731	0.4
67.05503	7.5
69.03427	18.3
69.07068	9.8
70.71796	0.4
70.74182	1.3
71.04977	0.9
78.04782	0.5
79.05056	0.7
79.05495	10.4
81.03419	1.1
81.07051	10.7
83.04984	5.7
83.08613	2.0
85.06522	1.0
91.05470	8.8
93.07041	11.8
95.04962	4.8
95.08611	9.4
97.06521	2.2
103.05466	2.5
105.07027	17.4
107.04944	5.8
107.08591	29.3
109.06508	3.8
109.10155	13.4
111.08087	0.7
115.05436	1.9
117.07041	3.5
118.07751	1.0
119.08583	8.4
121.06503	6.2
121.10138	24.8
122.07259	1.9
123.08064	4.5
123.11700	0.7
128.06203	0.5
129.06993	1.5
131.04927	0.7
131.08566	14.6
133.10126	100.0
135.08049	8.1
135.11696	7.2
137.08620	1.0
137.09612	9.7
143.08537	5.5
144.09334	1.4
145.10126	8.9
147.08020	1.1
147.11664	7.2
148.08809	2.1
149.09607	6.3
149.12027	0.9
149.13251	17.1
158.10909	10.4
160.05095	0.7
161.09659	0.7
162.05493	1.1
162.10429	0.7
163.11166	0.6
163.14810	5.6
171.11674	0.8
173.13260	29.3
174.13568	0.8
191.07051	1.6
191.10663	1.4
191.14297	47.9
192.14487	0.9
203.24396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.38595	0.4
51.61430	0.3
53.03940	1.2
53.51078	0.4
55.01861	0.5
55.05505	5.4
56.96551	0.5
57.03423	2.5
57.07067	1.5
65.03931	0.8
67.05498	5.8
69.03422	22.6
69.07056	6.3
71.04999	1.1
71.33510	0.8
79.05485	9.4
80.05784	0.4
81.03423	1.3
81.07045	10.4
83.00420	0.4
83.04980	4.5
83.08617	2.6
85.06561	1.2
91.05470	9.1
93.07033	9.1
95.04949	2.1
95.08601	6.5
95.09156	0.6
97.06499	1.0
103.05460	1.5
105.04521	0.4
105.06299	0.8
105.07018	17.3
107.04976	3.5
107.08583	30.4
109.06499	2.7
109.10148	11.1
114.39967	0.4
115.05460	1.4
116.06211	0.4
117.07014	3.1
118.07769	1.0
119.06007	0.6
119.07771	0.3
119.08569	8.7
121.06498	3.6
121.10135	23.1
122.07288	1.6
122.10526	0.4
123.08054	3.8
129.06963	2.3
130.07755	0.7
131.04904	1.0
131.08554	13.2
133.10117	100.0
134.10497	1.3
135.08032	8.2
135.08986	0.7
135.11684	5.0
137.09593	10.1
142.07719	0.6
143.08557	5.0
144.09328	1.9
145.10110	8.4
147.08025	0.5
147.11665	4.9
148.05168	0.7
149.09622	5.1
149.13251	14.4
156.09381	0.7
158.10898	10.3
158.12204	0.5
159.11211	0.4
161.09595	1.0
162.05411	0.8
163.07527	0.7
163.14812	4.6
171.11745	0.8
173.13249	31.7
174.13589	0.9
180.56381	0.5
191.07033	1.3
191.10652	1.2
191.14285	40.1
192.14612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54007	1.2
53.03923	3.4
55.05507	6.5
57.07066	3.3
58.40245	1.4
61.22621	1.1
67.05507	6.3
69.03070	2.4
69.03423	28.9
69.07052	11.6
70.89078	3.5
71.04970	2.2
79.05475	12.2
81.03363	1.3
81.07053	10.1
83.04972	14.5
83.08593	3.2
91.05476	11.8
93.07030	11.7
95.04944	3.8
95.08599	6.9
97.06528	1.5
103.05473	1.7
105.07024	18.3
107.04941	5.9
107.08584	43.3
109.06494	4.9
109.10158	11.4
115.05397	2.0
117.07021	3.1
119.08564	10.4
121.06487	7.8
121.10131	31.1
122.07272	2.8
123.08041	5.6
129.06963	1.6
130.07762	1.3
131.08566	17.9
133.10117	94.8
135.08028	17.3
135.11668	5.0
136.08794	1.6
137.09619	13.2
143.08537	7.1
144.09305	3.7
145.10103	9.8
147.11671	9.2
149.09599	7.0
149.13234	16.7
150.77910	1.3
158.10901	11.9
161.09624	4.3
163.14792	4.8
173.13245	30.3
174.13574	1.5
176.11963	1.9
191.14285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	1.6
54.30190	1.2
55.01841	1.3
55.05494	3.9
57.03420	2.1
57.07082	1.5
67.05488	5.4
69.03067	2.1
69.03418	23.7
69.07048	5.3
69.58729	9.2
70.87854	1.1
79.05485	16.6
81.07053	15.5
83.04965	5.3
85.06537	1.6
91.05479	9.3
93.07037	11.7
95.04958	3.1
95.08586	5.7
98.21463	2.7
102.80600	1.4
105.07015	16.4
107.04941	8.2
107.08582	35.1
109.06505	2.6
109.10157	9.6
117.06959	2.4
119.08550	6.3
121.06496	3.1
121.10126	16.3
122.07269	1.8
123.08053	2.1
129.07014	1.6
131.08560	11.3
133.10110	100.0
135.08064	7.2
135.11679	4.9
137.09598	15.7
143.08537	4.3
144.09306	1.9
145.10104	6.0
147.11690	4.6
149.09590	4.4
149.13220	10.8
154.99689	1.3
158.10852	7.6
163.14766	5.1
163.33379	1.3
173.13254	24.2
191.14285	30.5
191.16006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
50.74839	0.9
53.03930	2.6
55.01856	2.5
55.05507	5.5
57.03429	1.3
57.07049	1.4
65.03922	2.3
66.04702	1.6
67.05487	5.8
69.03111	1.2
69.03425	10.9
69.07064	6.4
71.04978	4.0
71.59406	1.6
77.03909	1.4
77.29103	1.2
79.05486	18.2
81.07042	13.3
83.04976	8.6
83.08607	1.9
85.06541	1.9
90.04706	2.0
91.05469	33.2
93.06461	1.7
93.07027	21.0
95.04954	11.7
95.08606	6.8
97.06509	5.2
99.08046	1.2
102.04666	5.1
102.05412	0.9
103.05457	100.0
105.03398	8.6
105.07021	47.7
107.04933	11.3
107.08580	29.2
109.06487	7.6
109.10136	4.4
115.05434	10.4
116.06207	3.2
117.07002	15.0
118.03368	1.7
118.04154	24.1
119.04951	10.1
119.08562	13.1
120.05712	4.8
121.06504	14.3
121.10123	16.2
122.07249	2.0
123.08044	4.2
128.06177	1.5
129.06990	5.7
130.04138	10.2
130.07745	4.8
131.04918	72.2
131.08548	54.8
132.05647	4.4
133.02837	13.5
133.06468	7.4
133.10115	66.6
135.08032	20.4
135.11679	5.2
137.05966	1.8
137.09593	1.5
143.08543	6.4
144.05681	4.0
144.09351	1.5
145.06436	4.1
145.10098	34.2
146.03601	5.8
146.05989	1.3
147.04385	3.7
147.08031	3.9
147.11687	6.6
148.05180	46.4
148.08803	1.8
149.06050	5.6
149.08440	1.7
149.09592	9.5
149.13210	7.1
155.08459	2.2
158.07260	2.7
158.10933	7.9
159.04416	6.4
159.08064	20.4
160.05092	3.6
161.06026	2.3
161.09538	1.8
162.05510	5.3
162.10468	1.2
163.07530	73.3
163.11183	11.2
163.14766	1.2
164.07851	1.4
173.05997	5.9
173.09604	10.6
173.13239	28.1
176.04674	21.0
189.74733	1.2
191.06995	59.9
191.10672	36.0
191.14284	74.7
192.07472	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63372	0.6
51.64464	0.6
52.61774	0.6
53.03940	1.2
55.01854	2.9
55.05493	1.4
56.05026	1.0
56.96555	6.8
57.03436	3.2
57.07058	0.9
58.06592	0.7
59.04993	0.9
60.02110	0.7
60.08140	1.8
61.01126	2.2
61.02913	6.6
67.05484	1.3
68.99784	5.4
69.03410	5.9
69.07050	1.1
70.06580	1.6
70.83599	0.5
70.95831	0.5
71.01341	41.0
71.04980	1.1
71.58213	0.9
72.08197	0.5
72.93771	2.3
73.02901	6.1
74.06100	0.6
75.04467	30.2
79.05472	4.0
81.03402	0.9
81.04502	0.7
81.07055	1.7
83.00790	0.6
83.01299	0.5
83.04958	1.8
83.08592	0.7
84.08115	1.1
84.99246	1.0
85.02886	9.3
86.09678	0.7
87.02651	1.6
87.04454	3.2
89.02372	1.1
90.94814	1.9
91.05465	5.0
92.01336	0.6
93.07019	2.3
95.04943	1.4
95.08602	1.7
97.02901	3.2
98.01288	0.9
98.97554	4.6
99.00780	3.4
101.00746	0.9
101.02371	11.1
103.03925	35.6
103.05385	1.1
105.07000	1.9
105.37469	0.5
106.06512	3.2
107.04927	2.0
107.08577	4.0
108.95859	1.3
109.02873	1.2
109.06482	1.1
109.07629	1.7
109.10151	1.8
110.01247	1.7
110.06033	0.6
110.97542	1.4
111.02025	0.6
113.02336	2.6
116.98608	4.5
117.01836	11.2
117.05737	0.9
117.06997	1.4
118.06519	5.5
119.01816	3.6
119.03416	1.1
119.04877	1.1
119.08542	1.8
121.06493	1.6
121.10124	2.0
123.08057	1.3
125.01747	1.0
127.03874	1.4
128.02322	1.6
128.98560	3.0
129.06966	0.8
131.03381	22.9
131.08539	2.2
131.97424	1.7
132.95807	1.4
133.03172	8.0
133.04930	0.8
133.10124	3.7
134.05995	14.5
134.99625	4.2
135.08015	1.9
135.11705	0.6
136.07515	0.6
136.08681	0.8
140.02304	2.1
140.52426	0.6
141.01825	3.2
143.00082	0.9
145.05049	0.9
145.06450	1.2
145.07564	1.3
145.10127	1.9
146.02260	1.3
146.05984	22.4
146.99648	4.5
147.11661	1.4
149.01274	1.5
149.04446	7.7
149.09616	1.1
149.13231	1.8
149.96065	1.8
149.97159	0.7
149.98442	0.8
150.96835	5.3
155.06035	2.7
156.06732	1.2
158.10869	0.7
158.99634	1.2
159.02879	4.2
160.03816	0.7
160.04996	1.5
161.01195	1.7
161.02826	1.6
162.05473	100.0
162.99141	0.6
163.03836	1.3
163.05949	2.0
163.07408	0.9
163.08633	3.3
163.11087	1.2
164.05698	0.7
165.00645	1.0
167.02237	0.6
167.97134	3.3
170.99635	0.6
172.06302	1.3
173.01183	1.0
173.02922	0.8
173.07077	20.0
173.09399	1.1
173.13243	2.4
174.05482	23.1
175.06171	0.7
177.00697	2.9
189.00679	2.4
190.07664	0.8
190.98637	1.9
191.03430	1.6
191.05414	2.5
191.08179	15.3
191.10616	2.4
191.12820	1.0
191.14291	9.9
192.06424	1.2
192.10333	1.1
201.00757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0812
Annotation	10476-41-2
Peak:m/z	Relative Intensity
55.01864	0.5
56.96550	0.7
64.12587	0.3
70.10471	1.6
72.93802	0.4
79.05480	0.6
82.45499	0.3
91.05487	1.8
98.97548	0.7
106.06554	1.7
107.04932	0.4
107.08568	0.3
109.06432	0.3
116.98590	0.5
117.05688	0.4
118.06538	3.5
127.04042	0.3
128.98546	0.5
132.04399	0.4
133.10048	0.5
134.04982	0.8
134.05992	12.8
140.02158	0.4
144.04462	0.4
145.07594	1.1
146.05991	19.1
146.99641	0.5
150.96902	0.9
155.06012	1.8
156.06752	1.0
162.05479	100.0
163.03918	0.4
163.06120	1.6
163.08572	0.7
172.06326	1.7
173.01309	0.3
173.02849	1.3
173.07082	21.6
174.05481	24.8
175.06204	1.1
191.08131	13.9
191.14265	0.7
192.06555	0.4
192.08485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.9
56.96553	1.3
57.07061	2.0
67.05489	1.1
69.03132	0.9
69.03428	10.5
69.07047	0.9
69.88274	4.7
72.08146	1.0
79.05463	2.1
81.07044	1.6
83.04974	1.8
85.02894	1.3
85.06528	1.5
86.09682	1.2
91.05463	9.8
93.07005	1.8
95.04952	2.0
98.21434	1.1
105.07017	18.5
107.04914	2.2
107.08558	2.6
115.05429	2.1
117.07036	4.8
119.08571	20.4
121.06520	1.5
121.10132	1.1
128.06200	5.4
129.05458	1.1
129.06995	5.8
130.07794	4.9
131.08565	8.2
133.06470	3.3
133.10139	7.7
141.06979	12.2
142.07722	1.4
143.08525	7.3
144.08147	1.2
144.09308	4.7
145.06471	3.3
145.10103	21.0
146.10835	1.8
147.07990	9.9
147.11664	17.2
148.08578	1.1
149.09488	1.5
155.08539	3.2
156.09326	70.1
157.06502	1.5
157.09712	1.4
159.08055	6.2
159.11681	18.1
160.08792	2.3
161.05965	2.7
161.09602	4.0
161.13242	3.8
162.05371	1.0
171.11668	81.1
172.11969	2.0
174.06754	2.4
174.10374	11.5
189.05402	1.9
189.09143	8.2
189.12717	100.0
190.04950	1.4
190.12965	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99080	0.5
55.05495	0.7
56.96565	0.5
57.07069	23.6
59.99104	4.8
59.99391	0.5
60.42326	0.2
62.99062	0.6
67.00128	0.2
67.05511	0.4
69.03415	0.8
69.07066	0.4
70.72474	0.6
70.72845	0.5
78.00144	40.5
79.05479	1.0
81.07052	1.0
84.08126	0.7
86.09697	9.9
88.02213	0.7
91.05475	0.8
92.01679	1.2
93.07030	0.9
95.08588	0.6
103.05464	0.2
105.07030	0.9
107.04958	0.7
107.08594	1.6
108.33032	0.3
109.06507	0.3
109.10116	0.4
116.05298	0.7
117.06976	0.5
119.08556	0.6
120.04473	0.4
120.08875	0.3
121.10120	0.5
131.08554	0.5
133.10141	1.3
134.06335	46.7
135.06665	0.8
135.08035	0.6
135.11708	0.3
137.44894	0.2
140.14265	0.3
143.08604	0.2
144.08121	0.3
145.10075	0.6
147.11690	0.3
148.07874	3.1
149.13280	0.4
162.05469	0.5
172.07565	0.3
172.11562	0.5
173.13239	0.7
190.12581	100.0
191.06989	0.5
191.10640	0.9
191.12849	2.1
191.14389	2.0
194.18340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01859	1.0
55.05503	4.1
59.04995	0.6
62.47850	0.6
65.03925	1.0
67.05489	4.1
69.03075	0.8
69.03423	11.5
69.07057	3.7
70.91180	1.4
79.05487	5.3
81.03416	0.8
81.07051	3.9
83.04967	2.4
91.05465	10.5
93.07043	4.9
95.04957	3.6
95.08585	1.3
97.06485	0.9
103.05460	0.7
105.07014	23.0
107.04945	1.6
107.08571	5.3
109.06490	2.1
109.07591	1.0
111.25574	0.6
115.05428	1.4
117.07024	3.6
119.04912	2.4
119.08564	46.0
120.08871	0.9
121.06481	3.6
121.10128	2.0
123.08079	0.6
128.06207	3.4
129.07036	3.6
130.07787	1.1
131.04854	0.6
131.08546	12.4
132.05722	1.0
133.06483	4.9
133.10109	18.5
135.08022	7.2
141.06993	3.2
142.07739	1.2
143.08545	4.7
145.06493	4.3
145.10109	5.4
146.07222	1.4
146.10867	1.7
147.08022	21.5
147.09203	1.1
147.11664	19.1
148.08488	0.7
155.08531	1.2
156.09331	17.9
159.08028	21.5
159.11681	2.8
160.08817	7.5
161.05965	2.0
161.09605	11.9
161.13242	25.5
162.13576	1.2
166.20341	0.7
171.11661	20.1
171.13132	1.2
172.12071	0.8
173.09538	1.0
174.10371	40.0
187.11169	0.6
189.09242	2.9
189.12714	100.0
190.04932	4.2
190.13074	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
69.03419	7.3
69.07064	1.6
69.74911	2.3
69.75318	3.8
75.06358	0.9
79.05500	5.1
81.07036	2.9
83.04988	1.3
83.63181	0.9
91.05478	9.4
93.07030	1.5
98.21430	1.1
103.05431	1.0
105.07027	17.3
107.08581	3.0
109.06463	1.7
114.93625	1.0
115.05402	2.1
117.06998	4.5
119.04852	1.2
119.08570	25.1
121.06502	3.5
127.18970	0.9
128.06215	4.3
129.06984	3.7
130.07774	4.8
131.08574	7.5
133.06508	5.2
133.10106	10.1
135.08014	2.3
141.06989	10.2
143.08557	7.5
144.09334	2.4
145.06505	3.1
145.10104	16.3
146.07129	1.5
146.10883	1.3
147.08035	9.9
147.10632	1.5
147.11678	17.1
149.85318	1.0
155.08539	2.8
156.09340	57.5
157.09689	1.1
159.08049	12.3
159.11674	13.1
160.08800	3.8
161.09624	3.6
161.13225	7.5
171.11674	72.8
172.12039	1.5
174.10391	18.4
189.12730	100.0
190.13126	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	189.1232
Annotation	gamma-glutamyl-isopropylamide
Peak:m/z	Relative Intensity
52.63710	0.3
55.01873	0.9
55.94609	0.3
56.05033	1.2
57.03436	1.3
58.06589	0.8
59.07378	0.3
60.08161	50.5
61.02946	0.3
61.08490	0.5
67.05498	0.8
69.03425	1.6
70.06586	5.2
70.46862	0.4
70.47209	0.8
71.01346	0.3
72.08152	2.1
73.02912	0.7
74.07188	0.5
77.00913	0.4
81.03410	0.4
84.04501	11.6
84.08141	18.1
85.02901	20.4
85.06539	0.4
86.09705	1.8
87.04451	1.4
88.03977	0.5
94.92978	0.4
95.01340	2.2
98.91940	0.2
98.97620	0.4
99.04449	0.4
100.07625	3.1
101.00935	0.3
101.02380	0.8
102.05537	9.9
112.03954	2.1
112.07611	1.0
113.02395	0.7
113.07076	0.4
115.03920	0.7
116.07077	0.7
119.01853	0.6
126.09137	2.3
129.10226	0.8
130.04999	100.0
130.08630	6.9
131.05344	0.9
131.96129	0.8
133.05223	0.5
134.99649	0.6
139.00230	0.3
144.08130	0.7
144.13861	0.6
146.05846	0.3
149.97134	0.4
156.09319	0.3
157.01299	0.5
160.07585	0.4
161.02986	0.3
162.09160	0.6
172.07561	0.9
172.09630	1.6
175.06224	0.5
185.02895	0.7
189.07362	0.3
189.12114	3.4
189.13608	1.0
189.15952	2.1
190.08583	0.5
190.14310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1232
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01855	0.7
55.05483	0.7
56.05020	0.8
56.96553	2.3
57.03431	1.0
57.05809	0.4
57.50468	0.2
58.06587	0.7
60.04518	0.4
60.08155	3.6
61.01126	0.2
61.02921	0.5
65.03914	0.4
67.05482	0.8
68.99792	0.5
69.03423	2.5
69.07057	12.8
70.06585	1.5
70.07378	0.3
71.01325	0.2
71.04970	0.4
71.58385	0.3
72.08148	0.6
73.02902	0.7
73.04826	0.2
79.05487	0.3
81.03401	0.5
81.07017	0.2
83.04967	1.0
83.06103	0.3
84.04491	6.4
84.08132	2.5
84.96019	0.3
85.02891	1.9
85.04815	0.4
85.06541	3.7
86.09692	100.0
87.04446	0.5
87.10029	1.0
90.94815	0.3
91.05462	0.5
95.04975	0.3
97.02894	0.3
98.97577	1.1
99.04459	0.5
100.04023	0.2
101.02348	0.8
102.05541	0.6
102.09169	2.0
105.07030	0.8
105.69668	0.2
109.07635	0.3
111.04431	0.4
112.03934	0.3
112.07571	0.3
114.09108	0.2
115.03907	0.8
115.05478	0.3
116.98592	1.6
117.01867	0.3
119.01901	0.5
119.08550	0.7
126.09212	0.2
128.06229	0.3
128.07101	0.3
129.05469	0.5
130.04985	4.3
130.08627	0.4
132.95839	0.2
133.06487	0.3
133.10141	0.5
134.06110	0.3
134.99631	2.6
143.03358	0.2
143.08604	0.2
143.11786	0.8
144.08078	0.4
144.10179	1.8
144.13834	0.6
146.96173	0.2
146.97325	0.3
146.99597	0.4
147.08026	0.4
147.11673	0.4
147.96892	0.5
148.08650	0.4
148.09692	0.5
148.97441	0.3
149.09418	0.3
150.96877	0.5
153.00764	0.6
156.09364	0.5
157.01277	0.6
158.99779	0.2
159.08089	0.3
160.07584	1.5
161.04758	0.2
161.05963	0.5
161.07109	0.3
161.13263	0.2
162.05524	0.4
162.10294	0.5
165.00624	0.4
165.97859	0.4
166.00240	0.3
171.11690	0.6
172.09653	2.7
189.04004	0.4
189.05397	0.5
189.06903	1.0
189.09129	0.5
189.11230	0.2
189.12598	2.1
189.16057	0.4
190.08731	0.3
190.98651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03930	0.8
55.01866	0.7
55.05516	2.1
56.96540	1.1
57.03405	0.6
61.02913	0.6
64.62711	0.5
65.03919	0.5
67.05489	1.1
69.03416	5.6
69.07050	1.1
71.04977	0.6
71.59227	0.7
79.05493	2.3
80.55367	0.5
81.03410	0.7
81.07032	1.4
83.04961	1.9
84.04466	0.5
85.02888	0.8
85.04794	0.5
91.05471	24.5
93.06989	2.2
95.04968	2.4
95.08588	1.2
100.42551	0.5
103.05446	4.0
105.03411	0.8
105.07023	17.0
107.04940	3.4
107.08573	2.0
109.06490	1.2
109.10208	0.5
111.04422	0.6
115.05438	4.1
116.06216	2.7
117.07001	4.4
118.04144	1.4
118.07767	0.9
119.04928	4.6
119.08567	14.2
121.06486	7.2
121.10124	0.8
128.06212	19.3
129.06992	42.0
130.07860	3.0
131.04918	11.9
131.08549	16.7
132.05653	1.5
133.02905	0.9
133.06485	5.7
133.10114	8.8
135.08029	0.8
141.06982	1.3
142.98615	0.6
143.08546	5.3
144.05670	2.4
145.06471	8.7
145.10106	3.6
146.03601	1.4
146.07251	16.5
147.04422	0.8
147.08028	8.9
147.11670	5.4
148.05167	7.3
148.08798	0.6
149.09573	1.7
155.06042	1.5
156.05707	1.2
156.09337	7.8
157.06473	17.8
158.07272	5.5
159.04385	3.4
159.08049	4.2
159.11649	1.5
160.08810	1.9
161.05968	48.7
161.09596	56.3
161.13203	3.8
162.06297	1.1
162.09979	1.4
171.04417	0.7
171.07997	1.9
171.11671	8.4
173.05963	1.4
174.06749	39.8
174.10323	6.2
175.07140	0.6
189.05455	2.0
189.09088	100.0
189.12675	21.7
189.16281	2.8
190.09375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05497	2.2
56.96557	0.9
57.03011	0.6
57.03409	0.9
61.02898	1.0
63.59133	0.6
67.05502	1.6
69.03422	5.1
69.07052	1.3
69.36665	6.0
71.04977	1.2
79.05492	4.0
79.51763	0.6
81.03387	0.8
81.07037	1.5
83.04968	1.9
85.02901	1.0
90.04610	0.6
91.05476	26.3
93.07024	2.5
95.04959	1.7
95.08550	0.9
99.04485	0.6
103.05473	4.2
105.03390	0.6
105.07024	20.7
107.04948	6.3
107.08553	1.1
109.06480	1.2
111.04439	0.8
115.05466	3.9
116.06248	3.0
117.07006	4.7
118.04157	1.9
118.07765	1.7
119.04948	6.6
119.05801	0.7
119.06174	0.5
119.08576	12.6
121.06499	10.4
121.10163	0.9
128.06226	21.0
128.07124	0.7
129.06999	39.6
130.07826	2.9
131.03993	1.2
131.04929	13.0
131.05878	0.7
131.08566	12.5
132.05641	2.0
133.02902	1.3
133.06488	5.5
133.10118	6.9
137.52721	0.6
141.06975	2.0
143.08539	5.6
144.05699	3.0
144.08051	0.9
145.06464	8.4
145.10080	5.5
146.03598	2.7
146.07246	22.2
146.11012	0.7
147.04372	0.9
147.08037	6.1
147.11674	6.0
148.05186	10.5
148.08684	0.7
149.09593	2.1
153.83354	0.6
155.05952	1.9
156.05666	2.0
156.09357	8.3
157.06483	11.9
158.07224	2.6
159.04420	2.2
159.08035	7.0
159.09251	0.9
159.11687	1.1
160.08803	2.1
161.05975	64.8
161.09605	75.9
161.13217	4.5
162.06387	1.5
162.10019	1.3
165.59488	0.7
171.08029	2.1
171.11690	8.8
173.05974	1.4
174.05212	1.1
174.06754	26.8
174.10367	7.1
189.05441	2.9
189.09091	100.0
189.12682	24.9
189.16385	2.2
190.09381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.02379	0.2
56.05022	0.3
56.96559	0.3
60.04512	0.3
60.86560	0.3
61.02927	0.4
63.89569	0.2
69.03429	0.3
69.42841	2.3
71.04984	0.4
79.05481	0.4
82.06577	0.4
83.04968	0.4
84.04494	3.0
85.02888	0.7
87.04495	0.3
91.05465	4.7
95.04953	0.2
98.21503	0.6
103.05451	0.6
107.06046	0.2
110.06039	0.4
115.05437	6.1
116.06273	0.4
117.05788	1.6
117.07011	4.7
118.06527	71.6
119.06848	1.4
121.06595	0.4
124.07573	0.4
125.05980	0.7
126.05534	0.3
128.06203	0.3
132.08063	1.0
142.06497	6.2
142.12047	0.3
142.13162	0.2
143.07288	12.1
144.04445	0.9
144.08063	24.9
145.06503	0.7
145.08368	0.4
146.05988	100.0
147.06355	1.8
153.05403	0.6
155.06021	0.8
160.07520	1.4
160.09644	0.5
170.05988	8.6
170.08118	0.5
171.06377	0.3
188.07043	21.5
188.08788	0.7
189.07434	0.5
207.29387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01353	0.5
53.06419	0.6
55.05498	1.9
55.57991	0.6
56.05021	2.1
56.96548	1.1
57.03426	0.6
57.04555	5.9
60.04517	2.5
60.05638	1.0
61.58118	0.6
64.56551	0.5
70.06581	1.3
71.20424	1.0
72.04507	12.5
72.08150	21.5
73.04058	0.6
74.07196	2.0
81.03386	0.6
82.60237	0.6
84.08140	0.8
85.09849	0.6
86.06062	1.3
87.05555	1.0
90.70375	0.6
94.29726	0.5
98.06060	0.7
98.97589	0.8
102.96331	0.6
103.16688	0.5
106.71145	0.5
110.05972	0.8
113.10757	23.1
114.09155	100.0
115.08683	3.8
115.09490	1.4
116.07076	1.4
119.01901	1.7
121.01711	0.6
128.07080	1.1
128.11827	0.6
129.10234	11.2
131.01866	0.6
131.11792	22.8
141.10191	0.8
154.58229	0.6
156.10081	0.8
156.11314	13.6
170.11559	1.0
170.12889	12.1
184.02882	0.5
187.10837	1.1
187.15527	39.3
188.09071	0.7
196.02028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95957	0.3
55.01859	0.5
56.05015	0.6
56.96551	0.8
57.03416	0.3
61.02916	0.4
67.05529	0.5
69.03408	0.8
70.02949	0.3
75.35018	0.3
76.21384	0.3
79.05471	0.8
81.03395	0.6
82.06579	0.3
83.01319	0.4
83.04966	1.0
84.04493	5.6
84.08146	0.5
85.02895	1.6
91.05470	5.7
95.04957	0.8
98.06064	0.4
103.05474	0.8
105.06988	0.4
107.04948	0.9
110.06013	0.5
115.05438	6.7
115.25163	0.3
116.98569	0.5
117.05800	2.2
117.07005	5.0
118.06527	75.3
119.06863	1.4
123.04363	0.5
124.07581	1.1
125.05980	2.4
128.07082	0.8
132.08067	0.5
142.06506	6.4
142.08591	0.5
143.07292	13.3
144.04419	0.9
144.08066	24.3
145.06480	1.6
145.08417	0.9
146.05989	100.0
147.06351	2.0
152.07042	0.6
153.05447	1.1
155.06032	0.9
160.07568	1.4
170.05986	9.6
170.08125	0.7
171.06512	0.8
188.07057	19.1
188.09108	2.3
188.10622	0.6
189.07455	0.6
192.08444	0.4
202.09752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55088	0.6
55.05497	1.2
56.05025	1.5
57.04549	6.7
60.04512	3.3
68.42374	0.6
70.06583	1.5
71.57944	0.6
72.04507	13.8
72.07736	1.2
72.08147	24.3
74.07192	1.6
88.25481	0.7
97.07613	0.7
98.06060	0.7
99.74687	0.7
101.91122	0.6
113.10751	26.3
114.09152	100.0
115.08665	4.3
115.09444	1.4
116.07107	1.2
125.14825	0.6
128.91202	0.7
129.10219	11.1
131.11783	23.3
156.11293	11.5
168.24197	0.7
170.11577	0.8
170.12878	10.3
187.07910	0.8
187.15515	35.9
188.15807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.05502	0.9
56.96550	1.2
57.54977	0.3
59.06087	0.4
61.02924	0.4
61.09369	0.3
61.97890	0.4
66.61110	0.4
67.05504	1.9
69.03420	3.3
69.07092	0.5
69.93909	2.2
71.04984	0.5
79.05495	0.6
81.03400	1.5
81.07033	1.5
83.08620	0.6
84.04496	2.2
85.02878	1.5
87.04414	0.5
88.02209	2.3
88.78116	0.4
91.05470	3.6
93.07051	0.6
95.04964	0.4
95.08574	0.6
97.02875	0.8
99.04427	0.6
103.05444	0.5
105.07024	5.9
109.02858	0.5
115.05444	1.2
116.06210	1.3
117.07014	4.1
119.01863	0.4
119.08573	11.7
121.06399	0.5
127.03946	0.7
128.06236	2.5
128.07051	0.7
129.06999	11.1
130.07750	1.8
131.04898	0.6
131.08562	9.9
141.06984	1.4
142.07793	0.8
143.08595	1.9
144.05722	2.6
144.09331	18.3
145.06465	1.5
145.10120	3.1
147.07961	0.7
154.07764	1.3
155.02261	0.5
155.14082	0.4
157.06512	1.2
157.10135	1.7
158.07237	0.6
159.06824	0.7
159.08070	3.9
159.11687	30.4
160.12025	0.8
169.10120	2.2
171.07997	0.7
172.05211	1.2
172.08826	10.5
173.00827	0.7
173.54964	0.4
179.28391	0.4
185.09521	0.5
186.10471	0.7
187.07590	5.7
187.11169	100.0
188.11533	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03941	0.6
55.01867	0.9
55.05510	2.5
56.96562	10.6
56.97873	0.6
57.07068	38.2
58.07417	0.6
58.60747	0.5
67.05492	3.7
69.03420	2.0
69.07063	4.7
71.59253	1.2
71.95258	0.7
79.05470	3.4
81.03404	1.9
81.07037	2.7
83.08604	1.1
84.04501	2.8
85.02882	1.5
88.02206	3.6
91.05477	6.0
93.07033	1.1
95.04942	0.9
95.08596	2.0
99.04449	0.9
103.05458	0.8
104.90798	1.0
104.99259	0.8
105.07025	14.7
107.08563	2.9
114.05481	0.5
115.05456	0.9
116.06210	1.2
117.06996	7.3
119.08546	3.2
127.03918	1.0
128.06187	1.0
128.07031	1.1
129.06969	3.0
130.07759	7.7
131.08553	31.6
135.05688	0.6
136.04591	0.6
137.06059	0.8
137.98303	0.7
141.05531	0.6
141.06862	0.7
141.13684	0.6
143.08553	8.1
144.09306	1.9
145.10106	100.0
146.10423	3.1
154.06476	0.9
155.03795	0.7
156.09326	0.7
157.10110	5.4
158.10919	2.3
159.08084	0.8
159.11684	6.2
163.06879	0.6
164.92950	0.8
166.08212	0.6
171.03185	0.6
171.11676	2.3
172.08832	1.5
172.12445	12.3
173.00827	0.8
173.04846	1.0
175.08801	1.2
182.93907	0.6
187.07558	1.1
187.11259	4.5
187.14803	55.7
187.22426	0.8
188.07033	0.8
188.09183	0.7
188.15073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80937	3.3
53.03923	4.6
55.01857	11.8
55.05494	9.3
55.93533	22.7
55.94595	11.6
56.05029	6.1
56.94286	7.0
57.03440	8.3
58.06589	6.6
60.04501	3.5
61.02920	4.3
63.39751	3.3
67.05473	5.5
68.05022	9.0
69.03415	18.2
69.07057	5.4
70.06575	15.3
70.95828	6.8
71.01344	4.4
71.04969	6.4
71.57983	4.6
71.92968	4.1
71.94077	4.4
72.04491	7.5
72.08156	3.8
72.34898	3.5
72.93776	26.8
73.02903	4.0
73.14110	3.8
73.95672	3.3
74.02431	3.6
80.05025	6.6
81.03415	17.1
82.06564	9.6
84.04482	30.2
84.08137	5.0
85.02416	6.0
85.02895	69.6
86.06055	11.9
86.09691	8.4
88.02195	3.6
89.95115	4.7
90.94805	18.1
96.04445	9.8
97.02876	10.4
98.06035	24.1
98.98448	14.3
99.00790	4.0
99.04430	7.7
100.03961	6.4
107.95065	4.5
108.01648	3.6
108.04454	6.7
108.31083	3.4
108.95854	10.4
109.02843	8.0
110.06010	10.9
112.02186	7.4
112.07594	8.7
113.04745	4.8
113.96397	7.7
114.05517	100.0
116.07082	5.4
119.01901	11.1
120.01994	4.3
121.00844	3.7
121.01656	14.6
122.05993	11.7
123.04370	4.9
123.94588	5.9
125.96106	12.8
126.05507	64.5
127.03872	11.8
128.07086	5.2
130.06473	4.2
130.12244	4.0
131.96126	6.0
131.97409	8.4
132.95836	11.2
137.02914	7.5
138.05481	9.0
139.01732	4.7
139.02702	8.7
140.07068	24.2
140.10664	5.3
140.99371	3.9
143.96140	8.6
144.06543	10.0
144.95807	17.0
149.97185	9.7
150.96829	11.7
154.02150	9.9
156.06569	8.8
158.08086	6.5
161.97151	17.9
162.96877	20.6
168.06526	8.8
173.00769	13.8
181.02808	4.6
186.06125	5.2
186.07608	77.7
186.09059	3.5
186.11255	12.1
186.18529	7.3
186.96820	5.2
187.08000	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	185.1535
Annotation	Speciosin J
Peak:m/z	Relative Intensity
51.04894	1.3
55.01861	13.7
55.05265	1.6
55.05508	18.2
56.96544	5.1
57.03429	33.8
57.07061	4.6
59.04996	2.8
60.81705	1.3
60.95839	4.2
65.03934	2.1
65.52359	1.5
67.05496	38.6
69.03412	6.8
69.07063	16.5
70.72495	3.4
71.04990	10.2
73.06516	1.4
79.01836	4.0
79.05478	16.6
81.03405	2.0
81.07047	32.9
83.04949	2.8
83.08607	12.7
84.04490	5.1
85.02898	8.0
85.06531	39.1
91.05490	4.4
93.07033	41.0
94.07352	1.5
95.04949	9.0
95.08598	95.1
96.08932	1.9
97.02864	4.9
97.06521	100.0
97.10138	2.7
98.06010	2.1
98.97572	2.3
102.96858	13.2
105.06996	4.3
107.01307	24.6
107.07855	2.2
107.08577	40.8
109.02862	2.6
109.06522	2.8
109.10143	10.6
111.04443	1.7
111.08043	8.7
113.09657	2.9
114.05518	13.7
116.98636	1.9
120.97887	17.4
121.00771	1.8
121.01608	1.7
121.10130	22.3
122.06049	1.6
123.04428	12.8
123.11723	13.0
125.02340	23.2
125.05999	2.0
125.09564	2.4
126.03128	40.1
126.05497	11.0
127.03899	4.1
128.06218	4.0
129.06969	5.1
134.99628	2.9
135.00659	2.1
137.97041	1.5
138.98923	29.9
139.01828	8.7
139.02702	1.4
140.07054	3.1
141.05472	2.5
142.07753	6.3
143.03386	2.7
143.08530	5.8
144.68651	1.5
149.13240	67.7
150.13574	3.0
153.01819	63.3
154.02194	2.9
155.08499	3.9
157.00035	6.5
157.10085	4.5
162.00520	4.4
163.01822	4.3
167.07018	1.7
167.14314	17.4
168.06519	1.7
170.10876	4.7
171.02881	17.4
180.05257	2.2
181.02856	12.5
185.04425	5.8
185.07106	3.3
185.09544	5.3
185.13246	8.8
185.15324	4.6
186.07613	7.0
186.18488	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	185.1535
Annotation	Chokol G
Peak:m/z	Relative Intensity
53.03936	2.5
55.01868	8.6
55.05504	10.4
56.96552	5.3
57.03426	17.7
57.07058	2.9
60.95828	1.9
61.02940	1.2
61.68516	1.2
65.03934	2.4
67.05496	23.2
69.03416	7.1
69.07066	7.5
70.06586	1.3
71.04985	7.2
71.20671	3.1
79.01839	6.9
79.05483	13.2
80.05017	1.7
81.03391	3.3
81.07045	17.9
83.04967	2.3
83.08596	5.8
84.04476	3.7
85.02899	9.0
85.06535	19.3
87.04501	1.2
89.03893	3.9
91.05461	5.0
93.07031	22.6
95.04955	15.4
95.08598	45.5
97.02887	7.9
97.05910	2.6
97.06521	45.8
97.07137	2.6
98.06017	3.2
98.97540	1.8
102.96837	6.2
105.07015	4.2
107.01303	42.1
107.02034	2.1
107.08578	21.9
108.02129	2.3
109.02892	1.9
109.06490	1.4
109.10124	6.3
111.08047	5.1
113.09691	1.8
114.05533	13.8
115.64091	1.1
116.98584	2.8
117.03352	3.5
119.01881	4.7
120.97892	8.8
121.10130	9.5
122.07563	1.2
123.04421	22.8
123.11718	8.6
125.02340	34.3
125.05968	1.6
125.09650	1.9
126.03120	56.3
126.05485	8.7
127.03959	5.9
128.06155	2.4
129.06921	3.8
134.99644	3.9
135.00731	2.7
138.05498	2.1
138.98929	13.7
139.01826	5.1
139.11154	1.1
140.07034	2.8
141.05450	2.3
141.07092	1.9
142.07755	5.4
143.03362	4.0
143.08514	4.9
144.06543	2.5
145.02794	6.1
149.13239	29.0
153.01811	100.0
154.02148	3.1
155.08482	1.7
156.99986	3.6
157.10101	5.2
158.05945	2.1
163.01764	3.4
167.14337	9.3
170.10889	4.1
171.01558	0.8
171.02870	24.4
181.02887	11.5
185.04483	6.8
185.06963	1.7
185.09599	4.0
185.13248	6.3
185.15182	2.5
185.20036	1.5
186.05457	1.2
186.07603	6.8
186.18575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0444
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
51.02384	1.2
53.00319	0.4
53.03940	1.1
53.13840	0.4
55.01859	2.2
55.05502	1.1
59.06113	0.4
65.03931	1.5
67.05502	7.0
68.99771	0.6
69.03433	3.4
69.71371	0.4
70.06557	0.5
70.43317	1.5
77.03911	0.6
78.47112	0.4
79.01849	7.7
79.05498	0.4
81.03407	1.5
83.01364	0.5
85.02918	0.8
86.09735	0.5
93.35497	0.4
95.04359	0.7
95.04965	11.5
95.05552	0.8
97.02880	6.7
97.06525	0.3
98.97624	0.4
105.03396	1.2
107.01312	37.9
108.02156	1.8
109.02894	1.8
111.04453	0.6
111.08049	0.5
114.05527	0.7
118.56207	0.4
119.79583	0.4
120.97939	0.4
121.10179	0.5
123.04426	19.8
124.04774	0.5
125.02348	35.6
125.09569	0.6
126.03132	59.0
127.03993	3.0
135.00760	4.3
139.03909	0.6
140.68657	0.4
141.05434	2.1
143.03401	3.9
152.74289	0.4
153.01823	100.0
154.02168	1.5
160.63965	0.4
167.03432	0.5
171.02885	20.8
177.22272	0.4
185.00670	0.5
185.04462	8.6
185.06093	0.3
185.07013	0.5
199.37682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0967
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
52.92937	0.6
53.03954	1.3
55.01871	3.6
55.05520	2.0
56.05037	2.5
56.96559	4.0
57.07065	5.7
58.06598	1.4
59.06115	1.7
65.03943	2.1
67.05492	19.5
68.05021	2.2
69.03417	1.0
69.07054	4.3
70.06588	3.5
71.04997	1.1
72.04520	2.6
72.08160	1.7
72.93793	1.5
73.02921	2.6
74.06091	0.8
75.59371	0.6
79.01867	0.8
79.05486	2.5
80.05045	1.6
81.03433	1.0
81.04526	1.6
81.05795	1.7
81.07053	3.4
82.06581	2.4
83.04982	1.3
83.06118	2.4
84.04497	2.4
84.08149	2.2
85.02890	1.5
85.06528	2.6
85.07657	1.3
86.06081	1.1
86.09691	8.1
93.07011	0.9
94.06557	2.5
95.04955	29.1
95.06101	2.2
96.04490	2.6
96.05273	2.0
96.06893	0.7
96.08121	10.3
97.02891	1.4
97.07643	2.2
98.06059	2.0
98.07169	1.6
98.97576	0.8
99.05569	1.3
101.00899	1.7
102.09163	0.9
105.03343	0.8
106.97243	0.7
107.01283	4.5
107.04955	0.9
109.02819	0.8
109.05243	0.7
109.07662	3.8
110.06042	2.3
110.07137	0.9
111.04420	0.9
111.05547	0.7
111.09169	1.6
112.03907	0.8
112.07596	3.5
113.05979	5.3
113.07131	0.8
114.09200	0.6
116.98619	1.4
119.01909	22.4
120.02071	1.0
121.07617	1.5
123.04422	2.3
124.07571	100.0
124.99966	2.1
125.02325	5.9
125.07092	2.3
125.07954	1.8
126.03116	7.1
126.05530	0.9
127.08643	1.0
130.08597	1.0
131.07008	5.5
131.97406	1.3
134.99686	1.8
137.02942	12.4
138.02884	0.9
138.05466	1.5
138.09114	2.3
138.98987	0.9
140.07028	1.2
142.03468	5.0
142.08615	10.1
148.04752	0.8
153.01813	10.5
156.10124	1.8
160.04523	2.5
160.09662	0.9
161.02879	2.0
161.04764	0.8
166.04854	0.8
166.08568	7.9
166.09700	1.6
167.08093	1.6
171.02837	2.0
179.03976	1.9
184.04590	1.0
184.05977	1.2
184.07298	2.6
184.09625	39.3
185.04349	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.26696	0.3
56.05025	1.5
58.06611	1.1
60.08158	19.0
69.32352	0.4
71.07365	12.5
77.06837	0.3
86.09698	100.0
87.10027	1.4
98.21515	0.8
98.98458	19.1
99.55970	0.3
101.95021	2.5
102.96861	0.7
104.10738	4.4
116.99499	0.4
119.96068	1.7
120.97925	0.8
124.99994	84.2
126.00324	0.9
134.61090	0.3
137.97090	1.8
138.98898	0.8
143.01044	2.0
153.01773	0.6
155.98164	0.5
160.98793	0.5
166.02582	0.5
168.48639	0.3
178.99728	0.3
184.07327	90.2
185.07634	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.12927	0.4
56.04778	0.4
56.05019	2.0
58.06601	0.7
60.08158	18.6
65.22651	0.4
67.28912	0.4
67.80988	0.4
71.07364	11.6
86.09697	100.0
87.10033	1.5
98.20709	1.1
98.98457	19.3
101.95013	2.2
102.96852	0.6
104.10742	4.6
119.96060	1.9
120.97908	1.2
124.99992	80.2
126.03123	0.8
134.74840	0.4
137.97141	0.9
138.98909	0.9
140.03342	0.4
143.01031	1.5
153.01785	1.0
155.98209	0.4
184.07321	89.4
185.07562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1537
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03957	1.2
55.01871	1.8
55.05499	8.4
56.96552	2.1
57.03423	1.9
57.07056	4.0
58.02951	36.7
67.05494	23.5
68.36585	0.9
69.07059	69.6
70.06567	3.3
71.29826	1.3
74.06065	1.8
79.05484	7.6
81.06571	1.5
81.07041	22.5
83.04970	1.3
83.08611	6.7
84.07774	1.0
84.08140	10.7
86.06022	1.0
91.05472	6.1
93.07031	11.5
95.04939	2.9
95.08600	7.2
97.06502	4.3
98.06025	2.6
98.09646	2.7
98.97561	4.5
99.97923	2.2
100.07585	6.0
105.07011	13.8
107.08584	21.4
109.06506	1.6
109.10143	53.8
110.10526	1.4
112.07558	3.5
114.09155	12.7
116.98605	4.2
117.98965	2.1
119.08537	1.7
121.10145	2.0
123.08070	1.1
123.11709	9.3
126.09127	13.9
126.12798	1.6
133.10114	28.5
134.10490	1.5
134.99648	3.6
135.11671	21.6
136.00024	2.2
137.13315	1.2
138.12773	22.1
147.11682	4.8
150.17004	1.0
151.11182	9.5
153.12738	13.4
154.15881	1.9
164.14326	3.4
165.12729	3.9
182.15385	100.0
183.15753	2.8
183.29300	1.0
198.66325	1.1
204.06905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0603
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
51.02385	0.2
55.01859	0.5
55.05505	0.6
55.93515	0.3
56.05026	0.8
56.96560	3.9
57.03425	0.9
57.07053	0.3
58.06594	0.4
59.06101	0.5
60.04525	0.4
60.08149	0.6
61.02929	0.4
65.03925	2.1
66.22869	0.2
67.04227	0.2
67.05502	1.6
68.05013	0.7
69.03422	1.1
69.07056	0.4
70.02959	0.4
70.06583	1.5
70.95824	0.2
71.05009	0.3
71.07362	0.5
71.57883	0.3
71.58272	0.3
72.04533	0.4
72.08127	1.0
72.93776	0.4
73.02922	1.3
79.01842	0.5
79.05520	0.3
80.05005	0.5
80.94970	0.6
81.03418	0.5
81.04540	0.4
81.07065	0.4
82.02962	0.2
82.06561	1.3
83.04946	0.4
83.06090	0.6
84.04495	0.8
84.08134	0.6
85.02898	1.3
86.06056	0.7
86.09692	4.3
87.04480	0.3
88.07602	0.2
90.01551	0.2
90.94807	0.6
92.01291	0.5
92.04491	0.3
92.04984	1.8
94.06574	0.4
95.04970	1.9
95.06080	0.7
95.07355	0.2
96.04470	0.9
96.05267	0.4
96.08120	0.7
97.02879	1.3
97.07649	0.8
97.98955	0.2
98.06031	0.6
98.97585	1.5
98.98454	0.8
99.05563	0.3
99.33845	0.2
100.03958	0.4
101.00863	0.6
102.05507	0.3
104.04990	0.4
104.10739	0.2
104.96361	0.3
107.01297	1.0
107.06081	0.3
108.36846	0.2
108.95860	0.4
109.02860	0.3
109.07629	0.8
110.01247	0.6
110.06036	2.2
110.07157	0.5
110.97533	0.3
111.05569	0.3
111.09193	0.4
112.00991	0.4
112.03940	0.5
112.07565	0.4
113.07107	0.4
114.05520	0.4
116.98613	1.5
118.01009	0.5
119.01897	10.7
120.02041	0.7
120.04455	1.8
121.01572	0.5
121.02910	0.3
121.97525	0.3
122.02374	0.4
122.06018	0.4
122.97398	0.4
123.04402	1.9
124.00980	0.4
124.03938	0.6
124.04773	0.4
124.07582	3.7
124.93835	0.2
124.99977	2.8
125.02335	1.4
125.07102	0.8
126.03113	2.2
127.03878	0.6
127.08619	0.2
128.02315	1.7
128.98557	0.5
130.02861	0.2
131.07030	0.5
131.97391	0.3
133.01605	0.5
134.99635	1.5
137.02933	6.2
138.03133	0.3
138.05482	6.0
138.06522	0.5
138.09113	0.6
139.01541	0.4
139.03870	1.3
139.08650	0.3
140.07043	0.5
142.03494	1.9
142.04543	0.3
142.08615	0.3
142.09755	0.3
143.03448	0.2
145.01552	0.5
146.99632	0.9
148.03911	71.8
149.04272	1.4
153.01814	2.9
154.02058	0.4
154.04948	0.4
158.99699	0.3
160.04567	1.0
160.96039	0.2
160.97342	0.2
161.01187	1.0
161.02924	0.9
161.04108	0.3
162.99107	0.7
163.02605	0.4
165.00661	0.3
166.04974	100.0
167.03432	0.4
167.05315	2.5
167.08110	0.7
167.36592	0.2
171.02873	0.9
174.02995	0.2
177.00786	0.3
178.96333	0.5
179.03926	1.2
181.00087	0.3
183.97575	0.3
184.06004	11.1
184.07387	2.9
184.09447	2.5
184.10854	0.7
185.04440	0.4
189.00600	0.4
194.03323	0.4
197.01205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03928	1.2
55.01859	1.7
55.05504	4.5
56.15525	0.4
56.96562	6.1
57.07061	1.2
59.04985	0.4
65.03922	1.0
67.05502	3.8
68.05025	0.6
69.03070	0.6
69.03423	9.2
69.07068	3.4
69.32246	4.9
71.04986	2.5
71.95258	0.8
73.38396	0.4
79.05486	28.4
80.05791	0.9
81.03394	1.0
81.07039	8.7
83.04962	2.1
83.08607	4.0
85.06531	0.8
86.40948	0.4
91.05474	12.9
92.06286	0.5
93.07032	26.3
95.04937	3.6
95.08598	4.0
97.02895	2.7
97.06509	2.2
98.21465	0.9
98.97572	27.5
99.04469	2.3
103.05458	2.0
105.07017	10.4
107.04964	1.2
107.08583	100.0
107.40688	0.5
108.08908	2.0
109.06489	3.6
109.10135	0.7
111.04379	0.7
111.08093	1.0
111.27036	0.5
116.98605	31.6
117.07043	0.8
119.04939	0.4
119.06102	0.5
119.08566	2.4
121.06514	4.4
121.10130	23.1
122.07146	0.5
122.10448	0.7
123.08035	2.1
123.66750	0.5
125.02316	1.8
125.05997	1.9
134.99643	29.7
135.04433	0.9
135.08025	1.6
135.11678	17.4
136.07549	0.6
137.05956	1.0
137.09563	0.7
139.07538	0.5
139.11197	0.8
140.00168	1.3
140.08203	0.7
140.92883	0.4
145.10121	4.8
149.06003	2.1
151.03867	0.5
153.00702	6.3
153.09111	0.5
153.12749	1.0
158.01245	3.1
163.11162	12.1
170.10283	0.5
181.01311	2.8
181.04918	1.6
181.08672	3.5
181.10097	0.6
181.10674	0.7
181.12140	3.7
194.16850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03932	0.8
55.01862	0.6
55.05504	0.8
55.35222	0.3
56.03975	0.2
56.05026	0.5
56.96552	5.0
59.06106	0.9
63.02362	0.3
63.86945	0.3
64.38911	0.3
65.03926	1.9
67.02978	0.2
67.05497	1.3
68.05013	1.3
69.03423	0.5
69.07065	0.5
70.06597	0.3
71.04967	0.5
71.95274	0.4
72.04498	0.4
79.05480	4.9
80.05004	0.6
81.03404	0.4
81.04524	1.1
81.07053	0.6
82.04171	0.7
82.05311	0.3
82.06519	0.3
83.04982	0.4
83.06086	1.6
83.08613	0.3
85.02905	1.1
89.03902	20.1
91.05464	3.2
93.03393	0.7
93.04507	0.3
93.07024	2.2
94.06621	0.3
95.04956	2.4
95.06067	1.1
95.08581	0.7
96.04485	0.4
96.06884	0.4
97.02924	0.6
97.06508	1.0
97.07642	0.8
98.97567	14.9
99.04459	0.3
99.05585	0.7
103.05448	1.0
103.94916	0.3
105.04488	0.4
105.07013	0.4
107.04940	7.1
107.08578	1.4
108.02118	0.4
109.06487	0.5
109.07620	0.8
110.03632	0.4
110.07146	0.6
111.04436	2.9
111.08048	0.6
114.06613	0.3
116.07616	0.3
116.98600	21.3
117.03361	20.3
118.03716	0.5
119.04948	0.7
120.56374	0.3
121.06477	1.7
121.10119	0.6
122.07139	1.3
123.04448	0.5
123.05515	0.6
124.08691	1.0
125.05976	0.6
125.07095	0.4
134.04611	0.6
134.99640	25.1
135.04393	42.8
135.07990	0.9
135.11655	0.5
135.74419	0.3
136.04767	1.0
136.07549	0.5
136.08661	0.6
137.05943	0.9
137.07021	0.6
138.06619	0.4
139.03880	1.8
139.07536	0.3
139.09834	0.5
140.00101	0.7
140.08134	1.2
141.08963	0.4
145.02826	22.3
145.03842	0.8
146.03197	0.4
149.05939	1.3
153.00702	6.2
153.05530	0.4
153.09067	0.5
154.09756	0.5
158.01219	2.1
163.03876	100.0
164.04224	3.0
164.08180	0.7
171.06479	0.6
176.02286	0.6
177.00688	0.5
181.04939	4.8
181.06396	0.5
181.08548	1.4
181.10762	2.6
181.12224	1.2
182.04895	0.6
182.07983	0.3
186.05455	0.4
190.76309	0.3
190.81598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.02385	0.3
53.03942	0.7
55.01866	0.5
55.05500	0.7
56.05022	0.7
56.96554	2.3
57.03433	0.6
59.06116	0.6
65.03921	0.6
67.05515	0.6
68.05019	1.3
69.03415	1.2
69.88924	0.6
69.89339	0.8
70.02945	0.3
70.06587	1.2
70.95844	0.2
72.04502	0.3
72.93779	0.3
73.21236	0.3
74.02424	1.5
75.73661	0.2
78.95302	0.3
79.04388	0.3
79.05481	0.5
80.05003	1.2
81.03405	2.7
81.04525	0.5
81.07041	0.9
82.06573	0.6
83.04955	0.4
83.06102	0.7
84.04495	1.0
84.08160	0.5
84.96030	0.3
85.02885	1.0
85.07617	0.2
86.06050	0.9
87.04482	0.3
91.05470	35.0
92.05794	0.7
93.03379	0.3
93.07006	0.6
94.06553	0.7
95.04956	6.8
95.06070	1.0
96.04478	1.1
96.08138	0.5
97.02870	0.7
97.07632	0.3
98.06062	2.2
98.97559	1.3
98.98447	0.4
99.04416	0.4
99.97955	0.3
103.05460	1.0
105.03367	0.5
107.04945	0.8
108.04494	0.4
108.08108	1.2
109.06525	2.7
109.07639	0.8
110.06043	0.4
111.04423	0.5
111.05565	0.4
113.05896	1.0
114.19226	0.2
116.98598	1.1
118.06524	3.1
119.04929	35.0
120.05288	0.7
121.06474	0.7
121.07600	0.3
122.06006	0.8
122.07101	0.8
123.04415	15.4
123.05450	0.8
123.09106	0.3
124.04775	0.3
124.07574	0.7
125.05995	0.3
125.07072	0.5
126.05445	0.3
127.05661	0.3
134.07159	0.3
134.52583	0.3
134.99670	2.0
135.56955	0.8
136.00012	0.7
136.07561	100.0
137.06010	0.4
137.06993	0.4
137.07942	1.7
138.05486	0.3
140.03424	0.3
140.04578	0.4
140.07053	0.4
140.08177	0.9
146.05975	0.3
146.99664	0.4
147.04395	5.3
147.05498	0.5
152.07047	2.8
153.00659	0.5
154.08585	1.0
158.97394	0.4
158.99612	0.4
164.04233	0.4
164.07043	1.8
164.08197	0.6
165.05460	7.0
165.06506	0.3
166.98541	0.4
177.00684	1.0
177.04318	0.3
181.97838	0.4
182.04555	0.7
182.08032	5.2
182.09241	0.6
182.12817	0.8
184.02910	0.3
184.62274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03934	1.0
55.01852	0.7
55.05504	1.1
56.05021	0.9
56.96556	9.3
57.03422	0.6
57.04555	0.4
57.07051	0.6
58.96242	0.4
59.06116	2.0
63.02387	0.4
65.03941	2.3
67.05500	1.6
68.05013	2.0
69.03422	1.4
69.04523	0.4
69.07046	0.9
70.06583	1.1
71.01332	0.6
71.04980	1.4
71.47545	0.7
71.95246	0.8
74.06039	0.5
78.18979	0.3
79.05477	5.1
80.04993	0.8
81.03403	1.6
81.04518	1.0
81.07040	1.2
82.04208	0.8
82.05297	0.6
83.04975	1.5
83.06079	2.6
83.08617	0.6
83.34022	0.4
84.04490	0.8
85.02887	1.3
85.07646	0.4
86.06036	0.5
86.09685	0.4
89.03900	19.3
90.04236	0.5
91.05479	4.4
93.03391	0.5
93.07025	2.5
95.04956	3.4
95.06070	2.0
95.08581	0.5
96.04482	0.5
96.05637	0.6
97.02872	1.4
97.03995	0.4
97.06524	1.3
97.07623	1.9
98.06010	0.6
98.07179	0.5
98.97569	22.0
99.04424	0.4
99.05577	1.2
103.05460	1.2
105.04494	0.7
105.07048	0.6
107.04331	0.3
107.04933	7.8
107.06055	0.5
107.08582	2.1
108.04459	0.4
109.06485	0.8
109.07619	1.6
110.03686	0.6
110.07151	0.8
111.04436	2.9
111.05515	0.5
111.07993	0.8
113.07090	0.6
115.13705	0.4
116.98598	32.6
117.03356	19.2
118.03729	0.3
119.04895	0.5
121.02852	0.6
121.06491	2.7
121.07322	0.5
121.10123	1.3
122.06040	0.5
122.07127	2.4
123.04384	0.5
123.05502	1.2
123.07989	0.6
124.08698	1.0
125.05972	1.1
125.07101	1.1
134.04599	1.3
134.99634	48.5
135.04388	44.7
135.08017	2.0
135.11659	0.8
136.04712	1.1
136.07590	0.8
136.08678	1.5
137.05942	1.0
137.07039	0.8
137.09480	0.6
138.03072	0.6
138.06607	0.6
138.09143	0.4
138.10202	0.4
139.03874	1.9
139.07463	0.5
139.09773	0.9
140.00154	1.0
140.08147	1.7
141.08894	0.5
145.02821	24.5
145.03828	0.9
146.03183	1.0
146.50586	0.3
149.05933	1.4
151.09689	0.4
152.05800	0.4
152.07057	0.8
152.99448	0.6
153.00685	11.7
153.09068	1.3
154.09731	1.1
158.01236	3.9
158.02466	0.5
158.99583	0.4
160.99347	0.3
163.03874	100.0
163.11125	1.1
164.04216	2.7
164.06985	0.3
164.08165	1.6
164.11809	0.6
166.06255	0.4
171.06511	1.1
176.02295	1.0
177.00688	1.0
181.01434	0.4
181.04947	6.8
181.06346	0.7
181.08543	1.9
181.10783	4.9
181.12247	1.3
182.04933	4.4
186.05563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1017
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.02378	0.3
53.00279	0.2
53.03941	1.2
55.01854	0.7
55.05500	0.5
56.96562	2.7
65.03917	0.4
69.03407	0.6
70.69251	0.7
71.95252	0.3
72.04494	0.4
77.03919	0.5
77.73621	0.2
79.05479	1.1
79.45255	0.2
80.04988	0.4
81.03420	0.5
81.07050	0.4
83.04980	0.4
84.04494	0.3
85.02884	0.3
91.05475	6.8
92.05811	0.3
93.07036	9.9
95.04970	2.9
95.06115	0.3
95.08620	0.3
96.04492	0.5
96.08113	0.4
97.02864	0.3
97.07662	0.3
98.97578	7.4
103.04779	0.4
103.05462	7.4
105.07023	0.4
106.06578	0.4
106.07352	0.3
107.04954	0.3
107.08551	0.5
108.04479	0.7
110.06046	0.5
111.05518	0.3
116.98616	11.7
118.35605	0.2
119.04956	0.3
120.08082	0.8
121.06496	100.0
122.06819	2.6
123.08089	0.3
124.03907	0.2
124.07579	0.3
134.05995	0.7
134.09637	0.3
134.99651	13.1
135.04413	0.6
135.08112	0.3
137.05959	0.7
137.08276	0.4
138.05420	0.3
138.06378	1.5
138.09143	4.4
138.10179	0.3
139.09755	0.2
140.00185	0.4
147.04385	0.2
148.03665	0.3
148.04752	0.3
149.05933	0.5
152.07089	0.7
153.00673	3.3
153.05431	0.3
154.59099	0.6
158.01242	1.3
162.05502	0.5
162.08977	0.3
163.03926	0.4
163.07558	0.3
163.11148	0.4
171.34431	0.2
180.03885	0.4
180.06473	2.4
180.10039	1.6
180.12489	0.4
181.01256	0.3
181.04959	0.8
181.08649	0.5
181.10779	0.3
181.12248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1017
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
53.03945	0.9
55.01857	0.4
56.05016	0.1
56.96558	0.7
60.04506	0.2
64.26785	0.1
65.03931	0.3
68.05016	0.2
69.03423	0.2
70.84712	0.4
72.51871	0.1
77.03918	0.2
79.05466	0.3
80.05006	0.2
81.07052	0.1
85.02887	0.2
86.06056	0.3
89.03906	0.2
91.05472	6.0
92.05804	0.2
93.07038	10.4
94.07365	0.2
95.04960	2.3
96.04502	0.2
98.97574	2.8
103.05459	8.7
104.05745	0.2
105.04492	0.5
105.18034	0.1
106.06512	0.1
107.04944	0.2
108.04490	0.2
109.07706	0.1
109.17339	0.2
111.04420	0.2
111.08035	0.1
116.98618	3.9
117.03365	0.3
119.04911	0.3
120.08099	10.8
121.06493	100.0
122.06831	2.8
134.06004	0.3
134.99654	3.3
135.04381	0.5
135.08186	0.2
138.06664	0.2
138.09135	3.7
138.10216	0.3
139.09656	0.2
140.00203	0.2
145.02853	0.3
153.00732	0.6
158.01257	0.2
160.17937	0.1
162.05489	0.3
163.03923	1.1
163.07616	0.1
165.30661	0.1
168.36909	0.2
180.03682	0.2
180.06569	0.5
180.10117	1.8
180.12497	0.2
181.04994	0.2
181.08369	0.1
181.10825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
53.03923	0.2
54.93831	0.3
55.01875	0.3
55.05496	0.1
56.96564	0.5
58.02773	0.1
60.69043	0.2
65.03943	0.4
67.05511	0.2
68.05017	0.3
69.03421	0.4
71.58341	0.2
72.04514	0.3
77.03916	0.2
79.05479	0.7
80.05004	0.3
81.03397	0.3
81.07055	0.2
85.02897	0.5
89.03898	0.2
91.05470	1.6
92.02636	0.2
92.05006	0.3
93.03358	0.2
93.07024	2.4
94.06549	0.2
95.04958	0.8
96.04481	0.3
97.02900	0.4
97.06464	0.2
98.06564	0.1
98.97569	1.6
103.05452	7.8
104.05785	0.2
105.03385	0.2
106.03730	0.1
106.06548	0.4
107.04971	0.5
108.04475	0.5
109.05270	0.3
109.06516	0.2
109.07681	0.1
110.06005	0.2
111.04457	0.1
112.07601	0.1
112.96698	0.3
116.98605	2.2
119.04885	0.2
119.07232	0.2
120.08087	100.0
121.02880	0.3
121.06490	6.3
121.08418	3.0
121.10137	0.1
122.07115	0.1
124.03960	0.2
124.07583	0.4
125.02367	0.2
125.05975	0.3
130.97726	0.3
131.04909	1.2
134.05995	6.2
134.99641	2.3
135.04407	0.9
135.06389	0.2
135.08057	0.5
138.05479	0.1
138.06612	0.2
138.09143	0.2
138.99249	0.6
139.03833	0.3
147.99763	0.2
148.03854	0.7
150.05493	0.4
152.03304	0.2
152.04385	0.2
152.07037	0.7
153.00674	0.5
153.01768	0.3
153.05476	0.4
158.01202	0.2
162.05478	6.4
162.09094	0.3
163.03876	1.5
163.05949	0.3
163.07509	0.9
165.04190	0.6
166.00880	0.2
166.06186	0.2
179.54826	0.2
180.02592	0.3
180.03789	0.6
180.06512	6.9
180.10097	2.0
180.12413	0.2
181.01306	0.3
181.04976	1.0
181.06410	0.2
181.08458	0.2
181.10626	0.2
197.96986	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	180.1017
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.02361	0.2
53.03934	0.8
55.01852	0.4
56.96552	0.9
60.04515	0.3
65.03917	0.2
65.50996	0.1
67.05502	0.1
68.05009	0.2
69.03416	0.2
69.43054	0.2
69.43465	0.9
70.06571	0.1
77.03905	0.3
79.05493	0.3
80.05025	0.2
81.03400	0.2
81.04507	0.2
81.07087	0.2
83.06085	0.2
83.08620	0.1
84.04483	0.2
85.02891	0.3
86.06064	0.2
86.14928	0.1
89.65345	0.2
91.05468	4.8
92.05772	0.1
93.07033	9.5
94.07343	0.2
95.04952	2.1
95.06094	0.1
97.02854	0.1
97.06481	0.1
97.07626	0.2
98.21396	0.2
98.97575	1.8
103.05453	6.1
105.04487	0.4
106.06553	0.2
107.06023	0.2
107.08607	0.2
108.04449	0.3
109.06516	0.2
116.98611	2.3
117.07006	0.8
120.08145	0.2
120.93402	0.1
121.06490	100.0
122.06816	2.7
127.03844	0.2
134.05997	0.2
134.09692	0.1
134.99651	2.8
135.92055	0.1
138.09131	3.6
153.00694	0.5
157.69164	0.1
162.55646	0.1
163.03954	0.2
163.07381	0.1
180.06509	0.3
180.10155	1.5
180.12442	0.2
181.10686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89106	2.7
53.03922	11.2
55.01864	22.4
55.05494	9.3
55.94608	3.7
56.05012	11.1
56.96562	67.2
57.03432	25.2
58.99853	5.3
60.04506	5.9
61.02917	13.7
65.03928	7.3
66.36081	3.2
67.05475	6.8
68.05009	4.4
69.03423	58.7
69.07050	7.1
70.06591	17.6
70.30073	10.8
70.30457	4.4
71.01350	6.2
71.04987	49.5
72.04518	17.2
72.08137	12.7
73.02913	17.3
74.02441	18.4
74.06072	4.7
74.97578	4.5
77.00880	9.5
79.05482	14.7
80.05011	6.7
81.03410	44.8
81.04521	17.1
81.07056	4.4
82.06566	5.9
83.04969	6.0
84.04480	11.6
84.08134	24.8
84.96020	2.6
85.02898	100.0
86.06062	5.7
86.09705	19.7
87.04445	5.1
88.02637	3.9
88.03962	10.8
88.07613	4.9
89.73760	3.0
91.05471	13.9
93.05782	3.7
93.07033	9.4
94.06541	5.6
95.01358	2.7
95.04935	8.9
95.06071	4.2
96.04489	6.9
96.08132	5.4
97.02876	49.6
98.06040	5.3
98.20852	3.8
98.97577	16.9
99.04460	25.8
100.02460	11.6
100.50198	2.8
101.02390	8.3
102.02343	4.4
102.05525	3.1
105.02090	4.4
106.06531	11.9
107.04943	7.0
107.08588	4.1
108.04479	13.6
108.08150	4.0
109.02871	89.7
109.06471	3.8
109.10203	2.8
110.01219	4.3
110.03526	7.0
110.06048	4.3
110.07175	3.2
111.04446	10.3
112.03873	2.9
112.07568	5.4
112.96732	3.6
115.02381	5.6
115.03869	5.6
116.07104	4.5
116.98628	23.1
117.05484	15.5
118.03532	11.9
118.06530	4.2
119.01897	25.4
119.04878	4.8
120.05272	8.4
120.08102	9.3
121.06514	26.7
122.06023	6.2
122.07119	11.0
123.06804	4.8
124.07570	6.5
126.05515	4.6
127.01543	5.0
127.03905	61.3
128.02237	3.5
129.10239	5.0
130.08600	11.9
131.01871	13.2
132.06546	5.5
133.01686	4.4
133.03430	15.1
134.02992	3.4
134.05998	29.7
134.08087	5.7
134.09647	9.1
134.99652	25.2
135.03030	6.6
135.04633	12.3
135.06752	13.9
135.11665	3.4
136.06110	6.9
136.07597	14.8
137.02916	10.2
137.04626	3.6
137.05925	9.2
138.05473	4.2
138.09138	5.1
138.10223	4.3
139.03923	3.7
139.09749	6.1
140.02409	3.1
143.01839	4.5
144.06552	3.7
145.03458	5.6
145.04964	26.0
146.99651	22.7
147.06718	3.1
148.03734	3.4
148.04741	13.0
149.02876	8.2
149.06946	3.6
151.04573	5.7
151.06085	3.5
152.05635	8.4
152.07048	21.2
152.09038	3.1
153.00638	5.3
153.04068	13.2
155.97487	2.9
157.01666	8.6
157.03424	27.1
161.02885	4.8
162.05394	14.0
162.07695	12.1
162.09132	14.7
162.99197	4.0
163.02550	4.7
163.04556	2.8
163.06111	6.0
163.08400	3.7
164.09299	5.1
165.00708	3.6
166.99751	3.5
171.01413	3.9
173.01216	6.4
173.02965	4.1
174.99036	9.7
175.00833	6.1
175.02745	11.5
175.04539	13.2
177.00612	3.0
179.59224	3.3
180.01112	3.4
180.03867	3.2
180.05128	59.1
180.06555	30.6
180.08719	16.4
180.10179	43.1
180.12405	3.3
181.03606	19.2
181.05006	6.0
181.09532	4.4
181.10983	14.5
188.07652	8.3
189.00719	4.7
191.02274	3.1
193.00209	5.8
193.01874	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	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03939	2.1
55.01863	4.7
55.05489	0.7
59.59621	0.5
65.03923	4.0
67.05502	9.8
68.99777	3.0
69.41160	0.6
71.55364	1.2
79.05489	7.8
80.02630	0.6
80.06319	0.6
81.03436	1.2
81.07057	0.9
83.05006	0.6
91.05470	21.9
93.03402	0.6
93.07035	2.9
95.04958	17.6
95.08604	3.8
97.41507	0.7
103.05453	5.0
105.03388	0.8
105.07018	13.0
107.04961	2.1
108.05756	3.1
109.02881	2.8
109.06510	1.5
110.03656	6.6
111.04420	1.7
115.05467	1.5
118.04148	1.2
119.04932	19.0
121.02845	3.0
121.04028	0.7
121.06499	2.5
123.04417	100.0
123.08038	10.2
124.04749	2.7
133.06479	4.5
136.05180	3.1
137.05975	2.8
146.03664	0.7
147.04393	19.8
147.87022	0.6
149.05917	1.0
151.03903	5.9
151.07526	47.2
152.07906	1.2
161.05949	2.8
161.07092	3.1
164.04756	0.8
179.07021	57.7
180.07477	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	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03921	2.5
55.01867	5.8
55.05503	1.1
56.05026	0.8
57.03394	0.9
58.57299	0.7
61.48457	0.6
65.03933	5.1
67.05499	11.0
68.99769	2.8
69.03413	1.6
69.07070	0.7
69.80773	1.3
69.81178	2.9
77.03925	1.1
78.91717	0.7
79.05486	10.0
81.03399	1.8
81.07043	4.1
83.04968	1.9
85.02865	1.1
91.05472	25.9
93.03392	1.0
93.07026	5.7
95.04960	22.0
95.05968	0.8
95.08598	5.2
98.21441	0.7
103.05447	5.7
105.03368	1.9
105.04485	0.8
105.07021	18.2
107.04966	2.2
107.08568	2.2
108.05688	3.5
109.02858	2.9
109.06499	3.4
109.10140	1.6
110.03650	6.7
111.04418	3.1
115.05438	1.6
118.04137	1.6
119.04929	24.9
119.08569	3.3
121.02848	3.1
121.03947	1.2
121.06490	2.7
121.10120	1.9
122.07140	0.7
123.04414	100.0
123.08038	8.5
124.04713	1.8
133.02803	0.7
133.06474	6.3
133.10120	3.6
134.07170	1.1
135.04356	1.3
136.05159	4.6
137.05948	5.3
137.08215	2.4
137.09572	1.8
139.07368	0.9
146.03630	1.8
147.04396	27.5
149.05922	2.1
151.03874	5.6
151.07527	41.9
152.08060	1.3
161.05969	5.5
161.07127	2.4
161.09505	1.3
161.13248	1.1
164.04704	1.3
179.03439	9.9
179.07027	58.6
179.10457	5.5
179.14258	2.3
180.08154	3.8
180.09680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
54.03461	1.8
55.01858	4.3
56.05016	3.0
56.96333	0.8
56.96565	9.8
57.03413	0.9
57.07067	1.1
58.06608	1.0
59.06109	1.1
60.04509	0.9
65.03922	1.1
67.05482	2.7
68.05005	4.5
69.03412	2.5
69.04533	2.8
69.93794	0.7
70.06564	1.0
70.30904	0.8
71.04967	1.1
71.58046	0.9
71.58414	1.0
72.04495	1.1
72.08138	0.7
73.02904	0.8
77.03870	1.3
79.05470	5.4
80.04997	1.8
81.03385	1.1
81.04504	2.9
81.07031	3.3
83.04977	1.0
83.06087	5.0
84.04505	1.7
85.02883	2.0
91.05469	16.4
92.05772	0.8
93.04507	1.9
93.07037	10.6
94.06544	2.4
95.04964	7.4
95.06068	8.8
95.08599	2.5
96.04467	2.6
96.05579	1.9
97.02873	1.2
97.03987	1.0
97.06402	1.3
97.07632	2.6
98.06063	0.9
98.07153	0.9
98.97587	1.8
103.05445	7.7
104.06192	1.1
105.03377	1.9
105.07030	9.1
106.06529	2.2
107.04930	1.8
107.06062	1.8
107.08543	2.1
108.04434	1.8
108.05593	1.4
108.08104	1.6
109.06490	2.7
109.07669	1.3
109.10143	1.4
110.06049	0.8
110.07152	3.8
115.05441	4.9
116.98547	1.4
117.07000	63.5
118.06525	2.9
119.04920	6.7
119.07333	0.9
119.08573	3.0
120.05571	3.1
120.08090	100.0
120.96513	1.1
121.06486	62.1
121.08298	1.5
122.05990	0.9
122.07122	2.1
123.04459	3.6
123.05524	2.2
123.08020	2.2
123.11695	0.9
124.08709	1.1
128.19220	0.8
132.08076	2.4
133.02805	3.6
133.06470	7.8
133.10121	6.1
134.06004	2.7
134.07068	3.5
134.09627	5.7
134.99632	1.3
135.04355	1.5
135.05464	1.2
136.07527	2.9
136.08630	1.1
137.05949	3.5
137.07104	1.0
137.08211	13.0
137.09570	1.5
138.06583	2.8
138.09126	2.6
139.07387	1.7
144.08060	19.3
145.06477	7.0
146.03648	1.2
146.99641	1.0
147.04378	9.5
150.09111	2.9
151.03879	3.1
151.07509	1.8
151.09753	0.9
151.11115	1.8
152.07022	1.9
152.08180	4.1
155.99672	2.0
161.05986	5.8
161.08130	2.3
161.09554	2.9
161.10794	2.0
161.13205	1.5
162.05453	2.0
162.06677	2.1
162.09119	68.3
163.07538	7.1
163.09425	2.6
164.03946	1.2
174.00716	8.8
179.03368	15.3
179.06874	5.7
179.09410	8.7
179.10587	2.7
179.11803	12.2
179.13023	0.9
179.14307	1.9
180.06483	1.3
180.10126	4.2
194.24332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98252	100.0
64.16779	2.8
71.58192	4.3
88.99789	51.5
118.74760	4.0
118.96339	5.7
118.97177	82.5
118.98018	6.6
122.66573	4.0
132.98721	38.6
135.02422	3.2
137.08205	3.3
142.72278	2.9
148.93497	36.5
160.98230	13.1
178.94559	31.5
178.99248	72.6
188.72589	3.0
188.74406	3.1
192.68628	3.1
199.05658	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	179.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	11.0
57.07067	8.2
62.98264	3.6
67.05507	4.8
68.05013	14.3
68.39711	3.4
69.04541	11.4
69.95184	19.4
73.95190	3.6
77.00887	4.6
77.42580	3.9
79.05486	4.0
81.07040	8.6
82.01415	9.1
82.49910	3.9
83.06083	6.7
91.05485	16.1
95.04984	5.8
95.06078	38.9
95.08630	8.2
96.04448	4.9
96.05619	4.3
100.02470	95.7
101.00885	5.6
105.07040	11.4
109.06472	5.7
110.07137	11.3
111.05482	3.9
117.99039	4.9
118.03503	89.6
119.01900	100.0
119.04927	15.3
119.08556	4.2
120.02000	5.3
120.05560	4.7
120.98730	4.4
123.04362	6.9
127.00886	6.9
129.49834	5.8
132.00854	9.1
133.01691	5.3
133.03467	26.9
133.06502	9.0
133.10149	9.9
134.03000	12.7
137.02959	55.6
137.08203	75.9
138.03032	4.0
138.51686	7.9
147.03369	4.2
147.04318	18.6
151.02666	4.2
151.04501	15.2
151.11165	3.9
152.08174	6.3
152.99319	9.2
155.49551	5.8
156.03203	4.8
156.05060	16.4
156.97443	29.0
157.03459	6.3
157.04630	4.7
161.02945	14.5
161.05943	14.8
161.08128	4.7
161.09579	5.8
164.50150	13.4
165.00275	5.2
173.50662	6.5
174.02951	4.6
174.06154	6.7
174.98561	61.4
175.02747	4.9
179.04149	33.3
179.06927	18.1
179.09239	10.2
179.10660	21.3
179.99232	28.6
197.99130	27.0
198.00327	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03926	3.9
53.43584	1.2
55.05506	14.3
56.96553	1.2
57.07051	2.9
65.03918	2.2
65.53260	1.2
67.05502	51.2
69.07061	11.7
79.05486	62.3
81.07050	41.3
83.08607	9.0
89.03908	6.0
91.05470	21.1
93.07036	88.1
95.04970	6.8
95.08597	50.1
97.06494	2.5
97.10149	3.2
98.20789	2.8
98.98460	5.7
103.05421	1.7
105.00864	1.1
105.07018	9.4
106.04139	1.5
106.07282	1.2
107.04938	1.4
107.07855	2.1
107.08585	44.5
109.06466	2.1
109.10142	17.5
111.02581	1.1
111.89030	1.1
117.03382	12.6
117.06997	5.6
119.08556	3.3
121.02891	1.4
121.06478	3.6
121.10133	100.0
122.10443	2.3
131.01857	2.3
131.06841	1.6
131.08565	7.7
132.04428	2.5
132.08076	2.4
133.10120	6.9
134.03632	2.5
135.04376	1.2
135.08020	3.1
135.11676	38.1
145.02840	13.1
149.02351	7.5
149.05984	7.4
149.13223	5.7
154.97809	1.2
159.08096	2.9
159.11694	8.8
160.07565	8.8
177.05386	10.9
177.06372	1.2
177.09096	5.5
177.12766	19.9
177.16368	43.1
178.04985	1.8
178.08505	2.2
186.05618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.34060	0.6
53.03950	2.0
55.01857	1.0
55.05504	10.8
56.96564	3.6
57.03427	0.7
57.07077	1.6
62.25761	0.6
63.02384	2.1
65.03931	2.7
67.05501	12.6
67.87589	0.6
69.03426	2.3
69.07066	21.5
70.50662	0.5
70.51019	2.1
71.63892	0.7
73.61286	0.5
78.04707	5.5
79.05489	23.1
81.07053	24.8
83.04994	1.0
83.08612	13.4
88.02234	1.0
89.03912	48.5
90.04249	1.0
91.05475	21.5
93.07040	45.5
94.07355	0.7
95.04968	6.1
95.08600	38.3
97.06522	1.5
97.10139	3.5
98.98451	3.4
103.05441	4.5
105.03386	1.4
105.04533	0.8
105.07019	11.1
106.04163	11.7
107.04959	1.3
107.08588	57.8
108.08937	1.3
109.06496	3.4
109.10152	13.0
115.05465	1.4
116.06202	0.6
116.98581	0.7
117.03371	77.8
117.07019	4.0
118.03670	3.2
118.06398	0.5
118.96748	0.7
119.04944	1.3
119.08574	3.4
121.02890	1.4
121.06499	10.5
121.10136	83.1
122.10481	2.3
123.08088	1.6
123.11716	0.8
124.05231	1.7
129.07022	1.0
131.01924	1.9
131.04955	1.4
131.08572	7.4
132.04466	1.3
132.08096	1.7
133.10138	4.9
134.03630	10.2
134.07198	0.6
134.99658	0.9
135.04440	6.7
135.08041	2.1
135.11685	16.7
145.02837	100.0
146.03165	3.9
147.04514	0.7
149.02269	3.8
149.05977	32.8
149.09628	2.6
149.13264	5.8
150.06340	1.9
153.93736	1.2
154.03506	0.8
158.06064	1.8
159.06743	0.6
159.08003	3.1
159.11670	7.8
160.07564	4.9
161.09708	0.9
162.03114	1.6
163.03914	2.0
172.95166	1.3
177.05453	32.4
177.09042	8.7
177.12750	13.7
177.16370	46.8
178.04868	1.1
178.08606	1.1
178.16733	1.2
186.05490	5.1
190.64838	0.6
190.95181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03938	2.3
55.01876	1.4
55.05506	13.4
56.96561	9.3
57.07072	1.5
65.03925	0.7
67.05502	9.8
69.03417	1.1
69.07063	26.5
71.60015	1.1
78.04686	1.5
78.49150	0.8
79.05486	20.5
81.03407	1.4
81.07053	22.7
83.08616	14.5
88.02219	1.3
89.03911	17.5
91.05472	13.8
92.58956	0.7
93.07038	49.2
94.07388	0.7
94.90015	3.1
95.04962	4.2
95.08600	43.4
96.08958	0.7
96.22738	0.7
97.10159	3.2
98.98452	4.3
101.72241	0.7
103.05463	2.3
105.07028	11.4
106.04134	1.4
106.07851	0.9
107.04956	1.6
107.08588	64.1
108.08897	1.7
109.06522	2.1
109.10154	15.2
115.05486	0.8
115.68088	0.7
116.97169	0.7
117.03369	27.7
117.07005	2.5
118.03672	0.7
118.96767	1.6
119.08571	4.5
121.02872	1.1
121.06509	3.0
121.10135	100.0
122.10448	1.6
123.08092	0.8
124.05187	0.9
131.01915	1.3
131.04892	0.9
131.08533	3.9
132.04448	1.1
132.08064	1.6
133.06505	0.8
133.10078	1.6
134.03636	3.4
135.04396	3.4
135.08055	2.5
135.11688	17.7
142.06448	1.9
144.09402	0.7
145.02834	32.4
146.03186	1.1
149.02235	4.1
149.05963	13.4
149.09612	1.9
149.13232	5.4
153.93744	7.4
154.03429	1.2
158.06027	0.9
159.08052	1.2
159.11737	3.2
160.07559	5.3
162.03146	1.1
162.31305	0.8
163.03822	1.1
171.94730	2.5
172.95316	2.0
176.95323	0.7
177.05431	14.5
177.08943	3.5
177.12773	7.9
177.16376	51.5
178.04890	1.6
178.08606	1.8
178.12218	1.2
178.16675	1.5
179.03619	0.7
186.05505	1.4
190.95107	3.4
194.25865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02347	0.7
53.03930	4.7
55.01869	4.9
55.05505	27.1
56.05838	0.7
56.66624	0.7
56.96560	6.7
57.03429	6.4
57.07073	4.9
59.04983	0.9
63.02365	1.1
65.03925	3.0
67.05161	1.3
67.05499	19.6
69.03418	7.6
69.07059	35.5
71.04987	8.1
71.08625	1.6
71.59334	1.2
77.03916	1.1
78.04703	2.4
79.05484	58.8
80.05804	1.1
81.03394	1.1
81.07048	42.9
83.04977	5.3
83.08606	9.4
85.06544	1.2
89.03909	26.6
91.05470	53.2
92.05773	1.3
92.06282	0.8
92.61465	0.8
93.03393	1.1
93.07033	100.0
94.06669	0.8
94.07381	2.9
94.90037	2.2
95.04960	17.2
95.08595	22.3
97.06523	4.1
98.98470	3.5
100.02555	0.8
103.05465	4.7
105.03358	0.9
105.04495	2.4
105.07019	49.9
106.04162	3.1
106.07334	0.9
107.04941	14.2
107.08582	68.9
108.08909	1.3
109.06508	15.7
109.10146	3.1
115.05447	6.8
116.06220	2.1
116.97220	1.1
117.03368	38.2
117.07006	32.9
118.03598	2.4
118.07352	0.8
118.96773	0.8
119.06047	0.7
119.08571	23.6
121.02818	0.8
121.06493	26.3
121.10126	29.5
122.07298	1.8
122.10544	0.9
123.08042	2.5
128.06215	1.2
129.06978	10.6
130.07803	7.0
131.01903	3.3
131.04935	1.0
131.08556	39.1
132.04384	1.2
132.08055	1.1
132.08920	1.2
133.06493	11.6
133.10127	12.9
134.03635	5.0
134.07277	0.7
134.99614	1.8
135.04391	3.3
135.08044	20.7
135.10776	1.3
135.11673	11.0
142.06488	1.0
142.07756	0.8
144.09322	11.5
145.02831	48.9
146.03210	1.7
147.08063	1.2
147.11621	1.8
148.08823	3.1
149.02237	4.0
149.05968	14.4
149.09625	4.8
149.12161	1.2
149.13248	15.6
151.07512	2.1
153.93675	3.8
154.03416	1.3
157.10136	2.3
158.05988	1.3
159.08095	1.4
159.11674	33.2
160.07518	5.5
160.12050	1.5
162.03093	1.8
163.03946	1.7
171.94734	1.7
177.05426	19.7
177.09102	5.2
177.12727	62.5
177.16203	5.6
178.04996	1.2
178.08601	1.1
178.12172	11.0
186.05469	3.2
190.95271	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03932	3.2
55.01862	4.7
55.05505	11.4
56.96562	31.6
57.03421	2.7
63.02356	2.2
63.42080	2.2
65.03933	3.7
67.05502	22.4
68.65591	2.0
69.03423	4.1
69.07059	13.7
71.59922	2.8
73.52102	1.9
78.04708	2.9
79.05491	38.7
81.03407	3.2
81.07052	45.7
83.04985	5.4
83.08612	4.0
86.43093	2.1
88.02186	3.2
89.03395	4.5
89.03915	51.2
91.05479	39.7
93.07039	52.0
94.90008	14.5
95.04955	15.6
95.08593	21.5
97.06538	11.3
97.95371	2.1
98.98474	12.9
103.05453	6.3
103.93517	1.9
105.07034	21.9
106.04180	4.4
107.04917	7.0
107.08588	38.1
108.05625	2.4
109.06503	8.8
109.10155	7.8
115.05437	3.4
117.03372	76.3
117.07008	17.7
118.03690	5.1
118.96754	5.3
119.08581	9.6
121.06513	8.1
121.10132	35.5
129.06984	4.9
131.01897	8.1
131.04868	2.8
131.08569	33.0
132.04443	2.7
132.08031	4.9
133.10130	22.1
134.03621	15.9
135.04437	12.2
135.08061	10.6
135.11678	14.9
135.92590	3.8
142.06462	2.7
144.09325	3.8
145.02834	100.0
146.03185	4.9
149.02240	12.0
149.06001	30.1
149.09586	6.2
149.13246	15.6
152.45790	3.1
153.93721	24.6
154.03519	2.5
158.05980	3.1
159.08089	6.2
159.11685	41.9
160.07576	25.8
162.03119	3.2
171.94780	8.3
172.94150	4.3
172.95387	3.4
176.95325	3.1
177.05417	36.8
177.09050	14.5
177.12744	86.5
177.16316	15.6
178.05008	6.6
178.08539	5.2
178.13152	3.0
186.05493	8.0
190.95128	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	177.1021
Annotation	Serotonin
Peak:m/z	Relative Intensity
56.96560	1.2
67.04205	0.6
68.61529	0.5
70.10605	2.6
79.05463	1.1
89.03895	2.2
91.05454	1.4
93.07021	1.2
94.06571	0.7
96.04458	0.6
98.20844	0.6
98.97584	3.0
98.98441	1.0
104.04969	1.0
104.14405	0.6
105.07017	1.9
107.08556	1.0
109.02810	0.7
115.05450	6.2
116.98623	2.5
117.03383	4.3
117.05740	2.5
121.02858	0.7
121.06549	0.6
121.10120	1.3
130.06511	0.7
131.06821	1.9
131.35495	0.5
132.04433	2.2
132.08076	9.0
133.06458	2.0
134.99619	1.7
142.06502	1.6
143.07358	0.7
145.02864	4.4
149.02321	1.1
149.05946	2.2
149.94611	0.7
150.05479	1.5
159.06581	1.1
160.07564	100.0
161.07858	2.3
172.95319	0.6
177.05469	2.6
177.07640	2.8
177.08897	1.2
177.12666	1.0
178.04970	3.4
178.07310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1021
Annotation	Serotonin
Peak:m/z	Relative Intensity
52.66194	0.4
53.03949	1.0
55.01884	1.4
56.05057	0.4
56.96544	2.7
57.93548	0.4
58.06602	0.6
59.06126	1.1
65.03965	0.5
67.05511	0.5
69.03444	0.6
70.06586	1.0
70.10578	1.9
71.04999	0.5
72.05344	0.5
73.02912	0.6
78.04710	0.8
79.05492	3.8
80.05003	0.5
81.07059	1.1
84.04494	0.7
84.99288	0.7
85.02911	0.7
86.95564	0.4
87.05593	1.2
89.03910	7.4
89.04411	0.7
91.05467	6.2
92.87332	0.4
93.07050	1.8
95.04975	1.9
95.06097	0.8
95.08606	1.0
98.97563	3.2
98.98454	1.2
103.05455	4.5
104.05757	0.7
105.03374	0.6
105.07018	29.1
106.04144	0.9
106.06569	0.7
106.07351	1.2
107.04964	1.7
107.08582	2.1
107.96070	0.5
109.02863	0.6
110.07172	0.7
115.05439	10.8
115.07230	0.4
116.98605	4.4
117.01858	3.2
117.03362	13.5
117.05743	2.6
117.06998	7.8
118.03693	0.4
118.06561	2.5
118.07236	0.4
118.96751	1.1
119.01859	1.0
119.04961	2.7
119.05747	0.4
120.05711	8.1
121.02840	0.7
121.06476	3.0
121.10154	1.6
122.05989	0.8
130.06537	0.8
130.08655	0.6
131.01907	3.2
131.04953	2.3
131.05875	0.5
131.06874	1.1
131.08530	1.2
132.04468	0.5
132.08073	35.9
133.06476	63.3
134.03627	1.5
134.05952	1.1
134.06883	1.0
134.99629	4.9
135.04404	1.3
135.06641	1.7
135.08037	0.6
135.09142	0.4
136.06195	2.1
136.07559	4.4
136.08537	0.7
137.06981	0.7
142.06503	1.5
143.04913	1.4
145.01500	1.0
145.02815	15.1
146.06010	1.1
146.99632	0.6
148.07585	1.0
149.02267	0.9
149.03090	0.6
149.04201	0.5
149.04839	0.7
149.05963	5.8
149.07851	1.0
149.09613	0.6
149.94537	0.7
150.06508	0.5
150.07771	0.6
150.09099	1.0
151.07574	2.3
153.00668	0.8
153.96695	0.7
154.03505	1.5
154.63100	0.4
155.01865	1.0
159.04407	1.0
159.06682	1.4
159.07996	0.5
160.07552	100.0
161.05980	0.9
161.07887	3.0
162.03073	0.6
163.03778	0.6
172.04576	0.5
172.95268	1.2
173.01404	0.7
173.02957	1.4
175.97032	0.4
177.05383	6.2
177.06567	0.6
177.07538	0.9
177.08891	2.2
177.10223	7.2
177.12691	1.1
177.16345	1.0
178.04874	1.0
178.08585	4.9
190.96257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03930	0.6
55.67322	0.4
57.70703	0.3
63.02368	1.4
78.04697	3.0
79.05467	0.8
80.83973	0.4
89.03908	52.3
90.04247	0.8
91.05460	3.1
95.04961	1.2
95.06103	0.4
98.21318	1.8
101.33846	0.4
103.05464	1.8
106.04167	2.9
117.03365	85.4
118.03686	2.3
119.04937	0.9
121.02930	0.4
121.06477	1.0
124.05195	1.1
126.95989	0.4
129.04495	0.4
131.08569	0.4
131.29321	0.4
134.03624	10.0
135.04398	6.8
145.02829	100.0
146.03154	3.1
149.05959	25.7
150.06329	1.1
158.06058	0.4
163.03865	1.6
177.05455	22.3
177.08986	0.7
178.05881	0.5
181.37502	0.4
182.37566	0.4
186.05434	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0908
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
69.58118	0.8
69.58523	1.8
74.88504	0.3
78.01754	0.3
78.04687	0.4
89.03912	2.0
91.05462	3.6
93.07030	0.6
95.04972	0.5
98.20730	0.4
103.05451	0.7
105.07030	1.0
106.04139	0.4
106.07800	0.3
115.05435	4.1
116.06224	3.7
117.03362	3.3
117.06211	0.7
117.07004	11.9
118.07351	0.5
119.04931	1.3
121.06473	3.2
131.08502	0.4
133.06445	3.4
134.07262	3.9
135.08070	1.9
144.05713	2.5
145.02837	4.6
145.06477	2.2
147.04430	0.9
147.08002	0.6
149.05968	1.2
149.09573	1.0
161.05959	1.0
162.06737	13.7
162.08109	0.7
163.07115	0.4
175.07672	0.4
177.09081	100.0
178.09415	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	177.0907
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03918	0.5
55.01849	0.8
55.05479	0.3
56.96528	0.5
57.93546	0.5
63.02361	0.9
65.03910	0.6
69.03399	0.4
69.07043	0.6
69.73091	0.3
75.94583	0.3
78.04699	2.3
79.05476	1.7
81.07027	0.7
88.02181	0.3
89.03904	25.9
91.05466	8.0
92.05769	0.3
92.74233	0.3
93.07025	2.4
95.04961	1.7
95.08585	1.1
97.07623	0.3
98.97571	0.3
98.98457	1.1
103.05458	3.0
105.03413	0.4
105.07021	2.3
106.04157	4.7
106.07795	0.7
107.04957	0.5
107.08582	1.6
109.06501	0.5
115.05428	5.2
116.06227	3.9
117.03362	41.9
117.06999	15.1
117.07838	0.7
118.03693	1.2
119.04908	2.5
119.08575	0.8
121.06493	5.1
121.10111	2.4
122.07188	0.3
124.05201	0.9
129.06914	0.3
130.06583	0.3
131.04922	1.1
131.08546	1.6
133.06471	3.7
133.10077	0.4
134.03612	7.0
134.07243	4.8
134.95885	0.9
134.99689	0.3
135.04413	3.6
135.08041	2.5
135.11729	0.5
136.08659	0.4
143.04836	0.3
144.05687	2.1
145.02821	50.1
145.06468	3.6
146.03120	2.0
147.04384	1.1
147.07996	0.7
149.02361	0.8
149.05957	14.8
149.09587	1.7
149.94560	2.2
150.06427	0.6
152.96930	0.5
158.06012	0.4
159.04466	0.4
159.08093	0.8
159.11719	0.6
160.07491	0.9
160.08737	0.4
161.05977	1.4
162.03111	6.1
162.06737	14.8
163.03844	0.8
175.07521	0.5
177.05492	23.0
177.09073	100.0
177.12640	1.9
178.05870	0.9
178.09444	3.4
186.05504	1.8
194.06927	0.3
197.24019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03927	0.5
56.50727	0.4
63.02370	1.5
65.03925	0.3
69.65191	2.4
69.90686	0.3
77.03951	0.4
78.04704	4.1
79.05479	0.7
89.03905	54.9
90.04246	1.4
91.05478	2.9
95.04946	0.9
98.21215	1.2
103.05447	1.9
105.03355	0.4
106.04166	4.4
117.03365	88.4
118.03709	2.1
119.04899	0.8
121.06519	0.5
124.05249	1.7
134.03618	10.6
135.04405	7.1
145.02827	100.0
146.03159	3.4
149.05963	27.0
150.06245	0.5
162.03072	0.6
163.03844	1.0
164.28110	0.5
177.05444	19.4
178.05792	0.5
178.73610	0.4
186.05432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02368	0.3
53.03935	0.7
55.01886	0.3
55.05503	0.6
55.70902	0.3
56.96563	1.9
59.58405	0.3
63.02354	1.9
65.03938	0.6
67.05505	0.8
69.03426	0.4
69.07056	0.8
71.42399	0.8
71.95559	0.3
77.03945	0.3
78.04700	3.6
79.05490	2.1
81.07043	1.9
83.08636	0.4
88.02235	0.4
89.03910	49.5
90.04250	1.2
91.05473	4.7
93.07052	3.5
94.90005	0.6
95.04958	2.4
95.08606	0.9
98.98455	0.9
103.05484	1.9
105.03394	0.7
105.04515	0.3
105.07004	1.0
106.04173	4.7
107.04968	0.4
107.08582	3.2
109.10133	0.9
115.05450	0.4
117.03371	79.4
118.03677	2.3
119.04923	0.8
121.06500	2.0
121.10126	3.5
121.35345	0.3
121.92238	0.3
124.05217	1.9
124.06012	0.3
131.01921	0.4
131.04942	0.4
131.08539	1.0
133.10072	0.7
134.03633	10.1
135.04417	7.3
135.11687	1.0
137.08199	0.4
145.02835	100.0
146.03171	3.0
149.02290	0.8
149.05971	26.0
149.09625	0.7
150.06366	0.7
153.93742	0.6
158.06021	1.2
159.08009	0.5
159.11629	0.7
160.07570	1.5
162.03130	1.7
163.03874	2.1
164.04094	0.3
177.05455	26.8
177.08827	1.8
177.12621	2.1
177.16315	1.6
178.05843	1.0
186.05496	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72432	0.7
63.81870	0.7
70.10789	2.7
132.02098	100.0
133.02432	2.1
138.82895	0.9
143.58972	0.7
150.03174	1.8
176.01079	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03942	0.7
56.96568	0.3
59.59711	0.3
62.01587	0.5
63.02374	1.1
65.03925	0.8
66.33157	0.3
67.05505	0.4
70.21665	0.4
70.98974	0.6
78.04714	3.6
79.05488	0.9
82.39962	0.3
89.03912	47.8
90.04272	1.3
91.05476	3.9
93.07031	1.0
94.92412	0.4
95.04957	1.3
95.06088	0.4
98.97576	0.4
98.98477	0.5
103.05457	2.2
105.03426	0.5
105.04502	0.6
105.07027	0.6
106.04157	2.9
107.04935	0.7
117.03372	79.8
118.03709	1.9
119.04926	0.6
121.06492	1.2
121.10212	0.5
122.06033	0.6
124.05206	1.2
129.04512	0.5
129.69160	0.4
131.04950	0.5
134.03627	9.3
135.04425	6.8
145.02835	100.0
146.03169	3.8
147.04416	0.7
149.02364	0.9
149.05972	23.9
150.05412	0.8
150.06442	0.7
153.99377	0.5
158.05998	0.8
160.07588	1.6
162.03073	1.0
163.03879	1.6
177.05455	25.6
177.08878	1.7
178.04994	1.2
186.05482	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	1.2
55.01870	0.7
55.05505	7.3
56.96556	6.1
57.03432	0.7
57.07063	2.0
58.07414	0.6
65.03935	1.4
67.05499	7.8
69.03423	1.3
69.07057	12.4
69.09743	0.5
69.69987	3.8
70.06579	1.8
72.93786	1.0
73.67348	0.5
79.05479	8.5
81.03400	0.9
81.07047	38.7
82.07399	0.9
83.04981	0.8
83.08606	3.3
85.02882	0.6
88.58471	0.5
89.03913	0.8
90.94795	1.0
91.05471	33.6
92.05805	0.8
92.90015	4.7
93.07030	13.2
95.04942	1.9
95.08595	25.4
97.02901	1.2
98.03157	0.9
98.98456	7.7
103.02339	0.9
103.05463	1.5
104.06247	1.0
105.07020	51.8
106.07338	1.5
107.04941	1.1
107.08588	16.4
109.06511	0.8
109.10130	1.6
114.35434	0.6
115.05437	5.2
116.06283	0.6
116.97216	0.7
116.98598	0.8
117.07009	6.9
118.07857	0.7
119.04943	6.0
119.08567	100.0
120.08140	0.9
120.08797	2.6
121.10149	2.4
128.06148	0.6
129.05508	0.5
129.06984	3.1
130.06512	2.3
131.08559	9.5
132.04376	0.8
132.05679	1.9
132.09309	1.4
132.95813	2.2
132.96736	0.7
133.06493	1.5
133.10115	86.9
134.04906	0.6
134.06125	0.5
134.10411	3.0
134.99640	1.1
135.07910	0.6
142.07762	2.1
143.05420	4.4
144.05705	0.7
145.06522	1.3
145.10109	7.5
146.10948	3.3
147.04460	3.6
147.06416	0.6
147.06972	0.6
147.07983	3.1
147.11665	22.4
148.07491	0.9
148.12025	0.7
150.96838	2.2
150.97971	0.7
151.93799	6.4
152.05945	2.2
157.04135	0.9
157.10092	3.4
159.11676	1.5
160.05174	5.6
160.08839	2.1
160.12474	3.3
169.94931	1.9
173.13220	1.6
175.02602	0.7
175.03989	2.5
175.06013	0.6
175.07521	14.9
175.11226	10.0
175.14804	94.5
176.06989	1.1
176.15128	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	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	0.4
53.95525	0.4
55.05505	1.1
56.96567	1.1
57.03434	1.6
58.06600	24.0
59.05003	1.5
59.07381	13.0
59.07682	0.8
59.88781	0.4
60.08162	71.5
61.08495	0.6
69.07066	13.3
70.06565	0.4
70.95860	3.2
70.99564	0.9
72.93793	3.9
73.06549	5.7
84.47967	0.4
86.09679	0.7
88.96877	0.4
90.94828	1.9
91.05482	1.0
97.02878	0.7
97.06523	1.5
98.98478	0.8
100.47240	0.4
102.06389	0.4
108.95873	0.5
111.98481	3.4
115.07545	0.9
117.05797	0.6
118.06529	1.8
129.99516	2.0
130.06491	0.6
131.96141	1.1
131.97423	2.2
131.99686	0.5
132.04390	0.8
132.95831	5.4
146.04944	0.6
146.06012	6.4
146.07916	0.5
149.97237	0.7
149.98453	1.3
150.00729	0.5
150.96884	12.6
155.97414	1.9
157.07555	0.6
158.06050	0.7
168.97989	0.6
173.98505	3.3
174.05525	3.5
174.07443	1.1
174.14893	100.0
175.08690	2.5
175.15221	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	175.039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.7
51.02376	1.0
53.03943	0.9
55.01862	0.7
55.05495	1.6
56.94301	0.5
56.96568	2.0
58.07397	0.4
60.05643	0.5
63.02368	1.1
65.03596	0.8
65.03935	13.3
66.75575	0.3
67.05497	2.0
69.03421	0.9
69.07061	2.0
69.40613	1.7
69.41042	1.9
70.06582	1.0
72.93779	1.5
75.02373	0.4
76.03151	1.4
77.03924	1.9
79.05499	2.7
81.03403	0.5
81.07050	5.8
83.04972	0.6
85.02923	0.5
86.91796	0.4
87.00706	0.5
89.03911	9.5
90.94832	1.1
91.05473	100.0
92.05801	2.0
92.90053	9.8
93.07038	4.0
95.04984	1.8
95.08590	3.8
97.02860	0.9
98.21510	1.0
98.97855	0.5
98.98462	7.2
101.03923	0.4
103.05469	1.7
103.47527	0.6
104.02616	1.1
105.03400	1.0
105.07021	11.9
107.04948	0.7
107.08602	2.9
108.88958	0.4
109.02361	0.5
110.91108	0.6
111.04417	0.5
115.05456	1.5
116.97215	1.5
116.99529	0.5
117.03383	1.0
117.06995	1.7
118.04153	1.1
119.04933	49.4
119.08571	22.3
120.05256	1.1
121.06527	0.4
121.10094	0.6
122.03671	2.4
128.92151	1.0
129.03345	2.2
129.04382	0.8
129.06964	2.1
130.06516	1.6
131.08571	2.8
131.97533	0.5
132.02052	1.2
132.05692	0.8
132.95880	2.3
132.96814	0.7
133.02837	0.6
133.06508	1.1
133.10123	18.4
133.92715	1.6
134.99570	0.5
135.04414	1.1
142.07770	1.2
145.02840	2.7
145.06454	0.6
145.10091	1.6
146.07224	0.5
147.04399	24.2
147.08067	1.3
147.11664	4.2
148.07481	0.4
150.03088	3.4
150.96904	3.2
150.97963	0.8
151.93768	11.5
157.03986	3.4
157.06288	0.4
157.10127	2.3
160.05151	1.5
160.08817	1.2
163.06975	0.6
169.94864	2.4
173.13229	0.4
174.95389	0.8
175.03899	8.6
175.07440	4.9
175.11153	8.0
175.13521	0.7
175.14815	16.6
176.07036	0.5
176.14369	1.1
178.02521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05510	1.0
55.93516	0.6
56.05034	0.8
56.05838	0.8
56.96556	1.8
57.03431	2.3
58.06592	4.2
59.04995	0.6
59.06110	0.9
60.04530	0.5
65.03925	0.4
68.05007	0.6
69.03423	0.5
69.07059	5.4
69.07413	0.5
69.89323	1.7
70.06583	1.1
70.95856	6.3
71.42566	0.3
72.04492	0.4
72.08139	1.3
72.93778	6.7
73.06538	0.4
73.16659	0.3
73.93821	0.3
75.05592	0.4
79.05499	0.3
81.07020	0.3
83.05000	0.6
83.06066	0.4
84.04473	0.4
84.05302	0.9
84.08138	0.8
84.55241	0.3
85.02908	0.4
85.04008	0.5
85.08908	4.3
86.09705	1.5
87.05562	0.5
88.96887	2.3
90.94807	2.8
91.05469	4.6
92.90099	0.4
95.63315	0.3
96.04479	0.7
97.02881	1.0
98.04763	0.3
98.07156	0.4
98.98451	2.9
99.05534	0.4
101.06013	0.5
102.06327	0.6
102.94788	0.3
104.96353	0.3
105.07023	0.4
106.97887	0.3
108.95855	0.9
110.06046	0.5
110.07186	0.3
111.04422	0.6
111.98467	4.0
112.04765	0.9
113.96393	0.8
114.05524	0.8
114.12793	100.0
115.03963	0.4
115.04896	0.4
115.13132	2.1
116.98582	0.3
118.06512	1.5
119.04913	1.5
119.08578	0.6
122.97349	0.4
126.06623	0.6
128.04953	0.4
128.07088	0.5
129.05475	0.3
129.06958	0.4
129.99495	3.3
130.05751	0.5
130.06602	0.5
131.96236	0.3
131.96437	0.3
131.97423	2.5
131.99654	0.6
132.04398	0.3
132.06534	0.7
132.08089	0.9
132.95824	7.9
132.96841	0.4
133.10164	0.3
146.04930	0.5
146.05986	4.6
146.08096	1.0
147.04410	1.5
147.08037	0.4
149.98456	2.5
150.00720	1.0
150.90773	0.3
150.96870	24.3
151.93785	0.6
151.97073	0.6
155.97395	3.6
156.04849	0.3
156.07430	1.3
157.09735	0.4
167.97139	0.5
168.97882	1.0
173.98473	5.4
174.05463	2.3
174.07603	1.1
174.08807	0.5
174.12648	1.6
174.14874	15.4
175.03740	0.5
175.07457	1.4
175.11191	0.5
175.15149	0.4
176.98427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05506	1.1
55.94617	0.7
56.05030	0.7
56.05839	0.5
56.96558	6.1
57.03428	2.7
57.05806	0.7
58.06593	7.0
58.50634	0.3
59.06115	0.8
60.04521	0.8
60.62175	0.3
65.03934	1.0
68.05031	1.0
69.03423	1.0
69.07063	0.8
70.06595	0.5
70.95855	5.6
70.96216	0.4
70.98112	1.5
71.07363	1.1
71.58318	0.4
71.94088	0.5
72.04513	0.4
72.08144	13.6
72.93779	5.4
79.01832	0.8
82.06542	0.4
83.04977	0.5
83.29201	0.3
84.04494	0.8
84.05302	1.1
85.04033	0.4
86.06063	0.4
87.04458	0.4
87.05598	0.5
88.03983	0.9
88.96884	1.7
88.99152	1.0
89.03882	0.8
90.94812	2.2
91.05464	8.7
91.90382	1.7
92.90077	0.7
96.04483	1.1
97.02882	1.3
98.98457	3.0
102.06346	0.5
105.07004	0.5
107.00157	0.6
108.95839	0.7
111.98459	3.7
112.04757	1.4
113.96351	0.8
114.05518	1.1
114.12791	100.0
114.94761	0.4
115.03915	0.8
115.13128	2.1
116.00169	0.6
117.05770	0.4
118.06525	1.7
118.63672	0.3
119.04925	4.4
119.08563	0.5
126.05556	0.4
128.04961	0.6
128.07088	0.4
129.06992	0.5
129.99512	2.7
130.05756	0.5
130.06548	0.8
131.08549	0.3
131.96167	2.3
131.97343	2.1
132.04463	1.9
132.06531	0.5
132.08072	0.8
132.95808	7.7
132.96819	0.6
135.01999	0.4
135.07852	0.4
143.03372	1.0
145.02843	0.4
146.05992	6.0
146.08098	1.1
147.04428	2.5
147.06384	0.3
149.96066	0.5
149.97188	3.6
149.98442	2.8
150.94135	0.6
150.96861	20.4
151.93736	0.6
151.97145	0.5
153.01819	6.8
153.02982	0.7
154.02145	0.7
155.97372	2.7
156.07442	0.8
157.07639	0.5
158.06015	1.0
160.05074	0.5
166.01897	0.3
167.98274	0.4
168.97955	1.1
172.98787	0.4
173.98457	5.6
174.05461	2.9
174.07613	1.3
174.08899	1.0
174.11113	1.1
174.12784	2.0
174.14877	12.3
175.03897	0.8
175.06161	0.4
175.07555	1.1
175.15076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1395
Annotation	Acetylagmatine
Peak:m/z	Relative Intensity
55.05494	1.7
55.96666	0.2
56.33868	0.3
58.56747	0.3
60.04524	3.4
60.05643	1.6
61.55598	0.2
70.06561	0.3
70.29738	0.5
70.30136	0.9
72.04509	16.0
72.08146	23.6
73.04035	1.7
73.08483	0.3
85.32973	0.3
97.07627	1.8
98.04661	0.2
98.06042	1.1
113.10755	33.1
114.09153	100.0
114.10258	4.7
115.08687	9.3
115.09478	0.9
122.15078	0.2
129.95699	0.2
131.11781	4.3
156.11304	27.5
173.13962	29.5
174.14470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.4
56.96555	0.8
57.03440	2.4
57.07069	27.5
60.04496	0.4
61.13720	0.3
62.00668	28.8
63.80009	0.3
68.05004	0.7
69.03445	0.3
70.06561	0.5
70.95845	0.8
71.59754	0.4
72.93757	0.9
76.02225	3.9
82.06544	0.4
84.04491	0.7
84.08105	0.5
86.06067	0.6
86.09677	2.5
88.29899	0.4
90.03770	4.3
90.90347	1.0
90.94787	0.4
91.05455	1.5
91.90376	1.2
92.90022	3.1
96.04481	1.4
97.02869	1.2
98.98427	2.4
103.47552	0.4
105.06992	1.3
106.07377	0.6
112.04750	0.8
114.05550	0.7
115.03921	0.8
116.97285	0.4
118.06863	46.5
119.07227	0.4
119.08577	1.2
128.07086	0.6
129.05605	0.4
130.05728	0.5
131.08527	1.2
132.08351	11.3
132.95796	0.4
133.10101	0.9
133.92696	0.5
145.10004	0.5
146.05989	2.8
146.08110	1.0
146.10435	1.1
147.39915	0.4
150.94119	0.6
150.96837	2.7
151.93744	3.4
156.53854	0.4
159.11292	0.6
169.94951	0.7
174.05518	2.2
174.07610	1.3
174.13094	100.0
174.95375	0.6
175.11147	1.1
175.13509	2.3
175.14806	0.8
176.38744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03938	0.9
55.05503	22.4
55.93506	1.0
56.94274	0.9
56.96548	2.5
57.03409	2.7
57.07054	1.2
57.93520	0.7
59.04988	5.5
65.03921	0.9
65.97842	0.9
67.05473	3.2
68.05020	0.7
69.07034	0.8
71.59162	1.5
72.93396	0.8
72.93776	12.9
79.05447	1.9
81.07035	2.7
83.04966	24.2
84.04482	1.0
85.06532	1.2
87.04406	1.5
88.07613	1.0
89.02366	1.6
89.07915	0.8
89.90688	0.7
90.90369	90.5
90.94812	11.3
91.05463	10.4
91.90382	2.4
93.06990	1.0
96.04441	0.9
97.02917	1.0
99.04420	1.0
101.06000	18.2
105.07021	11.0
108.91413	7.7
108.95838	6.0
111.04426	21.0
112.47974	0.9
113.05989	2.5
113.96381	2.7
114.05491	1.1
115.05445	3.0
116.06208	1.5
117.07005	8.1
119.07696	0.9
119.08552	13.7
120.95288	0.7
126.92451	2.9
127.07526	2.7
128.06169	1.7
129.04602	1.4
129.05482	17.3
129.06976	11.0
130.07758	3.3
131.08546	75.2
131.92967	14.4
131.97411	3.6
132.08881	2.7
132.92984	0.9
132.95731	1.3
133.10161	3.8
139.06909	0.8
143.08542	24.2
144.09326	7.6
145.06479	0.9
145.10101	27.6
146.05952	2.2
149.94025	85.1
149.96046	3.6
150.94128	2.8
150.96864	5.1
155.07013	16.5
155.08340	0.9
155.97427	1.4
156.09325	2.2
157.10048	1.1
158.07248	2.6
158.10889	37.8
159.11597	2.3
167.95099	16.3
167.97124	6.5
171.11649	2.2
172.95613	12.1
173.08081	25.2
173.09627	5.8
173.13239	100.0
173.17270	3.4
173.95679	0.8
173.98515	1.9
174.05476	1.8
174.07521	1.4
174.12622	1.1
174.13748	1.2
190.96730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.15090	0.3
53.03954	0.3
55.05508	8.1
56.96563	0.8
57.03431	0.5
57.07073	0.7
59.05002	1.6
65.03957	0.6
67.05499	2.4
68.61156	0.2
69.03423	0.5
69.07057	0.4
70.95865	1.0
71.15800	0.8
72.93790	3.9
79.05499	1.0
81.07059	0.9
82.95615	0.3
83.04977	7.7
85.02911	0.3
86.18255	0.3
87.04466	0.5
87.57738	0.3
89.02402	0.6
90.86528	0.3
90.90370	2.3
90.94817	2.4
91.05473	5.8
93.07055	0.6
99.04452	0.5
101.06011	5.8
102.04672	0.4
103.05431	0.4
105.07026	5.8
107.08593	0.3
108.95861	1.0
111.04441	6.7
111.98477	0.6
113.02389	0.7
113.05993	0.7
113.96471	0.4
115.05451	4.1
116.06281	1.4
117.07017	4.9
118.06538	0.4
118.76653	0.3
119.08578	13.1
120.08895	0.4
127.07545	1.1
128.05293	0.4
128.06190	2.2
129.05496	4.8
129.06987	7.1
129.99519	0.3
130.07825	2.5
131.08562	39.3
131.92989	0.4
131.96053	0.4
131.97424	0.8
132.06537	0.3
132.08873	0.7
132.95764	0.6
133.10114	3.6
137.06010	0.4
141.06960	0.6
142.07764	1.4
143.08554	28.5
144.08122	0.4
144.09351	7.0
145.06473	2.7
145.10118	23.8
146.06009	0.7
146.10492	0.8
149.94058	1.8
149.96072	0.7
149.97189	0.7
149.98460	0.4
150.96855	3.0
155.06001	0.6
155.07056	5.7
155.08382	0.5
155.14267	0.3
155.97411	0.3
156.09346	1.9
157.10127	1.5
158.10904	45.1
159.11179	1.5
167.95119	0.4
167.97156	1.2
171.11703	2.9
173.05977	1.8
173.08174	7.8
173.13252	100.0
173.98495	0.9
174.05479	0.7
174.07608	0.4
174.13658	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	172.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93835	1.5
55.05506	8.0
55.94616	0.6
56.96287	0.7
56.96565	13.3
57.03448	0.8
59.04999	1.2
69.03448	0.6
69.61623	2.8
69.62031	0.7
69.96172	16.5
69.96552	0.8
70.95848	2.3
70.98116	4.8
71.94100	6.3
72.08141	0.5
72.93787	5.0
74.97585	0.8
79.01840	2.0
83.04977	8.4
85.02904	0.7
87.04465	1.2
87.97212	0.9
88.96936	0.5
88.99158	3.1
89.02410	0.7
89.45580	0.4
89.90666	0.5
90.07304	0.4
90.90373	4.4
90.94830	3.2
91.05511	0.5
91.29462	0.4
91.90379	1.5
97.06609	0.5
97.99190	1.4
101.06014	7.5
102.97603	0.4
107.00188	1.1
107.01290	0.5
108.95838	1.1
110.98767	2.1
111.04440	8.7
111.98442	1.9
112.96690	0.7
113.06015	0.9
113.95114	1.2
113.96377	0.6
114.12717	0.5
115.52068	0.4
116.00215	1.6
117.07005	0.7
122.49825	0.9
124.51083	0.4
125.02317	1.2
127.07578	1.3
129.00264	2.1
129.05472	4.7
129.99506	1.3
130.01768	0.8
130.97748	2.6
131.08601	0.9
131.96143	44.5
131.97246	1.5
132.95810	3.2
138.00752	0.6
142.50766	0.9
143.03362	2.4
144.08078	0.9
146.06070	1.0
147.97374	0.6
148.98793	2.2
149.51598	0.6
149.94044	4.6
149.97195	100.0
150.94032	0.7
150.96840	7.4
153.01831	23.6
154.97720	8.9
154.98888	0.7
155.07045	6.0
155.97412	1.3
158.52109	0.9
159.49277	0.5
167.97130	0.8
167.98273	10.7
172.98804	18.9
173.08133	8.6
173.13264	1.3
173.98480	1.3
190.99843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88294	0.6
55.01865	0.8
55.05507	8.1
56.05018	0.6
57.03418	0.7
57.07068	3.8
59.04984	0.7
67.05492	3.4
69.03423	1.7
69.07062	28.0
69.60902	4.3
70.02945	16.3
70.06575	0.8
70.07359	0.7
72.93781	1.7
74.65453	0.6
75.04477	0.8
81.07036	0.8
83.04977	12.3
83.05460	0.5
83.08562	0.5
84.04472	0.7
84.08133	17.1
85.06531	1.3
86.09697	100.0
87.00293	0.8
87.00820	13.7
87.04453	0.8
87.10030	2.5
90.90376	2.9
90.94831	0.7
94.06572	1.5
95.04971	0.9
96.93100	0.5
98.02414	5.4
98.21497	0.8
99.04443	0.7
101.06015	5.6
104.03455	28.5
105.01873	1.2
108.95837	1.0
111.04432	7.3
112.03954	50.3
112.07593	14.3
113.04305	0.7
113.05983	1.1
113.07128	0.8
114.09204	0.5
116.03440	23.7
117.03784	0.6
126.05466	0.5
127.07540	1.0
129.05457	6.1
130.08635	1.2
131.08556	0.9
144.08128	0.8
145.10098	1.0
148.97350	0.9
149.94048	2.7
149.97183	1.2
154.08621	2.1
155.07027	6.8
158.07149	0.9
167.95065	0.8
167.97044	0.7
167.98354	0.7
169.35979	0.6
172.03349	0.5
172.07497	0.8
172.09697	11.5
172.10995	0.8
172.15344	0.6
172.17007	0.8
173.08107	8.9
173.09651	2.2
173.13258	0.8
191.53207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.081
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03946	0.3
55.01873	0.3
55.05504	0.3
56.96553	0.7
62.04006	0.2
65.03934	0.2
68.05022	0.2
70.06584	0.6
70.40968	0.7
70.41364	0.5
72.08154	0.3
73.66711	0.2
79.05484	1.2
79.91151	0.2
80.05009	0.3
81.05778	0.6
82.06556	0.3
94.06533	0.3
95.04964	0.2
96.08125	1.4
98.20801	0.3
98.97528	0.3
106.06536	1.3
119.01878	0.2
119.11450	0.2
120.76738	0.2
123.06783	0.8
124.07574	5.9
125.10744	1.6
134.05998	65.3
135.06355	1.5
152.07047	100.0
153.05484	0.4
153.07423	2.2
170.08102	12.5
171.11226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
52.25029	0.4
53.03928	1.0
55.01862	4.3
55.05506	5.8
55.93510	0.5
56.05011	1.1
56.96560	5.3
57.03430	0.9
57.04541	1.0
57.07064	0.5
59.06119	0.8
60.04514	0.6
65.03931	25.9
66.04266	0.5
67.05492	2.8
68.05008	1.0
68.96314	0.6
68.99780	9.2
69.03429	2.7
69.04555	0.5
69.07050	1.3
70.06567	1.9
70.92068	0.6
70.92439	0.9
70.94257	2.4
71.01342	0.6
71.04981	1.0
71.06091	0.8
71.92994	1.1
72.04503	9.6
72.08137	1.7
72.93779	12.5
73.55446	0.4
74.04767	0.4
75.05590	0.8
79.01836	0.8
79.05473	1.5
81.03407	6.7
81.04507	0.7
81.07056	0.8
82.05324	0.5
82.06570	0.8
83.01322	1.0
83.04971	13.7
83.06069	1.6
83.08606	3.0
84.04494	0.7
84.08134	0.9
85.02909	0.4
85.06530	0.4
85.07661	0.8
86.06057	1.0
86.09684	1.4
86.97364	0.4
87.04463	0.6
87.05604	0.6
88.07600	0.4
88.90890	0.4
88.93243	0.9
88.95274	1.9
89.07140	6.7
89.90646	0.5
89.96411	1.6
90.94814	4.7
91.72308	0.4
93.03383	3.4
93.07036	0.9
94.06571	0.6
95.04948	1.1
95.06081	0.6
96.02114	1.3
96.05623	0.7
96.08120	0.6
97.02878	2.0
97.04010	0.5
97.06490	0.9
97.07622	0.9
98.06041	1.0
98.07204	0.5
98.09645	0.4
98.97572	0.8
99.04453	0.8
99.05567	0.4
99.94827	1.2
100.07601	0.4
106.94275	0.8
106.96326	1.4
107.01300	2.6
107.08616	0.8
107.97454	0.5
108.95853	1.5
109.02855	4.0
109.06469	0.6
109.07624	0.6
109.98949	0.5
110.06058	0.6
110.07178	0.4
111.04426	99.8
111.08025	0.9
111.09183	1.9
112.04086	0.4
112.04710	2.0
112.07610	1.0
113.06012	0.4
113.07105	0.5
113.96380	1.5
114.06615	0.7
116.98582	0.9
117.95865	1.5
121.02876	1.8
121.03972	6.2
124.07610	0.3
125.02293	2.2
125.05939	1.1
125.07066	0.7
125.10791	0.4
125.96101	0.6
126.05528	0.6
126.06599	0.4
126.09163	0.4
127.03907	5.1
127.04830	0.6
128.00038	0.4
128.04239	2.3
128.06168	0.7
128.11792	0.5
128.98631	0.9
129.95810	0.8
129.97902	0.9
129.99535	0.5
130.96259	0.5
131.97409	2.0
134.99626	2.0
135.06401	0.5
138.54156	0.5
139.00266	1.3
139.03882	100.0
140.04202	2.2
143.03366	0.8
143.05905	0.6
143.08345	0.5
144.07965	0.6
146.99628	3.1
147.54675	0.6
147.96887	17.7
148.97368	3.1
150.96820	0.5
153.00659	0.7
153.01781	3.4
153.07448	0.8
153.10214	0.5
153.24300	0.5
154.06244	0.5
154.08601	0.6
154.09711	0.5
155.03348	0.6
155.97479	0.4
156.03696	4.6
156.09352	0.6
157.01283	3.6
165.00745	1.0
165.97957	16.9
166.98250	0.7
170.98544	1.9
171.02904	3.2
171.06561	6.5
171.11290	0.9
171.14886	3.6
171.98965	0.9
172.07233	0.7
173.98462	1.2
187.07513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01852	1.2
55.05492	1.0
55.93504	0.7
56.05030	1.5
56.96560	4.5
57.03428	0.3
57.07056	0.3
58.06583	1.0
59.06100	0.4
60.04508	0.5
61.04045	0.5
65.03925	0.8
67.05488	0.7
68.01044	0.4
68.01382	5.3
68.05016	0.9
68.99775	0.7
69.03414	1.0
69.04533	0.5
69.07036	0.6
69.50086	2.1
69.75975	0.2
70.06586	1.7
70.94239	0.9
70.95850	0.4
71.04990	0.4
71.06094	0.4
71.94102	0.6
72.04504	1.7
72.08130	0.8
72.43711	0.3
72.93777	3.8
73.02911	0.4
74.06076	0.4
75.05566	0.3
79.05470	0.9
80.05020	0.9
80.69809	0.3
81.03404	1.5
81.04512	0.6
81.07045	0.6
82.02906	0.3
82.06573	1.2
83.01349	0.3
83.04958	0.7
83.06102	1.4
83.06896	0.2
83.08620	0.3
84.04495	1.4
84.08126	0.9
84.96027	0.4
85.02929	0.7
85.04018	25.8
85.07657	0.4
86.04392	0.4
86.06054	1.2
86.09703	0.3
88.95296	0.5
88.96860	0.3
89.07114	0.4
89.96426	0.6
90.94813	1.9
91.05448	0.3
92.04982	0.6
93.05251	0.2
93.05776	1.1
94.06540	0.9
95.04947	0.4
95.06094	1.3
96.04475	0.7
96.06860	0.3
96.08120	1.1
97.02882	0.3
97.06533	0.5
97.07644	1.3
98.06046	1.1
98.97570	0.7
99.05564	0.8
100.03967	0.3
100.07590	0.4
101.07126	0.4
102.05511	0.3
106.06554	0.4
106.96363	0.3
107.01316	1.3
107.04941	0.4
107.06073	0.4
108.04487	0.3
108.08114	0.3
108.95887	0.7
109.02875	2.2
109.06503	0.3
109.07655	1.3
110.03224	0.3
110.06036	1.7
110.07160	0.6
110.97529	0.3
111.00762	0.3
111.01907	2.5
111.04450	1.7
111.05552	0.8
111.09200	1.4
112.04790	0.3
112.07594	0.7
113.07092	0.5
113.96393	0.8
114.05515	0.7
116.97223	0.4
116.98602	0.7
117.95891	0.4
122.07151	0.4
123.05558	0.3
123.09190	0.3
124.03951	0.6
124.07576	2.8
124.08556	0.5
125.02314	1.3
125.03558	0.2
125.04590	0.3
125.05979	0.6
125.07109	1.0
125.96114	0.4
126.05470	0.8
127.03966	1.8
127.08654	0.6
128.04547	100.0
128.95070	0.9
128.96271	0.2
128.98590	1.0
129.02953	0.8
129.04893	1.1
129.06555	0.2
129.95807	0.3
131.97450	0.8
134.06004	4.0
134.99640	0.8
135.05516	0.4
135.09151	0.2
136.06316	0.3
136.07539	0.3
138.54152	0.3
139.00241	0.5
139.03896	1.4
141.05414	0.3
142.04895	0.6
142.05858	0.6
142.08653	1.2
143.08131	0.3
146.96109	1.4
146.97345	3.4
146.99609	2.8
147.01376	0.3
147.96895	5.2
152.03464	0.3
152.04561	0.7
152.07050	6.2
152.08122	0.5
153.01804	1.9
153.05414	0.4
153.06564	0.4
153.10205	0.8
155.01308	0.3
155.03391	1.3
155.97417	0.3
157.01315	1.7
164.97136	0.3
164.98378	1.9
165.00696	0.7
165.97958	4.9
169.98979	0.6
170.01878	0.2
170.04431	3.0
170.05652	6.7
170.08080	3.4
170.09520	3.5
170.11652	0.6
170.12921	0.9
170.98521	0.6
171.02855	1.1
173.02838	0.3
178.85832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48563	1.6
71.49797	1.9
96.92211	3.3
110.98451	100.0
112.89609	14.9
128.83688	1.7
141.19441	1.3
143.03241	1.3
170.05766	63.6
173.80760	1.4
176.96712	1.8
182.47589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
52.61385	0.9
53.00287	1.1
53.03938	1.6
54.67330	1.1
55.01861	9.9
55.05508	9.8
56.96542	1.2
57.03443	5.4
57.06820	2.0
57.07074	24.5
59.04995	5.2
59.06104	1.3
62.12770	0.9
65.03925	5.1
67.05502	44.9
68.99790	1.4
69.03427	50.4
69.07066	19.6
70.52146	2.2
70.52531	3.3
71.04990	31.1
72.05306	1.3
73.06561	1.2
74.77324	1.2
79.05492	11.0
80.30673	0.9
80.37746	1.2
81.03426	6.4
81.07054	68.8
82.06513	1.2
82.07376	1.5
83.04971	17.3
83.06053	1.3
83.08603	5.3
85.02901	7.4
85.06540	100.0
86.06881	1.8
91.05455	3.7
93.07044	10.7
93.38895	1.0
95.01304	1.2
95.04962	16.1
95.08601	19.6
97.06507	8.1
97.07634	1.9
97.10137	1.5
99.04466	6.6
99.08095	3.2
105.07029	8.9
107.08593	13.0
109.02863	8.3
109.06513	24.2
109.10151	71.7
110.07122	2.1
110.10471	1.4
110.80163	1.2
111.00771	3.5
111.04467	1.6
111.08076	15.6
111.09190	4.4
113.02393	1.4
113.06003	15.9
113.61148	1.0
119.08543	1.5
121.10133	26.3
123.00768	1.3
123.08071	19.4
123.11700	79.2
124.08537	1.0
124.12016	2.1
125.06009	2.1
125.09611	3.1
126.03139	6.0
127.03925	1.9
127.07552	1.2
128.95126	1.3
133.10115	6.4
136.08827	1.9
139.11174	23.9
141.05464	19.4
146.96127	2.1
151.07549	3.2
151.09944	1.6
151.11172	32.4
152.08179	1.2
154.02599	1.1
169.01309	1.8
169.04994	5.3
169.07524	7.8
169.12234	81.5
170.06000	1.3
170.08008	1.6
170.09605	1.1
170.12657	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	169.1221
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
51.02380	1.0
53.03928	2.1
55.01863	100.0
55.05505	9.6
56.02181	1.1
56.96548	2.1
57.03413	4.1
57.06818	1.4
57.07064	18.6
59.04977	4.4
59.06108	1.0
65.03913	3.1
67.05493	45.8
69.03419	39.6
69.07056	42.3
69.58569	8.8
70.07380	1.3
71.04977	23.2
73.06548	1.3
79.05476	16.2
81.03397	3.9
81.07042	67.7
82.06563	1.3
82.07353	1.9
83.04967	16.6
83.08599	5.5
84.08116	1.3
85.02883	7.3
85.06528	95.8
86.06843	1.8
91.05466	9.7
93.07026	11.1
95.04951	12.8
95.08591	61.1
96.08918	1.2
97.06507	16.1
98.21525	1.8
99.04439	6.1
99.08074	3.0
100.33730	1.1
101.72429	1.0
103.05462	1.1
103.74914	1.1
103.95667	1.4
105.07013	17.7
107.04916	3.3
107.08575	20.4
109.02854	4.2
109.06499	35.1
109.10136	61.8
110.07151	1.1
111.00757	3.5
111.04458	2.5
111.08060	13.0
111.09153	2.5
113.05975	12.8
121.10109	26.0
123.04401	1.3
123.08051	28.1
123.11684	61.5
124.07542	2.1
124.12057	1.4
125.09572	5.0
126.02257	0.9
126.03114	3.6
127.07545	2.6
130.80089	1.0
133.06436	2.1
133.10095	4.7
136.08768	1.2
138.10379	1.1
139.11142	20.5
141.05463	10.2
141.06465	1.5
141.06979	1.6
146.96086	1.8
151.07504	5.8
151.11151	25.6
152.06985	1.2
169.05028	5.1
169.06271	1.7
169.07399	1.4
169.08777	5.9
169.12209	64.7
170.09601	2.4
170.12479	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	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03942	0.7
55.01866	100.0
55.05507	3.4
55.93517	1.0
56.02198	1.1
56.05018	0.4
56.96560	3.3
57.03438	0.5
57.07075	0.7
59.06122	0.5
65.03943	2.3
67.05500	13.2
67.93555	0.3
68.99781	1.3
69.03420	1.1
69.07060	27.7
69.57154	1.1
69.57587	1.3
70.06576	0.4
70.07396	0.4
70.95856	0.4
71.04985	1.6
71.08636	0.4
73.02904	0.4
75.18159	0.2
79.05486	9.2
80.05777	0.3
81.03408	3.3
81.07047	8.2
82.06566	0.4
83.04973	1.1
83.06075	0.4
83.08615	0.5
84.08159	0.6
85.02885	0.7
85.06554	1.7
85.07661	0.5
86.06072	0.6
86.08408	0.6
88.96864	0.8
91.05470	7.5
93.07023	3.1
95.04970	2.6
95.08597	52.1
96.08933	1.0
97.05898	0.6
97.06524	11.8
98.20715	0.4
99.04443	1.9
99.05573	0.4
103.05428	0.4
103.95638	0.4
105.07018	12.2
107.04953	2.3
107.08583	9.2
108.08177	0.3
109.02870	5.1
109.06507	15.5
109.07628	0.7
109.10143	1.7
110.06036	0.5
110.07132	1.1
111.00804	3.5
111.03796	0.6
111.04509	1.7
111.08030	1.3
111.09185	1.3
113.06010	0.5
113.13627	0.3
113.96394	0.3
115.05461	0.4
118.94267	0.3
119.06023	0.9
119.95109	0.5
120.04369	0.3
123.04436	0.7
123.08054	16.5
123.11680	2.6
124.04620	1.1
124.08594	0.5
125.05956	0.6
126.03114	4.3
126.10233	0.5
126.96420	0.4
127.03879	1.3
127.07514	0.8
128.95038	1.2
133.05107	0.7
133.06479	2.4
137.01242	0.6
141.05447	13.6
141.06639	0.4
141.06993	0.7
141.12724	0.4
146.04134	0.4
146.96089	2.4
146.97249	0.6
151.07527	6.7
151.11136	0.8
151.23521	0.4
152.07011	0.7
152.08109	0.5
154.02609	0.4
154.07713	0.8
163.97653	0.9
169.04955	4.5
169.07500	3.3
169.08592	4.7
169.10017	0.8
169.12282	1.5
170.04466	0.4
170.05911	0.4
170.08099	0.7
170.09595	0.6
176.62994	0.3
181.98730	0.8
187.04076	0.3
188.25156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0857
Annotation	2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Peak:m/z	Relative Intensity
50.42148	0.4
50.50425	0.4
53.03935	1.1
55.01865	100.0
55.05506	5.4
55.69936	0.5
56.02207	1.2
56.96553	0.9
57.03428	1.4
57.07068	5.5
59.04994	1.2
59.06115	1.1
60.86480	0.4
60.87971	0.4
65.03941	2.1
67.05495	20.5
69.03419	10.5
69.07059	29.5
70.07388	0.9
70.11231	1.0
70.11645	1.7
71.04976	7.1
71.08594	0.5
74.56681	0.5
77.35220	0.5
79.05479	11.5
81.03406	3.0
81.07046	21.9
83.04968	4.6
83.06084	0.8
83.08591	1.4
84.08138	0.6
85.02884	2.0
85.06533	24.0
91.05472	7.7
93.07033	5.0
95.04960	5.4
95.08593	51.8
96.08928	1.6
97.06522	11.8
98.20836	0.7
99.04450	2.9
99.08072	1.2
99.39619	0.6
103.10522	0.5
105.07012	11.5
105.07667	0.8
106.76722	0.5
107.04948	2.4
107.08570	10.6
109.02859	3.9
109.06503	20.0
109.07629	0.8
109.10139	16.2
110.07062	0.7
111.00776	3.1
111.04424	1.7
111.08067	6.4
111.09174	1.9
113.05979	4.3
115.05445	0.5
115.32611	0.5
121.10120	6.1
123.04420	0.6
123.08056	17.8
123.11687	17.4
124.04594	0.7
125.09597	1.2
126.03115	3.3
127.03831	0.6
127.07565	0.8
127.11172	2.0
128.95038	0.7
133.06465	1.7
133.10120	1.5
136.08847	0.6
139.11150	4.7
141.05455	8.6
141.06932	1.7
146.96065	0.6
151.07512	6.7
151.11154	6.4
152.08163	0.9
163.97755	1.0
169.04924	3.2
169.06429	3.0
169.08728	6.0
169.10042	0.8
169.12218	17.9
170.08138	0.6
170.09564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0858
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.03943	0.8
55.01865	100.0
55.05503	2.5
56.02205	0.9
56.96567	0.4
63.31289	0.3
63.94812	0.3
65.03939	1.2
67.05496	10.0
69.07059	26.5
70.71089	0.5
70.71416	1.0
70.80091	0.4
71.05002	1.0
79.05485	8.5
80.05843	0.4
80.06294	0.4
81.03403	1.5
81.07051	5.9
85.06524	0.5
86.08450	0.4
91.05473	8.8
93.07027	2.9
95.04993	1.2
95.08593	46.4
96.08933	1.0
97.06523	11.3
97.07139	0.7
99.04433	0.8
105.07020	10.5
107.04934	2.3
107.08584	9.3
109.02888	1.2
109.06503	13.9
109.10169	0.6
111.00804	0.9
111.08058	0.7
111.09219	0.9
119.06063	0.8
123.08056	15.2
123.08928	0.8
123.11776	0.7
124.08539	0.4
126.03157	1.4
127.07599	0.6
133.06462	2.5
141.05467	3.5
141.07104	0.6
151.07538	5.9
151.11266	0.5
169.05003	1.1
169.07703	0.4
169.08687	5.0
176.32069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	480-66-0
Peak:m/z	Relative Intensity
51.02374	0.3
53.00282	0.4
53.03931	1.2
53.53191	0.4
54.03447	0.6
54.93818	1.0
55.01864	1.9
55.05508	2.1
55.93509	0.6
56.05017	1.5
56.96560	1.7
57.03427	2.0
57.05339	0.4
57.07050	0.4
58.06574	0.5
59.06111	2.5
60.90943	0.4
60.95831	0.7
65.03944	1.8
65.04242	0.4
67.01845	1.2
67.05497	9.1
68.05011	1.3
68.99792	2.0
69.03415	1.2
69.07053	1.4
70.06572	1.3
71.01343	0.8
71.04977	1.1
71.29973	0.5
71.30328	0.6
71.94070	1.2
72.04491	0.5
72.08159	1.9
72.93780	0.3
73.02905	0.6
77.03894	0.6
79.05495	2.1
81.03403	3.5
81.04532	0.6
81.07043	2.4
82.02961	0.5
82.03769	0.3
82.06554	1.1
82.83045	0.4
83.01350	0.5
83.04961	1.2
83.06087	1.4
83.08586	0.4
84.04491	0.4
84.08132	3.0
85.02902	3.3
85.04031	0.4
85.06523	0.5
85.07650	1.3
85.94576	0.7
86.06050	0.8
86.08416	0.7
87.09209	0.3
88.96873	0.5
89.95173	0.4
91.05464	1.1
93.07020	0.7
94.06536	1.0
95.01311	5.3
95.04957	14.4
95.05961	0.6
95.08581	1.2
96.04484	0.6
96.08118	0.8
97.02895	0.5
97.06493	0.7
97.07635	0.8
98.03686	0.5
98.06043	0.4
98.07148	1.0
99.04424	0.6
99.05545	0.5
100.03979	0.4
103.95587	0.4
104.07069	0.4
105.03372	1.6
105.04450	0.4
105.06988	0.8
107.04925	0.7
107.08553	0.5
108.02107	0.5
109.02871	7.2
109.06483	1.5
109.07645	2.1
109.10138	0.6
110.02386	0.6
110.03677	0.9
110.06038	1.1
110.07185	1.7
111.00785	3.3
111.04454	1.9
111.05548	1.0
111.08051	1.1
111.09190	8.6
112.05152	0.5
112.96713	0.5
113.02353	12.0
113.05962	0.7
114.05493	1.0
119.04955	0.6
122.03719	0.3
123.00778	3.3
123.04415	18.0
123.08044	1.9
123.09016	0.5
123.11716	0.7
124.04702	0.4
124.07594	0.8
124.08679	1.0
125.02322	0.6
125.06004	0.8
126.03126	6.6
126.05472	0.4
126.06516	0.4
126.10233	0.9
127.03971	1.7
127.07534	0.6
127.08588	0.3
127.95422	0.8
128.03369	0.4
128.08214	0.4
128.95079	0.7
134.06041	0.4
136.06174	0.4
137.02328	2.3
138.01805	0.5
139.03900	0.6
141.01826	4.3
141.05450	14.7
142.05798	0.5
145.96440	0.6
145.98814	0.5
146.96098	2.6
146.97263	2.5
149.97156	0.6
151.03880	0.8
151.07518	0.8
151.08624	0.8
151.09738	0.6
152.07011	1.4
152.08138	0.8
152.11853	0.8
153.01816	31.0
154.02589	41.7
155.03032	1.1
156.02873	0.5
159.02809	0.4
163.97673	1.0
164.00040	0.4
164.98282	2.3
168.95891	0.7
169.01321	11.6
169.04942	100.0
169.07460	4.6
169.09721	1.4
169.10875	1.4
169.14496	0.8
170.05571	2.3
170.08064	0.7
170.09439	0.8
175.55727	0.3
181.98709	0.8
186.96866	0.5
187.02303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	480-66-0
Peak:m/z	Relative Intensity
53.00278	0.5
53.03941	0.8
53.64522	0.3
54.93817	1.2
55.01852	1.3
55.05500	0.8
55.93532	0.4
56.05021	1.1
56.96551	1.0
57.03409	1.0
57.07065	0.4
58.28812	0.3
59.06100	0.6
60.98071	0.3
65.03942	1.7
67.01854	0.9
67.05164	0.6
67.05498	7.3
68.05000	0.5
68.99769	1.7
70.06567	0.6
70.18806	1.6
71.01342	0.6
71.04965	0.5
71.94077	1.0
72.08136	0.6
77.03915	0.5
79.05485	1.0
81.03411	2.4
81.07037	0.8
82.06574	0.4
83.01325	0.5
83.04974	0.9
83.06095	0.8
84.08119	1.1
85.02898	2.8
85.51360	0.3
89.52648	0.3
91.05449	0.5
93.07030	0.5
94.04166	0.3
94.06556	0.5
95.01328	4.5
95.04956	13.9
95.08595	0.7
97.02888	0.4
98.05999	0.4
98.07138	0.3
98.21079	0.8
99.04444	0.6
100.03911	0.5
105.03370	1.1
107.04945	0.7
109.02879	4.3
109.06503	0.5
109.07600	0.7
109.10147	0.4
110.02447	0.4
110.03676	1.0
110.06001	0.5
110.07185	0.4
111.00805	2.0
111.04433	1.0
111.09201	2.7
112.96711	0.7
113.02358	8.6
114.05517	0.9
123.00769	2.9
123.04413	16.5
123.08065	0.7
123.11668	0.4
124.04733	0.4
124.07601	0.4
124.08666	0.5
126.03103	3.6
126.10236	0.5
127.03873	1.2
127.95393	0.6
128.03386	0.6
128.95139	0.4
130.97717	0.6
133.02859	0.5
136.06194	0.5
137.02342	2.0
139.03899	0.5
141.01825	4.1
141.05449	7.5
143.00829	0.3
145.96454	1.0
145.98833	0.5
146.49908	0.3
146.96111	1.1
146.97260	1.6
151.03873	0.9
151.07539	0.9
152.07103	0.4
152.08229	0.5
153.01813	31.8
154.02592	41.5
155.03052	1.2
156.02911	0.5
159.02847	0.6
164.98277	1.3
167.09247	0.4
169.01337	8.4
169.04941	100.0
169.16998	0.8
170.04234	0.6
170.05617	2.1
170.08052	0.4
187.02232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0655
Annotation	C20821
Peak:m/z	Relative Intensity
51.52933	3.0
51.92158	2.8
53.03938	21.0
53.97218	3.1
55.01853	15.3
55.05494	4.6
56.94286	4.1
56.96564	19.4
57.03428	6.3
58.99843	4.4
60.24155	3.2
61.02930	4.0
65.03922	10.3
67.05492	8.3
67.92498	7.0
68.05017	7.2
68.99765	4.0
69.03439	19.8
69.07053	13.6
70.06577	11.0
71.01341	3.9
71.04978	12.9
71.58027	4.1
71.58426	3.1
72.93784	13.5
73.02905	8.6
77.00892	4.5
79.05463	8.9
80.05003	12.4
81.03408	58.6
81.07050	9.3
82.06555	12.3
82.94829	11.4
83.04955	9.4
84.04494	13.9
84.93833	4.3
85.02895	21.7
85.04015	8.7
90.94807	8.9
94.02876	3.5
94.06564	19.6
95.01311	9.8
95.04964	11.6
95.06071	5.6
95.08595	7.0
96.04488	10.3
96.08151	4.1
97.02882	14.1
97.06551	6.8
98.06055	24.2
99.04430	22.4
100.02467	12.4
100.03988	8.4
101.00883	13.4
102.94861	8.4
103.15764	3.8
105.01963	3.6
107.04896	3.2
108.04468	11.5
108.95860	5.2
109.02872	96.5
109.06469	5.3
110.06039	22.4
111.00790	15.2
111.04419	14.4
112.03923	5.0
112.07569	5.6
115.02352	3.7
116.98601	6.1
118.03512	12.5
119.01904	50.2
120.95911	3.5
121.01644	5.3
122.06030	34.5
122.09618	6.7
123.00780	31.8
123.04392	11.3
123.08051	5.6
123.97438	7.4
124.03894	7.6
125.96420	8.3
126.03133	22.1
126.05521	37.5
127.03914	55.5
127.04825	6.6
131.01961	7.4
131.94992	4.2
132.01953	5.0
132.38029	3.7
133.03464	6.0
134.99651	5.6
137.02951	16.3
138.05467	6.6
140.03413	15.3
140.07022	17.9
141.01819	4.0
141.05472	60.1
143.97461	8.8
144.95816	25.2
144.99802	17.8
145.03467	14.7
146.99728	3.8
149.02895	4.1
150.05486	37.3
150.09109	4.7
151.03882	6.4
151.06161	3.8
152.07039	5.7
161.02940	3.9
162.96007	4.5
162.96948	36.7
162.99120	15.2
163.00858	10.6
163.02664	6.7
163.04462	5.6
168.01540	4.8
168.02899	13.5
168.05190	4.3
168.06546	100.0
168.07977	8.4
168.10121	9.8
168.11325	76.5
169.04974	20.0
169.07558	29.4
181.01767	4.2
185.97379	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	168.0654
Annotation	Orthoform
Peak:m/z	Relative Intensity
50.48841	0.2
53.03922	0.5
55.01864	0.2
55.05486	0.3
56.96545	0.4
59.06089	0.2
65.03925	0.6
67.05499	0.2
68.05003	0.6
68.99801	0.4
69.03379	0.1
69.04517	0.2
69.07048	0.3
70.06573	0.2
71.04946	0.2
71.15848	0.3
79.05465	0.5
80.04999	1.1
81.03404	1.5
81.05775	0.8
81.07027	0.3
82.06548	0.4
83.04963	0.3
83.06120	0.2
84.04488	0.2
84.08137	0.3
84.93774	0.2
85.02893	0.4
85.03973	0.1
85.07660	0.2
86.93745	0.1
92.04987	0.7
94.06541	0.4
95.01302	0.4
95.04944	0.4
95.06045	0.3
95.08598	0.2
96.04469	0.2
96.06908	0.2
97.07621	0.5
98.03653	0.3
98.06023	0.2
98.07121	0.2
98.21349	0.2
99.04453	0.2
102.94841	0.3
103.95628	0.2
108.04465	1.9
109.02859	2.7
109.05201	0.7
109.07634	1.4
110.03675	0.2
110.06013	0.7
110.07142	0.3
111.00785	1.4
111.04441	0.8
111.05587	0.2
111.09193	0.6
111.25680	0.1
122.02367	0.7
122.06035	0.4
122.07074	0.2
122.63727	0.2
123.05438	0.2
123.09133	0.4
124.07563	0.2
125.02332	0.2
125.05990	0.3
125.96402	0.3
126.03108	2.3
126.05495	12.3
126.10254	0.2
127.03938	0.2
127.05863	0.3
136.03922	1.7
138.05457	0.7
140.02422	0.2
140.03380	0.4
140.07030	0.3
141.04314	0.2
141.05440	5.5
144.95837	0.5
150.05524	0.4
150.09122	0.2
150.10251	0.2
151.03909	0.2
151.08632	0.4
151.10655	0.2
153.04199	0.3
154.02554	0.3
154.04979	2.6
158.01169	0.2
162.96912	0.3
168.06529	100.0
168.11217	2.0
169.04947	1.7
169.06874	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
52.03149	0.6
53.03934	2.1
55.01857	1.8
55.05506	5.4
56.05019	0.7
56.05837	0.8
56.96558	7.6
57.03415	1.5
57.07066	0.8
57.59236	0.5
65.03936	1.3
66.04727	1.1
67.01868	0.5
67.05496	4.5
67.93552	0.8
68.05030	0.5
69.03411	1.5
69.07064	5.0
69.35487	1.0
69.35885	4.2
70.06581	0.6
71.04968	1.0
71.09755	0.6
72.93771	1.1
76.00926	0.5
77.03900	0.7
77.99021	0.5
78.04705	15.4
79.05058	1.0
79.05484	10.6
81.03410	2.2
81.04529	0.6
81.07057	6.6
82.06582	1.0
82.07351	0.5
83.04987	2.8
83.06093	0.7
83.08598	1.8
84.04518	0.6
84.93820	1.2
84.96027	5.9
85.02890	1.1
85.06507	0.7
91.05474	4.5
93.07033	11.7
94.04156	0.7
95.04962	5.5
95.08611	4.7
96.05730	1.6
97.06525	3.0
97.10162	0.9
98.06039	0.7
102.94847	3.6
102.97046	1.8
103.00629	1.0
105.03357	0.9
105.04485	1.1
105.07024	3.0
105.83009	0.6
106.04157	5.7
107.04380	0.5
107.04960	4.9
107.06078	0.6
107.08589	9.8
109.02843	3.6
109.06517	3.4
109.07617	1.9
109.10133	3.2
110.03672	0.7
110.08391	0.5
110.10491	0.8
111.04432	1.9
111.08072	2.8
118.94334	0.6
119.08549	1.0
120.95892	1.2
120.98107	0.9
121.00845	0.9
121.01653	12.5
121.02319	0.5
121.02943	1.1
121.06490	2.9
121.10136	7.5
122.03643	1.9
122.04858	0.6
122.06039	1.0
122.07117	1.7
123.04420	25.7
123.08046	2.4
123.11695	0.7
124.05222	11.2
124.54834	0.8
125.05965	2.0
125.08226	1.0
125.09608	1.5
125.96430	2.1
126.05486	1.5
126.06521	0.5
127.03863	0.5
131.08585	0.9
134.03575	1.3
134.56821	0.7
135.04372	1.1
137.05977	1.3
137.98328	0.7
138.03125	0.8
139.02699	7.6
139.03719	0.9
139.07513	1.9
139.11107	0.7
139.20975	0.5
140.00333	0.7
143.57454	1.0
143.96536	1.0
143.97472	1.8
143.99641	0.6
144.03197	8.8
144.95804	2.7
149.02284	2.0
149.05972	1.8
149.09608	3.7
149.13243	1.6
150.05521	0.7
150.10292	1.0
151.03876	5.3
152.04651	6.5
152.57939	0.8
162.04295	4.2
162.96928	2.1
162.99196	0.6
167.03514	2.8
167.07025	100.0
167.10623	4.6
167.14334	2.4
168.06339	1.3
168.07607	3.5
168.11279	2.0
175.76476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02367	0.5
53.03923	1.8
54.35914	0.4
55.01862	0.6
55.05496	0.9
56.96546	0.8
58.78307	0.4
62.74906	0.4
65.03931	0.9
65.08971	0.4
66.04723	1.2
67.05483	1.2
68.99766	0.4
69.03407	0.6
69.07046	1.4
70.41501	0.4
71.04395	1.0
76.56867	0.4
77.03919	0.7
78.04701	17.1
79.05480	9.0
81.03390	0.6
81.07043	3.0
83.04950	1.1
83.06091	0.4
83.08587	0.7
84.34350	0.4
84.96021	1.2
85.06517	0.8
91.05465	1.7
93.07024	3.0
94.04166	1.7
95.04955	4.1
95.08570	0.7
96.05718	1.4
97.06509	1.6
102.94864	1.0
105.03369	1.1
105.04501	0.5
105.07001	1.3
106.04166	6.9
107.04290	0.5
107.04954	7.2
107.08588	2.9
109.02885	1.9
109.06489	1.5
109.07635	0.5
110.08391	0.5
111.08056	0.6
121.01659	2.6
121.06473	1.3
121.10114	3.6
122.03639	1.8
123.04413	29.0
123.08035	0.5
123.11668	0.4
124.05207	9.8
124.06105	0.7
125.05944	1.2
125.96410	0.5
128.18269	0.4
134.03606	1.8
135.04417	1.0
137.05977	1.3
138.03062	0.7
139.02686	1.5
139.07506	0.9
144.03227	1.8
144.95821	0.6
149.02272	0.5
149.09610	1.0
150.10254	0.7
151.03886	5.6
152.04674	6.9
152.05827	0.8
165.05565	0.4
167.07018	100.0
167.14194	0.8
168.04224	0.9
168.07431	3.4
172.89917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01582	0.3
51.02359	0.5
52.03153	0.3
53.03938	2.0
55.01865	0.5
56.96569	0.2
59.06106	0.4
65.03920	0.8
66.04705	1.7
67.05495	1.1
67.96767	0.2
68.99790	0.3
69.03416	0.4
69.07044	0.4
69.89816	0.2
71.04953	0.3
71.28738	0.4
77.03905	0.8
78.04701	16.3
79.05483	14.6
81.03395	1.3
81.07036	2.3
82.06562	0.5
83.04976	0.5
83.28699	0.2
84.96024	0.3
85.02886	0.4
91.05460	2.0
92.02641	0.3
93.03396	0.8
93.07034	2.0
94.04176	2.1
95.04361	0.3
95.04962	5.8
95.08588	0.3
96.05732	1.5
97.06502	0.6
103.05440	0.3
105.03397	1.5
105.04502	0.7
105.06998	0.5
106.04163	6.1
107.04947	14.7
107.08556	1.4
108.05270	0.4
109.02869	1.8
109.06514	1.4
109.07613	0.8
111.04414	0.5
111.08065	0.5
120.02061	0.2
121.01643	0.8
121.02848	0.4
121.06503	1.2
121.08424	0.3
121.10133	1.4
122.03638	2.7
122.07098	0.6
123.04415	28.0
124.05218	11.3
125.06015	1.9
134.03621	1.3
135.04408	2.1
137.02301	0.8
137.05980	1.4
138.03078	0.5
139.02559	0.2
139.07520	0.6
140.03433	0.2
144.03249	0.7
149.02353	0.5
149.05916	0.7
149.09579	0.5
150.10242	0.5
151.03886	6.5
152.04672	7.0
153.05363	0.3
162.96954	0.3
167.07016	100.0
168.04172	0.8
168.07457	3.2
168.11295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02371	0.6
52.03160	0.7
53.00287	0.3
53.03931	1.0
55.01854	0.7
55.05496	0.9
56.05025	0.8
56.96551	0.3
58.78043	0.3
59.06114	0.8
65.03915	1.2
66.04711	1.0
67.05496	1.0
68.05010	1.1
68.99776	0.5
69.03410	0.8
69.07050	0.7
70.06567	0.8
71.00806	0.9
71.04955	0.5
78.04705	17.4
79.05055	0.5
79.05482	6.5
80.05006	0.5
81.03426	1.4
81.04530	0.5
81.07045	1.7
82.04166	0.4
82.06568	1.0
83.04962	1.2
83.06081	0.6
83.08627	0.3
84.96023	0.6
85.02898	0.8
85.07639	0.6
91.05466	2.4
93.03393	0.7
93.07036	3.0
94.04161	0.9
94.06553	0.5
94.52797	0.3
95.04953	4.1
95.06059	0.3
95.08586	0.8
96.05722	1.2
97.06501	0.7
97.07640	0.6
99.05470	0.3
102.94851	0.9
105.03373	1.0
105.07007	0.9
106.04163	5.7
107.04969	2.8
107.08578	4.0
108.05579	0.3
109.02860	2.7
109.06483	1.3
109.07632	2.7
110.03648	0.6
110.06044	0.3
110.07146	0.8
110.08392	0.9
110.60320	0.3
111.04424	1.2
111.08026	0.8
111.09190	0.9
112.43091	0.3
115.20464	0.2
120.02069	0.4
121.01643	1.9
121.02863	0.6
121.06494	1.5
121.08391	0.3
121.10111	1.9
122.03629	1.6
122.06078	0.4
122.07146	1.4
123.04417	30.5
123.08008	0.6
124.05209	11.3
124.08663	0.7
125.06029	0.5
125.08228	1.0
125.09663	0.5
125.96464	0.4
126.05506	0.6
126.06582	0.3
127.07375	0.3
134.03596	1.8
135.04434	1.7
135.05260	0.3
136.45850	0.3
137.02312	0.6
137.05977	1.2
138.03127	0.8
139.02715	1.0
139.03888	1.2
139.07544	0.7
144.03233	1.0
144.95822	0.6
149.02338	0.8
149.05954	0.6
149.08295	0.4
149.09586	1.2
150.05496	0.4
150.06575	0.5
150.10219	2.4
151.03873	6.1
152.04672	7.1
160.54974	0.3
162.04231	0.4
165.05461	0.4
167.07021	100.0
167.10501	1.7
168.04173	0.8
168.07582	2.8
168.11284	1.3
169.82036	0.3
174.10780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01562	0.3
50.73196	0.2
50.96724	0.3
50.97921	0.2
52.03152	0.5
53.03941	1.4
55.01856	0.3
55.05495	0.4
57.03427	0.4
65.03930	0.8
66.04694	1.0
67.05482	0.7
68.99788	0.5
69.03409	0.3
69.07057	0.5
77.03870	0.5
78.04703	17.5
79.05055	0.6
79.05479	4.8
80.02637	0.2
81.03419	0.7
81.04469	0.3
81.07053	1.4
83.04945	0.6
84.93780	0.3
84.96015	0.7
91.05470	1.1
91.68877	0.2
93.03385	0.4
93.07016	1.2
94.04154	1.1
95.04963	3.2
96.05750	1.3
97.02885	0.4
97.06528	0.3
102.94811	0.3
105.03364	1.6
105.04504	0.6
105.07021	0.4
106.04163	6.6
107.04955	3.7
107.08562	1.1
109.02881	1.7
109.06487	0.7
109.07636	0.5
110.03661	0.4
111.08043	0.6
120.02109	0.4
121.01652	1.4
121.02874	0.5
121.06446	0.8
121.10129	0.6
122.03635	1.9
122.07115	0.4
123.04414	29.8
124.05215	9.4
124.11905	0.3
125.05936	0.4
125.08185	0.3
134.03601	1.9
135.04391	0.9
137.02315	0.4
137.05975	1.0
138.03091	0.9
139.02629	0.6
139.07535	0.5
144.03163	0.4
144.95914	0.3
149.02359	0.4
149.05927	0.4
149.09627	0.4
150.10274	0.4
151.03882	5.5
152.04669	5.2
161.09097	0.3
162.04309	0.3
162.96965	0.4
165.05464	0.3
167.07016	100.0
168.04175	0.6
168.07404	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02368	0.4
52.03160	0.4
53.03937	2.0
55.01853	1.4
55.05505	2.9
56.05029	0.5
56.96556	3.4
57.03413	1.4
57.07048	0.7
59.04977	0.7
59.06122	0.7
65.03918	1.2
66.04697	0.9
67.01856	0.5
67.05496	3.8
67.93544	0.5
68.05013	0.4
69.03423	1.9
69.06720	0.5
69.07059	6.6
70.06560	0.4
71.04978	1.1
71.59419	0.5
72.93765	0.6
74.56828	0.4
76.03136	0.4
77.03890	0.4
78.04704	15.7
79.05484	11.0
79.05953	0.5
80.02176	0.4
81.03408	1.8
81.07052	6.2
82.06560	0.5
83.04975	1.9
83.08592	1.7
84.08108	0.4
84.93809	0.8
84.96021	3.4
85.02870	0.6
85.06544	1.0
90.94808	0.4
91.05467	4.0
93.03379	0.7
93.07034	10.4
94.04160	1.4
94.06535	0.6
95.04964	4.9
95.08592	5.1
96.05730	1.3
97.02866	0.7
97.05978	0.3
97.06513	2.5
97.07634	0.5
97.10126	0.6
98.06078	0.5
98.98119	0.4
102.94853	3.0
102.97023	1.2
103.00648	0.5
103.05400	0.4
104.05817	0.5
105.03371	1.1
105.04472	0.8
105.07020	2.6
106.04163	5.4
107.04963	4.2
107.08584	12.5
108.72788	0.3
109.02873	3.6
109.06520	3.9
109.07627	1.6
109.10155	1.8
110.03628	0.5
110.08459	0.6
111.04418	1.5
111.08060	1.9
116.98641	0.4
117.95936	0.4
120.02074	0.7
120.95891	1.4
120.98096	0.9
121.01645	7.5
121.02926	0.7
121.06495	2.2
121.07729	0.5
121.08437	3.3
121.10124	9.9
122.03652	1.6
122.06017	0.6
122.07120	1.2
122.14951	0.4
123.04415	29.0
123.08053	1.6
123.11690	1.2
124.05214	9.1
124.08707	0.6
125.06056	2.1
125.07008	0.4
125.08193	1.1
125.09616	0.8
125.95537	0.4
125.96424	1.7
126.05530	0.7
126.06612	0.4
127.03902	0.5
127.07558	0.4
131.08527	1.1
134.03639	1.4
135.04379	1.1
137.02336	0.5
137.05952	1.5
137.98373	0.4
138.03072	0.9
139.02679	4.2
139.03799	0.7
139.07512	1.4
139.11150	1.2
143.96492	0.5
143.97607	1.8
144.03220	4.2
144.95834	1.5
149.02319	1.6
149.05989	1.9
149.09598	4.6
149.13231	2.3
150.05482	0.6
150.06561	0.5
150.10201	1.2
151.03879	5.5
152.04669	6.1
152.06126	1.4
162.04263	2.0
162.96921	1.3
165.07030	1.2
167.03441	3.2
167.07022	100.0
167.08336	3.5
167.10617	3.8
167.14302	1.3
168.06349	1.1
168.07376	2.3
168.11234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02386	0.1
53.03942	0.1
65.91003	0.1
69.43008	0.1
69.43291	1.2
77.03912	0.2
79.05486	1.6
91.05480	1.0
93.07033	2.7
95.04958	0.5
103.05458	12.0
104.05764	0.3
107.04961	2.0
117.73865	0.1
118.06540	0.2
120.08092	100.0
120.27075	0.2
121.07655	0.3
121.08431	3.0
131.04904	2.2
149.05972	0.6
166.08641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.4
53.03942	1.4
54.03452	0.5
55.01869	5.0
55.05504	2.5
55.94608	0.2
56.05029	1.4
56.96555	4.9
57.03418	1.0
57.04569	0.3
57.46703	0.3
58.06579	0.3
59.04972	0.4
59.06099	0.9
61.02908	0.5
61.78875	0.2
65.03605	0.2
65.03938	3.5
65.92619	0.3
66.28193	0.2
66.92727	0.6
67.01849	1.1
67.05498	7.0
67.92500	1.3
68.05009	1.7
68.99786	3.5
69.03425	2.0
69.07052	1.1
70.06576	1.1
70.35628	0.3
71.01344	0.6
71.04967	1.2
71.07365	0.4
71.31935	0.6
72.08132	0.7
72.93778	0.6
73.02890	0.6
73.06561	1.8
77.03886	0.2
78.04689	0.7
79.05481	2.7
79.05903	0.4
80.05003	0.5
80.94924	0.5
81.03421	2.3
81.04521	0.5
81.07069	1.3
81.95052	1.1
82.06573	1.6
82.94837	2.4
83.04975	2.8
83.06075	1.3
83.08607	0.5
84.01581	0.3
84.04477	0.6
84.08125	0.8
84.96015	0.4
85.02903	1.6
85.06525	0.3
85.07663	0.5
85.93530	0.4
86.06049	0.3
87.04449	0.8
88.96911	0.3
90.94808	0.3
91.05500	1.4
92.04970	0.3
93.03404	5.2
93.07034	2.6
94.03755	0.2
94.06551	1.0
95.04963	4.3
95.06037	0.8
95.08611	0.7
96.04466	0.5
96.05640	0.2
96.06863	0.3
97.02883	3.0
97.06521	1.4
97.07645	0.9
98.06042	1.0
98.21203	0.3
98.97563	1.6
99.04465	1.6
99.05544	0.3
99.09194	0.4
99.96097	0.3
100.95861	0.8
101.56196	0.2
102.94870	0.7
103.00597	0.6
103.05479	0.6
105.07031	0.6
106.06588	0.3
107.04972	1.5
107.06063	0.9
107.08575	2.6
108.04482	0.5
109.02879	2.1
109.06483	0.8
109.07632	4.2
110.01242	0.5
110.03088	0.3
110.06017	0.5
110.07142	0.7
110.08434	1.6
111.04438	4.7
111.08061	0.6
111.09206	2.5
112.07623	0.4
115.03910	1.1
116.98607	1.7
119.01859	0.8
121.01653	5.1
121.02901	1.7
121.06487	2.2
121.07602	0.8
121.08383	1.2
121.09332	0.2
121.10099	1.4
122.05997	0.9
122.07146	1.3
122.97715	0.9
123.04446	1.5
123.05347	0.3
123.08056	0.7
123.09171	0.9
123.97414	1.7
124.05164	0.9
124.07742	0.4
124.08703	1.1
125.02335	0.3
125.05983	0.8
125.07104	0.5
125.08188	0.5
125.09592	0.5
125.93941	0.5
125.96420	0.3
126.05495	1.5
126.06509	0.3
126.10316	0.4
126.93764	0.9
127.03896	0.9
128.02261	0.7
128.98613	0.6
131.01906	0.6
131.08583	0.5
134.99666	1.7
135.04445	0.5
139.03883	100.0
140.03252	0.4
140.04222	2.6
140.07027	0.5
140.11781	0.5
143.95026	0.5
143.97554	0.5
144.03200	3.0
144.94843	0.5
144.95836	1.0
146.99638	0.6
147.03252	1.0
147.04326	0.3
149.01294	0.3
149.02315	1.3
149.05940	0.8
149.07031	0.4
149.09586	1.0
149.13222	0.5
150.05481	1.4
150.06558	0.5
150.10237	3.6
151.03911	0.3
152.04657	0.4
155.04628	1.9
156.03351	0.6
158.99660	0.7
161.01216	0.3
161.96121	0.7
161.97273	0.6
161.98355	0.3
162.04213	1.2
162.95702	1.8
162.97122	1.2
162.99054	0.3
163.02669	0.4
164.05130	1.5
165.04337	2.1
167.03375	4.0
167.05620	0.4
167.06996	6.3
167.08174	0.6
167.09283	0.6
167.10574	1.7
167.11751	0.3
167.12923	1.3
167.14140	0.3
168.06532	2.3
168.11322	1.0
174.04353	1.7
177.00706	1.0
183.05310	0.3
185.97372	0.5
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	Jasmone
Peak:m/z	Relative Intensity
51.02384	1.0
53.03938	5.3
54.03442	1.2
55.01851	2.6
55.05509	9.4
56.05028	2.1
56.96338	1.4
56.96563	18.2
57.03439	6.2
57.07067	7.1
58.06588	1.6
59.04977	3.3
59.06105	1.1
61.26723	1.1
62.96294	1.5
65.03924	5.0
66.04701	1.8
67.05499	46.2
68.05011	3.2
68.05800	1.3
69.03430	13.4
69.04535	1.2
69.07065	13.5
70.06566	3.2
71.04962	3.2
71.11363	1.9
71.11698	1.5
77.03896	1.3
79.01850	1.6
79.05059	1.8
79.05487	25.6
80.05008	2.5
80.05791	1.7
81.03421	5.0
81.04514	1.8
81.07051	48.5
82.06566	3.1
82.07370	1.4
83.04974	6.7
83.06095	3.4
83.08602	4.4
85.06522	2.1
85.07642	1.7
86.09512	1.0
89.63028	1.0
91.05471	45.6
92.05793	4.5
93.07035	15.3
94.04140	3.2
94.07349	4.3
95.04958	73.8
95.08600	38.3
96.05270	3.0
96.08916	1.4
97.06504	2.2
97.07642	2.5
100.02461	1.5
101.00879	6.7
103.05441	4.8
105.03381	4.1
105.04496	1.5
105.07027	27.6
106.07346	2.5
107.02558	1.9
107.04939	7.9
107.06079	3.0
107.08585	61.2
107.52744	2.4
108.05698	2.2
108.08931	3.7
109.06506	37.1
109.07632	1.9
109.08414	1.8
109.10127	9.6
110.07242	3.8
111.09160	1.9
115.00639	1.1
116.03068	2.5
116.53242	2.2
117.07021	6.4
118.03482	1.2
119.01913	56.2
119.04938	22.0
119.05809	2.2
119.08573	52.0
120.02023	4.7
120.05634	1.5
120.08078	5.8
120.08909	2.6
121.06493	5.8
121.07599	3.1
121.10133	15.1
121.30840	1.2
121.53342	1.0
121.54224	1.5
122.03636	2.4
122.07156	3.7
122.10468	1.1
123.04398	4.4
123.08062	53.2
123.10802	2.2
123.11694	34.9
124.08703	6.6
124.54740	1.1
125.07179	1.1
125.09473	2.0
129.06973	3.0
129.54008	1.9
130.04605	1.2
130.06500	3.9
132.05731	5.8
133.01785	2.6
133.02837	6.8
133.06454	3.2
135.25998	1.1
136.07555	8.0
136.08612	1.8
137.02962	27.7
137.06029	9.2
137.06958	2.1
137.07919	38.7
137.09531	10.0
137.13232	7.5
137.98344	1.8
138.03044	2.5
141.05640	1.3
141.55807	3.8
142.03484	35.5
142.96655	4.8
143.03545	5.0
147.04404	31.3
147.08031	24.0
147.11678	11.6
148.04773	1.3
148.07552	1.5
148.08673	5.7
150.10011	2.2
150.56332	5.6
151.03879	1.5
151.06543	1.0
159.56766	1.5
160.04558	17.6
161.04778	2.0
165.05482	27.8
165.07451	8.2
165.09082	14.3
165.11421	6.5
165.12732	100.0
166.04938	3.6
166.08488	5.8
166.13092	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02381	0.8
53.03942	4.8
55.05500	5.4
56.96559	10.3
57.03417	1.6
57.07069	4.4
59.04982	2.1
65.03920	2.0
67.05495	20.3
68.04990	0.7
69.03420	26.9
69.04530	0.6
69.07057	10.2
69.42675	1.3
69.43085	5.3
70.06612	0.5
70.59505	0.6
71.04977	0.9
72.60776	0.6
79.01854	1.5
79.05479	8.5
79.14899	0.6
81.03405	22.4
81.06567	1.3
81.07042	23.5
82.06591	0.8
82.07356	0.8
83.04971	6.2
83.06084	1.3
83.08591	1.3
85.06520	1.3
91.05468	11.2
91.82651	0.5
93.07022	6.7
95.04361	0.9
95.04955	18.2
95.08596	21.3
96.08938	0.7
97.06509	1.1
97.99139	0.7
98.21440	1.4
100.02422	1.0
101.00861	4.8
101.02538	1.2
103.05444	1.0
104.55310	0.7
105.07018	13.8
107.04930	1.3
107.06059	1.2
107.08583	9.1
109.05780	1.1
109.06500	17.5
109.10136	11.2
110.07249	2.1
115.96409	1.0
116.97223	0.6
117.07025	1.3
117.33900	0.7
118.03457	1.0
119.01908	58.3
119.04927	7.2
119.08569	15.2
120.01986	3.8
120.03194	1.1
120.08069	1.9
120.08842	0.7
121.06495	1.5
121.10133	9.8
122.07240	6.9
123.04397	1.2
123.08058	23.6
123.11690	13.0
124.02417	1.0
124.08645	2.2
125.02392	1.4
128.97888	1.7
133.02838	1.4
135.08026	0.7
135.11655	1.0
136.08769	0.8
137.02942	28.0
137.05965	3.4
137.09604	17.8
137.13206	3.4
137.98323	1.7
138.03035	2.5
138.05391	0.8
138.09996	1.3
140.48569	1.4
142.03481	33.1
142.96661	3.2
143.03535	3.9
147.04382	11.2
147.08067	1.5
147.11682	7.8
148.04947	0.9
148.08641	1.7
149.15973	0.6
149.49139	1.1
150.10336	0.7
151.03928	0.7
160.04533	13.8
161.04662	1.0
165.01759	0.8
165.05481	3.0
165.07678	2.5
165.09082	27.4
165.12726	100.0
166.04973	4.0
166.08505	1.0
166.09576	0.7
166.13106	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03929	2.7
55.01856	2.2
55.05505	8.2
56.05021	2.3
56.96545	1.3
57.03433	5.6
57.07076	5.1
58.06583	2.4
59.04995	5.3
59.06121	1.1
65.03919	4.9
67.05499	42.4
68.05035	4.6
68.05340	0.8
68.05814	1.7
69.03423	13.6
69.04533	1.1
69.06720	1.1
69.07064	13.5
69.94520	5.2
70.06573	3.4
71.04958	1.3
77.64584	0.8
79.05051	1.2
79.05489	15.6
80.05000	2.4
81.03394	3.5
81.04501	2.8
81.07053	36.0
82.06560	2.6
83.04956	3.5
83.06104	5.9
83.08593	3.4
83.92973	1.0
85.07647	2.1
85.62524	0.9
91.05476	42.0
92.05780	1.7
93.07033	12.2
95.04962	65.0
95.05948	1.8
95.08600	40.0
96.05280	1.6
96.08923	1.9
97.06489	1.4
97.07640	2.6
97.52919	0.9
98.07184	2.5
101.00854	3.3
101.44073	1.0
103.05492	2.6
105.07024	23.9
107.04952	6.6
107.06059	4.2
107.08587	48.5
108.05721	2.4
108.08894	2.8
109.06517	36.2
109.07635	4.1
109.10155	6.2
110.07253	3.3
111.09159	1.6
115.05418	1.0
117.06993	4.2
119.01913	35.9
119.04932	38.8
119.08570	50.3
120.02004	2.9
120.05285	1.5
120.08096	3.4
120.08910	3.0
121.06495	2.1
121.07585	1.3
121.09322	1.1
121.10136	14.0
122.07188	7.3
123.04424	3.0
123.08062	63.2
123.11700	31.5
124.02402	1.2
124.08735	6.7
124.12028	1.1
125.09500	2.6
129.06982	2.5
132.05692	5.6
133.02818	1.1
133.06454	1.0
136.08788	2.8
137.02969	16.1
137.05951	6.2
137.09619	12.1
137.12323	1.6
137.13243	7.1
138.03046	1.7
138.06534	1.0
138.10191	2.2
141.09081	1.2
142.03485	22.4
142.96672	2.6
143.03596	3.4
147.04402	73.4
147.08040	23.0
147.11691	10.1
148.04752	3.8
148.07576	1.3
148.08679	8.4
160.04532	9.0
161.04781	1.1
165.01814	1.1
165.05484	5.6
165.07787	1.4
165.09096	20.1
165.11423	7.4
165.12730	100.0
165.40942	0.9
166.04993	2.2
166.09763	2.3
166.13060	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	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
52.29076	0.6
52.54253	0.7
53.03937	5.9
55.01847	1.9
55.05503	3.8
56.05032	1.0
56.96541	2.7
57.03411	2.5
57.07063	3.9
57.88162	0.6
57.90509	0.6
59.04978	2.1
65.03941	2.0
67.05492	13.9
68.05003	2.0
69.03422	24.9
69.07066	9.1
69.08049	0.7
69.33568	4.4
69.33984	1.5
70.06579	2.7
71.04984	1.9
77.03899	0.8
79.01835	0.8
79.05482	8.6
80.04997	2.4
81.03410	21.9
81.04528	1.2
81.06573	1.5
81.07045	22.7
82.06559	0.9
83.04972	5.1
83.06091	2.1
85.06498	0.7
85.07660	1.3
91.04956	1.1
91.05470	11.7
92.05769	1.0
93.07027	7.2
93.18723	0.6
95.04955	15.1
95.06087	0.9
95.08589	19.5
96.08942	0.7
97.06512	1.3
97.07662	1.4
100.02452	0.8
101.00865	4.4
101.02563	0.8
103.05433	1.6
105.03387	0.7
105.07014	12.7
105.62453	0.6
107.04929	1.1
107.06065	2.1
107.08576	11.2
108.05654	1.1
108.08895	0.8
109.05780	1.2
109.06509	21.4
109.07293	1.0
109.07631	1.6
109.10139	4.7
110.07244	3.0
111.09205	1.6
117.06970	1.1
118.03554	0.9
119.01904	39.1
119.04916	8.3
119.08569	15.4
120.01987	3.3
120.03200	0.7
120.05498	1.5
120.08100	2.0
121.06483	1.4
121.07584	1.4
121.10137	7.2
122.07182	3.9
123.04401	1.4
123.08052	24.5
123.08942	1.5
123.11692	11.5
124.02438	0.8
124.08622	2.9
124.12078	0.8
125.09449	1.3
133.02847	1.8
133.06433	1.8
135.08022	1.1
135.11694	0.8
137.02950	20.9
137.05969	3.0
137.07874	2.6
137.09590	7.6
137.13213	3.3
137.98347	1.7
138.03049	1.2
138.05417	0.8
138.10132	1.1
142.03482	24.9
142.04610	1.5
142.96686	3.6
142.97676	0.7
143.03462	3.2
147.04385	11.9
147.08032	1.8
147.11661	7.2
148.08653	3.4
149.49149	1.1
160.04550	10.8
165.01793	1.4
165.05453	4.0
165.07640	2.5
165.09085	6.3
165.11497	4.0
165.12726	100.0
166.04926	3.4
166.08565	1.9
166.13062	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.55229	0.3
53.03945	0.6
55.01868	0.6
55.05499	1.8
55.09663	0.3
56.05024	0.5
56.96564	1.5
57.44357	0.3
64.77711	0.3
65.03947	1.2
65.50186	0.3
67.05495	13.6
68.05819	0.4
69.03421	1.2
69.07053	0.9
69.98190	1.5
70.06587	1.3
77.03926	0.4
79.05484	4.4
80.05029	0.5
81.03413	0.7
81.04542	0.5
81.07047	6.0
82.06575	0.4
83.04965	2.8
83.06102	0.9
91.05468	17.0
92.05828	0.4
93.07027	3.6
95.04961	4.2
95.06110	0.5
95.08597	4.3
96.05608	0.4
97.07638	0.6
100.02515	0.4
101.00868	1.5
103.05462	2.1
104.06236	1.8
105.07021	3.5
106.07397	0.3
107.04954	2.7
107.06069	1.2
107.08576	2.4
109.06487	2.3
109.07613	0.6
109.10142	12.8
110.07177	0.4
111.09199	0.6
115.05421	0.8
117.06994	3.2
118.03478	0.5
119.01905	18.5
119.04943	3.5
119.08562	16.9
120.02045	0.9
120.08118	0.7
120.08894	0.6
121.06478	1.5
121.07619	0.3
121.10136	0.9
122.03594	0.4
122.07256	10.9
123.04431	1.0
123.08075	1.9
123.11663	0.5
124.02377	0.5
124.08711	1.3
125.05376	0.7
125.09467	0.8
127.55685	0.7
128.97826	0.6
129.06935	0.3
133.02855	0.6
133.06448	0.7
135.08063	0.4
136.56197	1.0
137.02951	8.9
137.05969	2.1
137.09596	41.8
137.98381	0.7
138.03027	0.6
138.05502	0.4
138.09938	2.2
142.03477	11.3
142.96663	1.0
143.03568	0.9
147.03305	0.3
147.04390	5.8
147.08029	4.1
147.11656	1.5
148.04845	0.4
148.07555	0.3
148.08633	1.7
150.06737	0.4
160.04507	4.4
165.05490	2.0
165.09090	100.0
165.12656	2.9
166.05016	0.8
166.09570	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	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03936	0.6
55.01879	0.6
55.05516	1.5
56.96555	1.4
57.03428	0.5
65.03940	0.5
67.05502	10.7
68.56898	0.4
69.03431	0.9
69.07060	0.5
69.81484	1.7
69.81895	0.6
73.69456	0.3
75.71253	0.4
77.21230	0.3
78.04715	0.3
79.05499	2.0
80.53750	0.4
81.03439	0.3
81.07047	3.7
82.40891	0.4
82.99846	0.7
83.04979	1.8
83.93029	0.7
91.05475	14.4
93.07047	1.9
95.04950	2.9
95.08585	1.8
97.31505	0.4
98.21442	0.8
100.02467	1.0
101.00867	6.8
101.02518	2.2
102.02244	0.9
103.05468	2.0
104.06239	1.8
105.07019	1.0
107.04948	1.5
107.08578	0.9
109.06517	1.9
109.10155	9.7
112.41203	0.4
112.42004	0.4
115.05439	0.9
116.97186	0.7
117.07013	2.9
118.03529	1.0
119.01915	58.3
119.03671	1.3
119.04930	1.4
119.08575	13.2
119.09448	0.5
119.95139	0.4
120.02022	3.1
120.03207	0.5
120.08899	0.6
121.06528	0.9
122.07277	8.9
123.08087	0.8
124.02465	1.8
128.97865	0.8
135.08067	0.5
137.02946	32.5
137.05952	1.0
137.09605	34.5
137.98361	1.4
138.03052	1.8
138.05492	0.5
138.09943	1.0
140.48698	0.5
141.53380	0.4
142.03491	39.7
142.96695	3.7
143.03659	2.5
147.04420	3.5
147.08035	2.7
149.49126	0.8
160.04550	17.0
161.04752	1.3
165.05322	4.3
165.09102	100.0
165.12749	2.0
166.05057	0.8
166.09543	4.0
183.06186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03952	0.6
55.01864	8.0
56.05023	0.4
56.87368	0.3
56.96566	0.3
58.06572	0.4
58.25006	0.3
59.06104	0.3
65.03931	2.2
67.05496	1.3
68.05009	1.2
69.03419	0.8
70.06570	0.9
70.84872	1.0
79.05484	1.0
80.05007	0.8
81.03414	0.5
81.04549	0.7
81.07051	1.5
82.05331	0.4
82.06570	0.8
83.06104	1.7
85.02903	0.4
85.07642	0.6
91.05469	45.6
91.65981	0.3
92.05820	0.7
93.07027	1.0
94.06550	0.4
95.04960	2.9
95.06075	0.6
95.08575	0.6
97.07657	0.8
98.07157	0.4
101.00871	1.4
103.05461	1.2
105.07040	1.3
107.04900	0.4
107.06066	1.1
107.08604	0.5
109.06525	1.1
109.07600	0.7
109.10117	0.7
110.07151	0.8
111.09192	0.4
112.45713	0.3
119.01919	9.2
119.04927	57.0
119.08566	2.0
120.01943	0.5
120.05303	1.3
120.08073	0.6
121.06490	0.4
121.07613	0.7
122.07152	1.1
123.04436	3.2
123.08013	1.3
124.02448	0.5
124.08724	1.5
125.09474	0.6
133.02841	1.4
136.05186	0.5
136.07516	0.3
137.02994	4.2
137.05948	2.5
137.09575	1.1
138.06593	0.6
138.10233	0.5
142.03481	5.4
142.96666	0.6
143.03625	0.4
147.04390	100.0
147.08049	1.4
148.04729	2.9
148.08684	1.3
158.85117	0.3
160.04558	2.3
165.01814	0.4
165.05476	5.1
165.07709	0.7
165.09009	2.2
165.11333	2.4
165.12735	0.9
166.04941	0.4
166.08601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
55.00581	0.2
55.01868	0.2
56.05021	0.2
65.03919	1.5
65.77222	0.1
66.37939	0.1
67.05508	0.3
68.05019	0.5
68.99801	0.1
69.03407	0.3
69.07055	0.3
69.39328	0.1
70.06583	0.4
70.83725	0.4
72.24464	0.1
73.01943	0.1
80.05003	0.3
81.03416	0.2
81.04557	0.3
81.07047	0.3
82.06568	0.4
83.06099	0.7
85.07667	0.3
91.05469	26.6
92.05805	0.6
93.07063	0.3
95.04962	1.7
95.06098	0.1
95.08638	0.2
97.07666	0.3
97.98006	0.1
98.12489	0.1
98.97562	0.5
101.00862	0.4
103.05457	0.3
105.07009	0.2
107.06088	0.4
108.05563	0.1
109.06481	0.2
109.07631	0.4
111.09214	0.3
116.98644	0.5
119.01928	3.4
119.04926	53.5
119.08576	0.6
120.05230	1.2
121.07619	0.3
122.07137	0.3
123.04421	2.0
123.08035	0.3
123.08974	0.1
124.08727	0.4
125.09486	0.4
134.99628	0.2
137.02930	1.3
137.05981	0.4
137.09583	0.3
138.10274	0.2
142.03471	1.8
142.96666	0.2
147.04388	100.0
148.04741	2.9
148.08659	0.4
160.04546	0.9
165.05452	1.4
165.09097	0.3
165.11351	0.9
165.12595	0.2
166.08582	0.2
177.00699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66582	0.2
54.43453	0.2
57.02436	0.2
59.26485	0.2
59.92855	0.2
69.71856	0.8
69.72269	0.4
81.24309	0.2
82.01463	0.3
82.99814	1.0
83.49397	0.2
98.20712	0.3
100.02473	0.9
100.16411	0.2
101.00865	16.6
102.00906	0.5
103.29229	0.2
118.03510	0.6
119.01904	100.0
120.01975	3.8
121.02340	0.4
121.35995	0.2
124.02418	2.9
137.02939	37.8
138.03021	1.6
139.03365	0.2
142.03481	49.7
143.03577	2.4
160.04533	18.5
161.04764	0.6
165.05060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.64227	0.2
55.01854	0.3
56.05021	0.7
56.96557	0.8
58.06599	0.3
61.79202	0.2
65.03933	2.3
67.05491	0.8
67.12112	0.3
68.05015	0.8
69.03426	0.4
69.07066	3.3
69.43800	1.6
69.44208	0.4
70.06577	0.8
74.10964	0.2
79.05476	0.5
80.05012	0.5
81.04527	0.6
81.05811	0.3
81.07029	0.5
82.06565	0.6
83.06091	1.7
85.07664	0.3
86.08420	0.2
91.05470	28.8
92.05796	0.6
93.07040	0.6
95.04960	3.0
95.06080	0.8
95.08598	0.4
97.07622	0.8
98.07171	0.5
98.20793	0.5
98.97566	4.5
101.00874	0.7
105.07037	0.5
107.04943	0.3
107.06078	1.0
107.08523	0.3
109.06500	0.4
109.07632	0.8
109.10137	0.5
110.07154	0.5
111.09182	0.4
116.98611	3.8
119.01920	7.7
119.04927	57.5
119.08543	1.1
120.02006	0.3
120.05202	1.1
120.08061	0.3
121.07590	0.6
122.07142	0.9
123.04424	3.4
123.08051	0.4
123.09119	0.3
124.08694	1.4
125.09469	0.9
133.02849	0.3
134.99654	1.8
137.02942	3.6
137.05971	0.6
137.09563	0.5
138.03073	0.3
138.10249	0.5
142.03476	4.4
142.96722	0.5
147.04391	100.0
148.04733	2.7
148.08650	1.3
153.00697	0.3
158.99641	1.4
160.04544	2.0
165.01782	0.5
165.05478	1.9
165.07666	0.4
165.09094	1.0
165.11368	2.2
165.12663	0.4
166.04962	0.3
177.00688	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	164.0702
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02385	0.3
51.40157	0.2
53.03933	2.4
54.04308	0.2
55.01871	0.4
55.05509	1.0
56.96558	13.6
57.03462	0.4
57.07089	0.4
59.04987	0.4
61.41254	0.2
65.03931	1.6
66.04720	0.5
67.05498	2.8
69.03431	1.6
69.07072	0.8
70.02955	0.3
71.58375	0.3
74.97597	0.3
76.41685	0.2
77.03937	1.1
78.04713	0.4
79.05480	4.2
80.05021	0.9
80.05821	0.4
81.03423	0.8
81.07050	3.8
82.06583	0.3
83.04984	0.5
83.06099	0.3
91.05470	12.8
92.05796	0.7
93.05775	1.9
93.07031	7.7
94.04179	0.6
94.06577	0.6
94.07341	1.6
95.04958	10.0
95.08585	2.1
96.05287	0.3
98.02093	0.4
100.01877	0.5
100.02467	1.6
101.00853	0.5
101.02573	0.5
103.05462	0.4
104.05797	0.7
105.03389	0.9
105.04523	1.5
105.07017	3.9
106.07342	0.7
107.02563	3.0
107.04948	0.8
107.08584	4.7
107.52751	0.3
108.04463	0.6
108.05208	0.4
108.08110	4.3
108.08914	2.7
109.06507	3.1
109.07623	0.3
109.10147	0.5
110.03108	0.4
114.03368	0.4
115.00690	1.4
115.04137	0.4
116.03081	4.4
116.53296	0.4
117.07008	0.4
118.03548	1.3
118.06516	0.8
118.07313	0.3
119.01215	0.2
119.01912	5.1
119.04937	2.0
119.08561	3.7
120.05115	0.5
120.08835	0.3
121.04111	1.0
121.06496	2.2
121.10149	1.9
122.02982	0.4
122.03716	0.3
122.06020	0.7
122.07152	0.3
122.09676	0.4
122.10477	0.8
123.03796	0.5
123.04562	0.3
123.08062	3.0
123.11697	1.3
124.04640	0.8
126.05499	3.5
127.04101	0.8
128.04877	0.6
129.03857	1.1
129.05646	1.1
130.04620	2.3
130.06480	0.5
131.03601	0.3
131.08536	0.2
132.05072	1.4
133.01717	1.8
133.02840	1.4
133.06470	0.5
133.10120	0.3
135.11668	0.3
136.07559	100.0
136.11996	2.3
137.02960	3.1
137.06047	1.6
137.07922	3.4
137.09581	0.7
137.13228	0.3
140.07054	3.5
140.56406	0.3
141.05647	4.8
141.55832	0.3
142.03476	3.6
142.55003	0.4
146.05988	0.9
146.10458	0.8
147.04379	3.5
147.08022	1.5
147.11671	0.8
147.94009	0.2
148.08586	0.3
149.09601	2.8
150.06184	6.7
150.09949	0.4
150.56351	1.0
151.02721	0.5
152.56442	0.6
159.03264	0.6
159.06686	0.9
160.04523	1.5
161.56969	0.6
164.04298	0.9
164.07036	18.7
164.11615	1.3
165.01778	0.4
165.05452	7.7
165.07521	0.8
165.09085	1.0
165.11411	0.6
165.12726	5.0
177.04340	0.3
183.03239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03942	2.3
55.01866	0.9
55.05506	15.1
56.96563	1.2
57.07055	3.0
58.84128	0.6
59.58521	0.6
60.90668	0.6
65.03921	1.8
67.05500	3.2
67.61736	0.6
69.03423	12.0
69.07059	30.1
71.04180	0.6
71.04530	1.3
72.93774	1.0
79.01835	1.4
79.05482	14.5
80.05826	0.8
81.04577	0.7
81.07045	6.5
83.04984	0.6
83.08613	15.1
91.05464	16.5
91.05997	1.2
93.07028	29.0
94.07382	1.0
95.04973	4.3
95.06054	0.7
95.08597	6.8
100.02458	2.9
103.05462	5.3
105.04489	1.2
105.07014	23.8
107.04948	3.8
107.08581	81.3
108.05659	1.2
108.08873	1.8
108.09467	1.2
109.06509	5.7
109.10143	2.5
113.96403	1.2
115.05420	0.7
117.06997	2.5
118.03534	2.0
119.04906	0.7
119.06053	0.9
119.08567	8.8
120.09320	1.0
121.06490	30.8
121.10126	100.0
122.06949	0.6
122.10368	3.1
123.08034	7.5
128.95099	0.7
129.06987	0.8
130.07758	1.7
131.04912	3.7
131.97400	1.4
133.02827	1.4
133.06480	1.8
133.07555	1.3
133.10110	1.2
134.10960	0.7
135.04398	2.4
135.08038	5.4
135.11678	23.5
135.12706	1.3
136.08694	0.7
136.12033	1.2
145.10123	4.2
148.08774	0.7
163.03912	9.3
163.07521	3.3
163.09891	1.2
163.11159	24.9
163.14798	29.2
164.03267	0.7
164.06973	1.0
164.11542	1.2
164.15132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03925	2.8
55.01863	1.2
55.05502	12.3
56.49594	0.5
56.96563	2.7
57.03428	0.6
57.07068	4.6
65.03931	1.0
67.05500	4.3
69.03418	1.4
69.07058	36.2
70.07394	1.1
71.08614	0.6
71.38673	1.3
72.93781	1.6
73.13695	0.5
73.35061	0.6
77.03923	1.0
79.05484	20.6
80.05003	0.7
80.93108	0.6
81.04514	1.0
81.07050	9.1
82.01486	0.7
83.08605	13.1
85.02894	0.8
88.96867	0.5
89.03899	1.6
90.94833	0.6
91.05470	16.1
93.07030	36.2
94.07350	1.2
95.04964	5.5
95.06077	1.1
95.08599	9.5
100.02462	8.3
100.63100	0.5
103.05461	8.3
105.03357	1.2
105.04504	1.5
105.07016	25.1
107.04929	5.2
107.08577	99.0
108.08197	1.0
108.08881	3.0
108.09433	2.0
109.06504	3.8
109.10161	2.9
113.96409	1.0
115.05443	0.8
117.03366	1.1
117.06986	2.2
118.03498	8.2
119.01796	1.1
119.04942	0.7
119.06039	2.1
119.08556	12.3
120.05515	0.8
120.09353	0.8
121.06482	3.3
121.10125	100.0
122.07124	1.5
122.09640	1.8
122.10483	3.9
123.08032	4.8
128.02309	0.9
130.07765	1.2
131.04900	8.7
131.97447	1.2
133.02805	3.1
133.07585	1.3
133.10123	1.6
134.10918	1.0
135.04385	6.8
135.08052	1.9
135.11673	34.9
136.07568	1.0
136.08612	1.0
136.11966	1.3
145.02792	1.3
145.03932	0.7
145.06548	0.9
145.10075	4.4
148.12421	1.0
163.03882	19.2
163.05199	1.3
163.07545	5.6
163.09769	2.8
163.11162	9.8
163.14796	30.7
164.03279	1.0
164.04456	0.7
164.06956	2.7
164.15149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02359	1.4
53.03944	9.0
55.01868	1.3
55.05296	0.6
55.05506	7.6
56.96556	1.0
57.07056	1.5
63.02350	0.6
65.03922	1.1
67.05499	23.0
69.03419	0.7
69.07060	9.1
71.48923	1.2
72.93783	4.2
77.03909	2.6
78.24088	0.7
79.05485	54.2
80.05825	1.0
80.93069	1.1
81.03402	0.9
81.07050	35.2
82.01381	0.7
82.07394	1.1
83.08598	5.0
85.02902	0.7
91.05475	12.1
92.02586	3.5
93.07034	49.0
94.07368	0.9
95.04954	22.8
95.08596	33.6
96.05327	0.9
97.10167	0.7
100.02479	11.9
103.05433	1.7
105.03371	4.9
105.04468	3.2
105.07014	5.8
107.04945	6.4
107.08586	41.7
108.08902	1.2
108.95833	0.7
109.06487	1.7
109.10143	2.6
111.88776	0.7
113.96403	3.6
116.22829	0.8
117.07014	2.3
118.03510	10.1
119.04922	1.9
119.08575	3.6
120.02055	0.8
120.08027	0.8
121.06518	1.6
121.10130	55.2
122.09644	1.0
122.10457	1.5
123.04034	1.1
123.08051	1.1
131.04915	2.2
131.97427	3.9
132.08116	1.4
133.02844	27.1
134.03166	1.3
135.04405	31.3
135.08054	1.4
135.11668	7.4
136.04739	1.3
138.03125	1.8
140.99419	0.7
141.05081	1.3
145.03943	1.3
145.06499	1.1
145.10089	3.1
163.03886	100.0
163.07533	2.2
163.11137	8.7
163.14809	35.6
164.04303	7.5
164.07022	2.3
164.10680	0.9
164.15208	1.2
184.99133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03939	2.4
55.01866	1.2
55.05503	10.5
56.67187	0.6
56.96555	0.9
57.07070	4.9
63.02376	0.6
65.03936	1.5
67.05481	2.8
68.05011	0.6
69.03423	1.3
69.07060	26.9
71.04993	0.7
71.20738	1.1
72.93768	0.6
74.27008	0.5
77.03898	0.8
78.04688	0.5
79.05485	17.7
81.04530	1.0
81.07050	6.0
83.06083	0.6
83.08607	12.9
85.02885	1.0
89.03900	5.9
91.05467	16.4
93.07032	32.8
94.07343	1.0
95.04958	7.0
95.06070	1.6
95.08595	7.3
96.06837	0.6
98.97591	0.6
100.02459	3.5
102.96823	0.5
103.05454	34.3
104.05779	1.4
105.03395	1.2
105.04508	1.4
105.07017	26.9
106.07279	0.6
107.04208	0.5
107.04946	12.6
107.06062	1.1
107.08581	82.7
108.08156	1.1
108.08799	1.2
108.09377	2.1
109.06531	3.5
109.07631	0.8
109.10117	2.2
115.05408	1.2
117.03382	2.3
117.07006	2.9
118.03498	2.6
119.01717	0.6
119.04914	1.5
119.06042	1.4
119.08562	9.7
120.05666	1.3
120.97872	0.9
121.06540	2.9
121.10126	100.0
122.07187	2.6
122.09669	1.1
122.10466	3.6
123.08022	4.7
130.06488	1.0
130.07762	1.3
131.04913	36.6
132.05229	2.4
132.08073	0.8
133.02786	2.8
133.07597	1.2
133.10085	1.4
134.10907	1.0
135.04413	9.0
135.08058	4.2
135.11679	22.3
136.04611	0.7
136.07539	2.1
136.08655	1.8
136.12013	0.6
139.86147	0.6
145.02820	2.3
145.03818	0.6
145.06451	1.8
145.10104	4.5
146.07109	1.1
147.08012	0.7
148.08714	0.5
163.03885	23.3
163.05034	1.0
163.07526	14.1
163.09731	4.5
163.11142	12.7
163.14795	28.3
164.04309	1.8
164.06979	1.6
164.08170	0.9
164.15132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
53.00281	0.6
53.03933	3.1
54.03465	0.7
55.01861	0.8
55.05506	13.0
56.96562	1.4
57.07066	5.5
62.29343	0.6
65.03934	1.8
67.05491	4.0
68.05031	1.1
69.03413	2.9
69.07057	32.9
77.03917	1.1
77.23537	0.6
78.04692	0.7
79.05054	1.3
79.05482	18.2
80.05032	0.7
80.05822	0.9
81.03423	1.1
81.04523	1.6
81.07034	5.8
83.08604	13.6
89.03901	7.9
91.05466	19.7
91.06007	1.4
92.06281	0.7
93.07030	36.5
95.04945	5.4
95.06064	1.8
95.08595	5.6
97.07661	0.9
98.21524	1.3
99.51962	0.9
100.02467	3.6
103.05453	18.7
104.05788	1.1
105.04484	1.8
105.07014	24.2
106.07861	0.9
107.04942	11.2
107.08575	90.4
108.05656	0.9
108.09460	4.1
109.06489	3.4
109.07625	1.4
109.10168	3.5
113.30882	0.7
115.05407	1.6
117.03371	4.1
117.07014	4.0
118.03518	4.0
119.04982	0.9
119.06025	1.6
119.08548	10.6
120.05645	1.1
120.09325	0.8
120.97915	0.6
121.06503	5.2
121.10124	100.0
122.07190	3.5
122.10411	3.4
123.08031	4.3
128.02296	0.9
129.06903	0.9
130.07758	1.6
131.04906	18.5
132.05286	0.7
133.02853	3.6
133.06509	0.9
133.07593	1.2
133.10100	2.3
134.10904	1.3
135.04396	10.6
135.08011	2.5
135.10678	1.2
135.11673	22.1
136.07545	6.9
136.08664	1.7
136.11998	0.9
137.09563	0.9
143.08530	0.9
145.02806	3.8
145.03784	0.9
145.06519	1.8
145.10104	8.6
146.07152	0.8
146.10497	0.8
147.08125	0.8
148.08861	0.8
151.20898	0.8
153.97893	0.7
163.03876	25.9
163.05196	1.8
163.07523	8.2
163.09756	5.8
163.11143	23.8
163.12521	1.4
163.14789	29.0
164.04428	1.3
164.07005	2.7
164.15204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02394	0.8
53.03949	4.8
55.01872	2.1
55.05511	24.1
56.96568	4.9
57.03461	0.8
57.07083	1.7
57.09173	0.5
58.99264	0.5
59.04994	0.5
65.03943	2.3
67.05508	3.6
67.43166	0.5
69.03427	41.4
69.07066	14.4
69.64344	4.3
70.03768	0.8
72.93780	1.7
77.03925	1.4
79.01871	4.0
79.05489	17.9
80.93123	0.8
81.03483	0.7
81.07060	7.2
83.04983	2.1
83.08618	7.8
89.03933	1.4
90.94803	0.7
91.05477	25.3
92.02659	0.7
93.03412	1.6
93.07043	26.0
95.04974	12.9
95.06031	0.8
95.08599	7.3
96.06918	0.7
97.07646	0.8
98.97550	0.8
100.02461	4.6
103.05466	12.8
105.03409	1.1
105.04509	1.7
105.06297	1.0
105.06418	0.5
105.07024	27.8
107.04955	11.7
107.08593	53.6
108.05721	1.9
108.09442	1.0
109.06520	9.6
109.07627	0.9
109.10135	1.3
113.96402	1.7
115.05477	2.2
116.03104	0.7
117.03387	0.7
117.07031	6.9
118.03525	3.3
119.04951	2.1
119.06062	1.1
119.08582	11.4
120.09380	1.3
120.97927	0.8
121.06503	100.0
121.10137	54.0
121.95726	1.2
122.06947	2.9
122.09671	1.2
122.10461	0.9
123.08064	19.3
129.07007	1.4
130.06570	1.1
130.07785	4.6
131.04919	8.5
131.97437	2.1
132.08098	0.9
133.02814	3.3
133.06485	6.4
133.07603	1.8
133.10106	1.0
134.10806	0.7
135.04420	6.3
135.07095	0.4
135.08049	15.2
135.11688	16.6
136.08669	1.0
137.05376	1.0
137.09494	0.8
141.09241	0.6
145.02837	0.8
145.06485	1.1
145.10110	7.6
147.08035	1.3
148.05177	1.2
148.08841	4.1
163.03909	20.0
163.05214	1.4
163.07567	6.4
163.09863	3.1
163.11168	61.7
163.14822	15.1
164.03311	0.9
164.07053	1.5
164.11618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.9
54.03458	2.5
55.01853	5.1
55.05262	2.6
55.05502	38.8
55.11456	1.7
56.96543	2.9
57.07066	85.7
58.54919	1.6
59.04983	2.9
65.03905	2.1
67.05485	4.7
68.05003	2.5
69.03417	7.9
69.07053	4.0
70.65337	5.2
70.65667	1.6
76.55190	1.6
77.03893	2.2
77.47233	1.8
79.05477	29.9
80.05000	2.4
81.03408	2.9
81.04517	3.7
81.07032	6.4
82.05312	3.0
83.04979	2.2
83.08596	9.7
83.72760	1.7
89.03904	25.3
89.06015	62.2
89.39254	1.5
91.05472	28.4
93.04501	1.7
93.07027	30.2
95.04953	24.5
95.06071	5.7
95.08610	4.1
96.06880	2.3
97.07635	4.1
100.02457	4.7
101.09621	7.8
103.04777	3.8
103.05446	57.1
105.03369	3.2
105.04491	6.5
105.07018	26.9
106.06539	1.9
107.04940	93.3
107.07018	11.2
107.08577	42.8
108.05562	3.9
108.08086	3.3
109.06483	3.9
109.07629	3.4
115.05459	9.0
117.03362	14.1
117.06984	11.6
119.04887	3.8
119.06068	4.1
119.08582	6.5
119.53468	1.6
120.05681	9.4
121.06470	10.3
121.10126	17.2
122.06320	1.8
122.07122	13.3
123.07980	5.5
130.07755	4.9
131.04909	51.5
132.05249	1.9
132.08073	2.2
133.02856	14.3
133.06509	2.3
135.04404	51.4
135.08040	17.2
135.11682	26.9
136.07571	54.4
136.08649	7.9
139.43417	1.8
140.06998	2.3
145.02829	11.3
145.03918	3.6
145.06432	6.5
145.07489	1.9
145.10083	15.7
146.07047	2.8
147.08087	1.8
150.06195	2.5
163.03880	100.0
163.07507	25.7
163.08757	1.6
163.09758	16.9
163.11162	37.4
163.12477	2.2
163.14804	6.1
164.04326	6.3
164.06978	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.89848	0.8
51.02380	1.1
53.03939	3.8
55.01867	5.1
55.05501	6.7
56.96550	1.0
57.07059	1.0
65.03918	1.3
66.41518	0.6
67.05505	5.0
69.03423	20.3
69.07056	2.8
69.93673	2.3
69.94100	2.3
71.04972	2.5
76.98247	0.6
77.03919	1.4
79.05489	23.9
81.03384	1.6
81.04507	1.2
81.07049	17.0
83.04958	2.5
89.03911	6.0
91.05477	24.0
92.02592	1.2
93.07036	67.3
94.07349	1.1
95.04964	13.4
95.06074	2.2
95.08585	2.4
96.06836	1.2
100.02478	2.0
103.05463	45.7
104.05798	1.9
105.04507	2.0
105.07020	29.5
107.04948	20.7
107.06075	1.4
107.08585	51.6
108.05563	0.7
108.08953	1.2
109.06522	4.4
109.07580	1.1
115.05450	3.5
117.03363	3.5
117.06994	10.7
118.03522	2.0
118.07372	0.9
119.04914	1.6
119.06063	0.8
119.07787	1.0
119.08569	12.8
120.05637	1.7
121.05653	1.3
121.06490	13.7
121.09306	1.2
121.10129	15.6
122.07121	2.7
123.07967	2.0
130.06583	0.8
130.06737	0.9
130.07770	6.9
131.04919	48.7
132.05225	1.5
133.02844	3.9
133.06468	1.4
135.04399	12.1
135.08040	10.3
135.11678	17.3
136.07549	1.8
136.08662	2.5
143.08553	1.3
145.02875	4.1
145.03839	0.9
145.06467	2.4
145.08377	2.2
145.10109	35.9
146.07060	1.4
146.10420	0.9
147.08026	0.9
148.08800	2.8
161.09579	0.7
163.03893	26.0
163.07539	18.9
163.09889	4.1
163.11157	100.0
163.14790	1.9
164.07063	2.4
164.11606	3.4
164.73415	0.7
165.53102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03942	3.5
55.01865	10.7
55.05503	8.3
56.96331	0.6
56.96562	6.7
57.03411	1.0
57.12893	0.6
65.03917	2.2
67.05500	4.2
68.05006	1.1
68.77100	0.6
69.03077	0.8
69.03422	10.7
69.07062	4.4
71.04977	3.5
71.59493	0.6
71.59930	0.7
72.93793	0.6
74.09678	0.6
75.34071	0.6
79.05487	28.9
80.05015	0.9
81.03397	2.3
81.04511	0.8
81.07047	14.4
81.43795	0.6
83.04961	2.4
83.08624	0.9
89.03909	3.0
91.05476	21.9
92.02654	1.0
93.07034	56.6
94.07360	1.7
95.04958	11.9
95.06054	1.8
95.08595	3.1
97.06487	0.7
97.07624	0.8
98.97541	0.6
100.02470	4.9
103.04776	1.2
103.05459	19.5
104.05768	0.7
105.03372	2.0
105.04517	1.3
105.07023	38.7
106.06591	0.6
106.07288	0.9
107.04945	11.9
107.08585	65.2
108.05573	1.1
108.08887	1.3
109.06494	4.3
110.01331	0.8
115.05430	2.0
115.52078	0.6
116.03076	3.9
116.98605	0.9
117.03337	2.0
117.07010	10.1
118.03510	3.2
118.07347	1.1
119.04916	2.2
119.06031	0.9
119.08570	18.2
119.50072	0.7
121.06502	10.1
121.10136	20.9
122.07157	3.5
123.03910	0.8
123.07950	1.5
127.07568	0.7
128.02296	1.1
128.06203	0.9
129.06992	1.2
130.04634	0.9
130.07785	7.5
131.04916	19.1
131.99950	0.6
133.02814	3.8
133.06454	2.2
135.04417	7.7
135.05415	1.0
135.08052	7.6
135.10643	1.3
135.11674	15.2
136.07565	1.2
136.08679	2.2
137.05405	1.5
139.07480	0.8
142.04572	1.2
143.08536	2.4
145.02879	0.9
145.06461	1.7
145.08464	7.2
145.10109	41.4
147.07980	1.7
148.05154	1.4
148.08791	2.9
161.09654	0.9
163.03897	24.7
163.05025	0.8
163.07526	11.1
163.09782	6.4
163.11153	100.0
163.14793	3.3
164.04372	1.3
164.07008	1.4
164.11482	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	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38223	0.5
51.02358	0.7
53.03935	4.1
55.01860	4.8
55.05252	0.7
55.05501	8.4
56.73228	0.5
56.96556	1.5
57.03416	1.2
60.09180	0.6
65.03931	1.5
67.05498	5.1
68.05006	1.1
69.03420	19.6
69.07042	2.7
70.71381	1.8
71.04984	3.0
77.03925	1.7
79.05485	26.1
81.03402	1.5
81.04511	1.1
81.07050	19.3
82.05298	1.1
83.04948	2.1
83.06888	0.6
85.02872	0.7
86.21707	0.5
89.03909	5.0
91.05470	22.4
92.05762	0.9
93.07031	67.1
94.07352	1.5
95.04369	0.7
95.04954	11.0
95.06069	1.5
95.08587	2.0
96.06819	0.6
97.06499	0.8
97.07596	1.2
98.21347	0.7
100.02465	1.7
100.11215	0.7
103.05455	49.9
104.05785	1.6
105.03367	0.8
105.04485	2.0
105.07021	30.3
106.07322	1.2
107.04945	17.2
107.06049	1.1
107.08582	51.8
108.05591	0.6
108.08904	1.6
109.06516	3.8
115.05470	2.8
115.52773	0.6
116.98602	0.6
117.03368	3.4
117.07015	11.2
118.03482	1.2
119.04910	1.3
119.05978	0.6
119.08564	11.4
120.05621	1.9
121.06488	13.5
121.09296	1.1
121.10123	13.9
122.07162	3.0
123.07921	1.7
127.07527	0.9
127.26324	0.6
128.06137	0.9
129.06982	1.3
130.07765	7.3
131.04913	53.0
131.42656	0.6
132.05286	1.4
133.02844	3.3
133.06465	1.8
135.04413	9.0
135.05440	1.1
135.08035	9.2
135.11674	18.3
136.07616	1.0
136.08679	2.6
143.08554	1.5
145.02849	3.5
145.03815	0.7
145.06471	1.4
145.10104	37.6
146.07089	1.3
146.10457	0.9
147.08052	1.9
148.08791	5.2
163.03880	22.5
163.07526	21.0
163.09833	5.5
163.11150	100.0
164.04329	1.2
164.06921	3.1
164.08240	0.7
164.11557	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	163.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
54.03465	1.3
55.01857	3.9
55.05487	3.0
56.05028	1.4
56.96572	5.4
57.03435	15.9
57.07085	1.1
58.92874	0.9
59.04985	1.8
61.01141	1.6
61.02927	9.8
63.02365	2.2
65.03923	3.9
67.05482	2.5
68.05013	2.8
68.87798	1.0
69.03427	20.4
69.95114	5.6
71.04996	7.1
71.08628	10.9
71.94072	1.5
73.02895	3.5
75.02718	1.5
77.03909	1.8
79.05488	28.7
80.05006	3.7
80.05847	1.2
81.03397	8.5
81.04524	4.9
81.07052	45.0
82.05300	3.0
83.04981	2.6
83.06086	1.6
85.02899	58.9
85.06519	4.4
89.03913	59.5
90.04238	1.6
91.03930	1.4
91.05478	9.3
92.05003	1.6
93.07020	5.4
94.06535	1.3
95.04964	10.1
95.06063	5.9
95.08608	1.5
96.04530	1.3
96.06843	3.3
97.02884	9.4
97.07633	1.8
98.21454	1.7
99.04433	1.8
99.08088	21.5
101.02427	1.2
103.05458	21.7
104.05831	1.2
105.03378	2.6
105.04507	5.4
105.07021	9.0
106.06577	1.5
107.04948	25.6
107.06073	3.6
107.08588	6.0
108.04465	2.5
108.05569	3.8
108.08092	1.3
109.02864	3.2
109.06511	31.3
109.07661	3.6
115.03848	1.2
115.05463	1.0
117.03372	44.4
117.07009	5.2
117.09121	17.5
119.04932	4.9
119.06033	2.0
119.08601	1.8
120.04497	1.7
120.05587	2.8
120.08111	1.4
121.02839	1.7
121.06509	5.6
121.08347	1.4
121.10128	2.5
122.07130	10.1
123.04478	1.5
123.07935	5.4
127.03903	3.6
127.07538	12.3
130.06517	2.5
131.04924	24.8
132.08081	2.3
133.02841	6.0
135.04410	87.3
135.08040	4.9
135.11668	2.9
136.03856	2.2
136.04761	4.2
136.07568	3.5
136.08676	8.6
145.02843	33.4
145.03928	3.0
145.06415	2.0
145.10123	3.0
146.05986	1.8
146.07097	4.4
147.04457	1.8
147.05548	1.1
153.01776	1.2
163.03893	100.0
163.04971	4.0
163.07541	12.8
163.09779	17.5
163.11171	9.4
163.12280	2.4
164.04279	4.8
164.06935	8.1
164.08205	1.3
181.02808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01585	0.3
51.02382	0.6
53.03934	1.7
54.03449	0.3
55.01875	0.7
55.05502	1.8
56.96568	1.6
57.03432	0.7
57.07076	0.5
60.95853	0.5
65.03928	0.5
67.05489	1.9
69.03428	1.8
69.07065	2.6
71.59982	0.6
72.93781	1.0
73.02904	0.5
77.03931	1.0
79.05487	6.3
80.05015	0.5
80.93092	0.6
81.03418	1.0
81.04532	1.2
81.07052	5.1
82.05291	0.4
83.04977	0.5
83.06131	0.4
83.08612	0.9
88.14101	0.4
89.00437	0.3
89.03914	2.3
90.94832	0.4
91.05470	6.7
92.02609	0.8
92.05779	0.3
93.07031	8.2
95.04965	6.4
95.06050	1.6
95.08598	3.1
96.06876	0.6
97.07650	0.6
98.97578	0.5
100.02482	5.3
103.05462	82.8
104.05782	3.4
105.03396	1.9
105.04512	1.3
105.07025	6.4
106.06524	0.4
107.04945	8.5
107.06084	0.7
107.08583	14.5
108.05604	0.5
109.06512	1.1
109.07690	0.4
110.01287	0.5
115.05461	1.2
116.98582	0.5
117.03343	1.5
117.05701	0.4
117.07030	2.9
118.03515	5.6
118.06593	0.4
119.01781	0.8
119.04924	1.3
119.06013	0.3
119.08586	2.3
120.05638	0.9
120.08111	0.4
121.06503	2.5
121.10133	5.4
121.95701	0.6
122.06104	0.3
122.07150	2.5
122.09655	1.4
123.04039	0.7
123.07959	0.9
129.06979	0.3
130.06526	0.6
130.07744	0.9
131.04918	100.0
131.97452	0.5
132.05214	3.7
132.08095	0.9
133.02841	4.5
133.06413	0.4
133.10127	0.6
134.99612	0.5
135.04413	7.5
135.08049	2.8
135.09018	0.5
135.11670	3.0
136.07614	0.5
136.08678	0.9
139.96742	0.5
141.05083	0.5
145.02826	1.2
145.03905	0.4
145.06476	1.6
145.10124	4.2
146.05943	0.4
146.07118	0.6
147.08054	0.4
148.05162	0.8
148.08827	0.4
149.06024	0.5
163.03897	23.3
163.07530	43.7
163.09767	3.4
163.11169	9.9
163.12492	0.7
163.14796	4.4
164.04323	1.2
164.07027	1.9
164.08051	1.3
164.10625	0.7
181.02863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02390	0.3
53.03933	0.4
54.11831	0.2
69.35790	0.6
69.36205	1.5
77.03911	0.5
79.05506	0.9
80.81809	0.2
89.03920	0.4
91.05476	0.7
93.07029	0.5
95.04964	1.2
100.02463	0.3
102.04638	0.3
103.05457	88.8
104.05785	2.9
105.04528	0.3
105.07018	0.5
107.04924	2.2
107.08572	0.9
115.05398	0.4
117.03358	0.4
117.06998	0.3
120.05641	0.3
121.06461	0.3
121.10128	0.5
122.07105	0.3
131.04913	100.0
132.05232	3.6
133.02881	0.3
135.04387	1.1
135.08014	0.7
136.08644	0.2
145.02858	0.3
145.10133	0.2
163.03877	1.8
163.07526	43.7
163.11162	0.9
164.07916	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02382	0.6
53.03941	1.2
55.01871	1.5
55.05493	0.8
56.96555	0.9
65.03938	0.5
65.56840	0.3
67.05500	0.9
68.05029	0.3
69.03431	1.3
69.07053	0.8
69.33479	1.8
69.33904	1.1
71.05012	0.4
77.03931	0.7
79.05486	5.4
80.05013	0.4
80.05888	0.3
80.93085	0.3
81.03414	0.4
81.04549	0.6
81.07044	2.8
82.05311	0.3
83.08604	0.3
85.02910	0.5
88.54504	0.3
89.03893	2.1
91.05470	5.6
92.02653	0.3
93.07036	6.8
95.04958	4.4
95.06055	0.7
95.08600	1.1
96.06871	0.3
97.07663	0.6
98.97649	0.3
100.02471	1.8
102.04642	0.6
103.05460	84.3
104.05772	2.8
105.03371	0.7
105.04484	0.6
105.07021	6.5
107.04948	18.3
107.07337	1.0
107.08587	8.9
108.05238	0.4
109.06505	0.3
109.07604	0.4
111.84656	0.2
115.05481	2.1
117.03398	1.3
117.07030	2.1
118.03535	1.9
119.01785	0.5
119.04934	0.7
119.06069	0.4
119.08562	2.6
120.05729	2.1
120.08172	0.4
121.06505	1.8
121.10138	3.5
122.07148	1.5
122.09652	4.0
123.07981	1.0
128.02277	0.4
130.07759	0.9
131.04918	100.0
131.97440	0.4
132.05232	4.3
132.08037	0.7
133.02870	1.4
133.06439	0.5
135.04410	4.4
135.08026	4.2
135.11681	1.9
136.07594	0.3
136.08667	0.8
141.05101	0.3
145.02853	0.5
145.06459	0.6
145.07579	0.6
145.10114	4.3
145.11160	0.5
148.05171	1.0
163.03899	11.6
163.07529	43.8
163.09770	1.9
163.11165	10.8
163.14815	1.5
164.03247	0.3
164.04445	0.6
164.08131	1.8
164.10597	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	O-Acetyl-L-homoserine
Peak:m/z	Relative Intensity
53.03933	3.0
55.01863	2.7
55.05510	1.8
56.05029	22.3
56.96542	4.3
57.03434	10.0
58.02921	1.1
58.06597	2.1
60.04523	4.9
60.08163	1.4
61.02911	3.6
61.92862	1.0
69.03426	7.0
70.06583	3.0
70.74372	1.5
70.74705	1.7
71.04977	1.2
72.04504	2.9
73.02903	3.9
74.06075	100.0
75.06397	1.2
76.04017	1.0
79.05489	5.6
81.03403	2.2
81.07033	1.4
83.08588	1.6
84.04498	44.6
84.08142	1.3
85.02898	32.8
85.03423	1.6
85.04836	1.2
86.03208	0.9
87.04446	1.3
88.03946	1.0
88.07642	2.0
89.03883	5.4
91.05459	3.2
93.37424	1.1
95.01298	1.3
95.04961	3.6
96.04455	1.0
97.02885	3.5
98.00620	2.6
98.06044	10.4
98.09676	1.9
99.04448	2.5
99.08076	1.3
101.02385	2.0
102.05535	39.2
102.09146	1.3
103.03940	12.2
103.05373	1.2
105.03339	1.4
105.07034	1.2
106.06557	4.2
106.07343	1.1
107.04946	6.9
107.08585	2.3
113.04736	1.0
114.05566	1.5
115.05443	1.6
116.01669	3.2
116.05009	1.4
116.07081	42.8
116.10736	5.5
117.03394	3.6
118.06521	2.1
119.01875	1.4
120.01993	5.8
120.06565	71.2
120.96532	2.5
121.01681	3.3
121.06473	1.2
127.03887	1.7
128.80287	1.0
130.04971	4.9
133.02841	3.2
134.06004	12.5
134.09610	1.1
134.99622	1.1
135.04428	14.6
135.05438	2.3
138.03041	4.4
139.02673	1.7
144.04483	3.0
144.06522	5.1
144.08064	1.2
144.10187	1.3
145.02847	3.0
145.04948	2.9
145.06496	1.5
157.03464	4.0
162.02112	1.5
162.05489	29.8
162.07635	4.5
162.09131	5.6
162.11259	3.1
163.02553	1.6
163.03893	29.3
163.07526	3.0
163.11157	1.1
175.04509	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	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.30321	0.4
51.02385	0.4
53.00310	0.6
53.03939	1.7
55.01868	1.0
55.05499	0.5
56.96573	0.5
61.02930	0.6
61.33993	0.4
63.02373	1.9
65.03932	0.6
68.05033	0.6
69.03419	1.7
69.04514	0.6
70.06609	0.4
71.33760	0.9
77.03901	0.5
78.98707	0.4
79.05052	0.8
79.05482	10.7
79.90630	0.4
81.04533	1.1
83.33546	0.5
85.02895	3.1
86.90606	0.4
89.03906	73.4
90.04238	1.8
91.05457	2.5
93.07030	1.3
95.04958	5.4
95.06081	1.6
96.06813	0.6
97.02905	0.7
97.07658	0.6
103.05464	3.6
105.03404	0.5
105.04481	1.1
105.07041	1.3
107.04940	17.3
107.06038	1.0
107.08589	1.6
108.05524	0.7
109.02905	0.5
109.07607	1.0
116.90824	0.4
117.03365	54.1
117.06990	0.8
118.03703	1.3
119.04944	0.7
119.06055	0.8
120.05587	0.7
121.06490	0.6
121.10120	1.1
122.07142	2.0
123.07909	1.6
131.04907	3.7
132.08093	0.7
133.02852	1.0
135.04396	100.0
135.11661	0.7
136.04715	2.8
136.08688	1.8
137.07152	0.6
139.01767	0.7
145.02831	36.5
145.03894	2.3
145.06512	0.7
145.09984	0.6
146.03209	1.5
146.07115	0.7
160.08044	0.6
163.03883	72.0
163.07495	2.2
163.09764	3.5
163.11133	1.4
164.04286	3.0
164.06984	0.6
164.08276	0.5
172.49594	0.5
181.02896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0751
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.03371	0.3
51.02367	0.4
53.03940	1.6
54.03452	0.6
55.01859	1.2
55.05506	2.7
56.96558	3.2
57.03422	0.9
57.07064	0.8
65.03930	0.9
67.05497	1.8
68.05025	0.6
68.99785	0.3
69.03423	2.5
69.07060	2.5
71.04994	0.3
71.19834	0.6
72.93778	0.4
73.02906	0.5
77.03928	0.9
79.05483	8.7
80.04996	0.6
80.93095	0.4
81.03411	0.6
81.04528	0.8
81.07055	3.5
82.01426	0.3
82.05302	0.7
83.04984	0.8
83.06078	0.4
83.08617	1.9
85.02905	0.8
89.03903	2.9
90.94810	0.2
91.05470	7.3
92.02608	0.5
92.05807	0.4
93.04547	0.3
93.07033	10.6
94.06578	0.3
95.04961	5.9
95.06054	1.7
95.08589	2.5
96.06860	0.7
97.06506	0.3
97.07629	0.8
98.97584	0.6
99.04443	0.3
100.02461	3.5
102.04655	0.4
102.96883	0.4
103.05454	83.6
104.05769	2.6
105.03374	0.9
105.04490	1.3
105.07017	7.7
106.06535	0.4
107.04945	10.6
107.06108	0.7
107.08578	16.7
107.14771	0.3
108.05550	1.1
108.08106	0.5
108.08887	0.5
109.06479	1.4
109.07632	0.8
113.96375	0.4
115.05453	1.5
116.03075	0.5
116.98643	0.7
117.03366	2.2
117.06991	3.6
118.03511	3.2
119.01773	0.9
119.04941	0.9
119.06074	0.8
119.08559	4.4
120.05598	0.6
121.06494	2.5
121.10127	9.7
121.95688	0.4
122.07137	2.6
122.09680	0.3
123.03959	0.3
123.07983	1.4
128.02312	0.7
129.06973	0.8
130.06497	0.6
130.07753	1.8
131.04910	100.0
132.05234	4.4
132.08086	0.6
133.02838	3.3
133.06454	0.3
133.10115	0.3
134.99641	0.4
135.04408	7.6
135.05434	0.3
135.08034	4.2
135.11671	6.1
136.04747	0.4
136.07547	1.3
136.08669	2.0
137.05441	0.5
139.53044	0.3
139.96690	0.3
143.08546	0.8
145.02823	1.4
145.03893	0.5
145.06505	1.4
145.07523	0.3
145.10103	8.3
146.07097	1.1
146.10477	0.5
147.03265	0.7
147.08040	0.4
148.05183	0.7
148.08792	0.6
163.03885	18.4
163.07523	43.2
163.09767	4.4
163.11162	17.1
163.14774	4.1
164.03349	0.8
164.04460	0.7
164.06950	1.0
164.07954	1.3
164.11632	0.6
173.01180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02379	0.2
53.03944	0.4
55.01868	0.2
55.05505	6.1
64.94695	0.2
65.03934	0.3
67.05513	0.4
69.03429	0.2
69.07055	2.4
69.33670	0.7
69.34093	1.0
77.03912	0.2
78.93114	0.3
79.05479	1.8
81.07050	0.8
84.16470	0.2
89.24364	0.2
91.05467	7.6
93.04513	0.3
93.07027	1.4
95.04933	0.5
95.08607	0.2
98.21523	0.3
103.05447	1.5
104.06243	0.8
105.07018	15.2
106.06583	0.3
106.07343	0.4
107.08572	1.5
115.05426	1.0
117.07013	3.2
118.04140	0.5
119.08564	100.0
120.05553	0.3
120.08070	0.2
120.08868	2.9
120.96551	0.2
121.06367	0.9
121.10129	2.9
128.06224	0.3
131.08534	2.4
132.09216	0.2
133.06502	0.6
133.10110	17.0
134.05986	0.2
134.07103	0.5
134.10445	0.6
143.08533	0.3
145.10085	0.3
146.03639	0.3
146.07306	0.4
146.10904	1.0
159.11629	1.2
161.05940	1.1
161.08131	0.7
161.09583	1.7
161.13234	19.2
162.05470	0.7
162.09065	0.4
162.13559	0.7
169.06569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02364	0.2
52.27663	0.2
53.03942	0.6
55.05503	6.5
56.96552	0.5
67.05502	0.4
69.03407	0.2
69.07063	2.1
71.18373	0.3
77.03906	0.2
78.93113	0.3
79.05477	2.6
81.07049	0.9
91.05468	7.8
92.05809	0.3
93.07024	1.4
95.04959	0.7
98.97559	1.3
103.05444	2.2
104.06242	0.5
105.07017	20.7
106.07344	0.5
107.04960	0.2
107.08581	1.5
115.05452	1.3
116.98600	1.0
117.07005	3.0
118.04158	1.0
118.07742	0.2
119.08563	100.0
119.95692	0.3
120.05611	0.2
120.06502	0.2
120.08092	0.2
120.08882	3.2
120.39563	0.2
121.06364	0.6
121.10125	2.9
128.06213	0.5
130.07753	0.3
131.04927	0.5
131.08551	2.9
132.09332	0.3
133.06487	1.4
133.10110	17.4
134.06006	0.3
134.07024	0.4
134.10454	0.6
134.99648	0.7
136.06497	0.2
137.96753	0.2
143.08559	0.2
144.08067	0.4
144.09198	0.2
145.06462	0.3
145.10101	0.3
146.03615	0.7
146.07202	0.6
146.10892	0.6
158.99652	0.3
159.11716	0.8
161.05962	4.1
161.08122	0.4
161.09593	2.4
161.13234	17.9
162.05499	0.7
162.09081	0.4
162.13634	1.1
177.00760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01580	0.5
51.02388	0.7
53.03940	1.8
55.01865	1.7
55.05494	0.6
57.03422	0.5
58.59085	0.2
65.03924	0.7
67.05472	0.7
68.06365	0.3
69.03423	1.2
69.07058	0.3
69.28930	2.8
69.29350	0.7
77.03916	0.8
79.05486	10.1
81.03401	0.6
81.04522	0.3
81.07031	1.0
89.03892	1.5
91.05475	9.2
92.06253	0.8
93.03358	0.3
93.07030	2.9
95.04963	5.1
95.08607	0.6
100.02447	0.4
102.04680	0.7
103.05459	98.7
104.05772	3.1
105.03391	0.5
105.04517	1.3
105.07022	8.8
106.07352	0.6
107.04945	70.7
107.08590	4.2
108.05244	1.7
109.06535	0.5
115.05441	6.6
117.03365	1.2
117.07013	3.3
118.01180	0.3
119.04984	0.5
119.08550	1.0
120.05711	6.8
121.06527	2.9
121.10110	1.6
122.07122	0.5
123.07983	0.7
130.07768	0.7
131.04915	100.0
132.05241	4.5
133.02859	0.8
133.06462	1.8
135.04411	3.3
135.08038	12.9
135.11629	0.8
136.07542	1.5
136.08444	0.8
143.08527	0.3
145.02840	1.1
145.06436	1.0
145.07620	1.9
145.10135	2.0
148.05161	0.7
149.59575	0.3
163.03911	5.3
163.07530	30.0
163.09767	1.6
163.11169	6.0
163.14816	0.6
164.08011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08334	0.8
53.03922	1.5
55.01831	1.1
55.05497	1.9
56.96550	1.7
67.05493	1.2
69.03423	4.2
69.07055	1.2
73.02879	0.9
78.92431	1.7
78.93098	5.0
79.05467	3.1
81.07034	2.2
91.04950	1.2
91.05471	10.1
93.07030	4.0
95.04931	1.5
95.08595	1.4
96.94143	3.0
97.02858	1.3
98.05966	0.9
101.94982	1.1
103.05451	2.1
105.03442	1.1
105.07021	47.6
106.06621	1.0
106.07366	0.8
107.04932	2.6
109.18350	1.1
115.05447	4.6
117.06980	2.7
118.04158	1.4
119.08569	13.1
119.95716	5.3
120.03313	0.9
120.96503	1.4
121.06487	17.7
127.11619	0.9
128.06204	6.6
131.04884	3.9
131.08516	2.0
132.05666	1.2
133.06433	4.2
133.10117	28.1
133.11078	1.9
134.06079	1.8
134.07071	1.5
134.10490	1.5
137.96765	5.1
138.98938	1.2
141.98105	0.9
143.08556	7.0
144.08018	1.4
145.06465	3.5
145.48964	1.2
146.03600	1.2
146.07249	26.2
156.00887	1.6
159.08000	1.5
161.05963	3.9
161.09601	100.0
161.13226	8.6
162.05453	4.9
162.09940	4.0
180.04483	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	161.1072
Annotation	Tryptamine
Peak:m/z	Relative Intensity
53.02848	0.2
53.03956	0.4
55.01867	0.6
55.05508	0.3
56.05021	0.9
56.96556	0.5
57.03424	0.4
58.06572	0.5
59.04999	0.3
59.06121	1.4
60.04520	2.3
61.02930	0.2
65.03934	0.3
68.05024	0.2
69.03423	0.8
70.06588	0.3
72.04504	0.5
72.08130	0.4
73.02888	0.3
74.06049	0.5
75.05576	0.2
78.93113	0.4
79.05481	0.8
80.05000	0.5
81.07010	0.3
83.06092	0.6
84.04465	1.1
84.08157	0.3
85.02888	1.4
85.07651	0.3
86.06068	1.2
87.04460	0.3
88.07615	0.3
91.05466	4.6
93.04536	0.3
93.07021	0.8
95.04981	0.4
95.06110	0.3
97.02869	0.8
97.07665	0.3
98.06049	0.6
101.03517	0.3
101.07118	0.7
102.05528	1.3
103.05441	1.3
104.06236	7.0
105.03402	0.4
105.07039	3.5
106.06609	0.6
106.07336	0.3
107.06049	0.4
113.02353	1.4
115.03932	0.3
115.05434	7.6
115.08671	0.3
116.04978	0.5
116.05760	0.3
116.98637	0.2
117.07002	100.0
118.06535	0.5
118.07313	4.0
119.01128	0.4
119.01913	3.6
119.07149	0.2
119.08591	1.3
119.95802	0.3
119.96791	0.4
120.01997	0.5
120.05669	0.4
120.06583	0.5
120.08088	6.7
120.96491	1.0
120.97884	0.6
121.06407	1.3
125.02370	0.2
125.07047	0.3
128.06177	0.4
128.09435	0.4
132.07970	0.4
133.06490	1.3
133.08455	0.4
133.10118	1.1
134.05986	1.3
134.07050	1.0
134.09595	0.5
134.99597	0.7
137.02931	2.5
138.03110	0.2
138.98952	0.6
139.51419	0.3
139.66183	0.2
143.03505	0.4
143.07312	1.5
143.08304	0.5
144.08064	73.7
144.68542	0.3
145.06500	1.3
145.08412	2.6
147.06721	0.2
155.06020	0.7
156.96165	0.3
156.99994	0.4
161.04587	0.5
161.05925	1.6
161.06999	0.4
161.08032	1.1
161.09410	2.6
161.10724	8.9
161.13223	0.9
162.05463	2.9
162.06676	0.3
162.09126	4.5
162.10414	0.4
179.87970	0.2
180.04498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01588	0.4
50.98610	0.3
51.02371	0.8
52.80248	0.4
53.03946	2.4
55.01863	4.1
55.05506	0.4
56.96552	0.9
58.96170	0.3
59.06128	0.7
60.04508	0.9
65.03917	0.7
66.04705	1.7
68.02599	0.4
69.03408	0.5
69.96629	1.0
70.76307	0.3
73.00815	0.3
74.06084	0.4
77.03916	1.1
78.93106	1.0
79.05482	20.6
81.03436	0.4
81.04542	0.3
83.06080	0.4
84.04465	0.4
85.02895	0.5
85.07688	0.3
89.03899	1.2
90.04691	3.3
91.05464	4.8
92.02613	0.8
93.04518	1.2
94.04173	0.4
95.04960	6.2
96.94103	0.4
97.02872	0.6
101.07090	0.4
102.04688	0.8
102.05497	0.4
102.96835	0.3
103.05453	27.0
105.03412	1.8
105.04504	1.3
105.07016	100.0
106.06680	0.5
106.07348	2.6
107.04939	1.1
107.06025	0.4
115.05438	29.6
116.05762	0.7
117.06999	1.0
118.04147	20.6
119.01952	0.7
119.08560	2.3
119.96783	0.4
120.04388	0.3
120.05624	1.6
120.06409	0.4
120.08076	2.2
120.97906	0.4
121.06387	2.2
130.04059	0.4
131.04922	5.0
132.05659	1.4
133.02834	1.2
133.06474	51.0
133.10115	1.4
134.05962	0.7
134.06981	2.1
137.96800	0.6
138.98929	0.4
143.04962	0.4
143.06004	3.7
143.08475	0.7
144.04390	0.6
144.08063	3.4
145.06425	0.4
146.03618	0.8
146.07281	0.4
161.02290	0.6
161.04579	0.7
161.05952	11.0
161.06982	0.5
161.08122	2.0
161.09544	2.5
161.10776	0.5
161.13243	1.2
162.05452	2.1
162.09096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.35629	0.4
53.03934	2.2
55.01868	3.5
55.05508	1.0
55.96735	0.3
56.96567	1.3
58.23256	0.4
65.03914	0.4
66.04718	1.1
67.05490	0.6
68.47926	0.4
69.03429	1.1
69.07059	1.1
71.59509	0.6
74.06065	0.5
77.03936	0.5
78.93132	2.9
79.05483	18.1
81.07049	2.1
82.33234	0.3
89.03911	0.9
90.04702	2.8
91.05469	9.0
92.02618	0.6
93.04520	1.4
93.07021	2.1
95.04955	4.5
95.08592	0.4
96.94149	0.9
102.04736	0.6
103.05457	19.6
104.05760	0.5
105.03377	1.0
105.07016	100.0
106.06659	0.6
106.07345	2.5
107.04932	1.5
107.06069	0.7
107.08590	0.8
113.02326	0.6
115.05439	24.4
116.05728	0.8
116.07050	0.4
116.98619	0.6
117.07015	1.9
118.04147	17.2
118.06560	0.5
118.07724	0.4
119.04932	0.4
119.08568	24.0
119.95714	2.4
120.05547	1.1
120.08900	0.4
121.06433	3.1
121.10126	0.5
128.06201	1.6
131.04932	3.6
131.08533	2.0
132.05664	1.4
132.09361	0.4
133.06477	40.7
133.10112	12.9
134.05998	0.6
134.07008	2.2
134.09579	0.4
137.96735	2.0
138.98853	0.7
139.06903	0.5
143.04961	0.7
143.06001	2.7
143.08527	2.2
144.08064	1.0
145.06572	0.6
146.03645	1.8
146.07256	4.0
161.05971	13.0
161.08124	2.2
161.09576	14.8
161.10934	0.8
161.11942	0.6
161.13231	10.3
162.03488	0.6
162.05397	1.4
162.09048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.63923	0.5
51.02377	0.7
53.03936	1.9
55.01865	3.4
55.05499	1.1
60.04538	0.7
65.81255	0.4
66.04704	1.0
66.38987	0.5
67.05492	0.6
69.03407	0.7
69.07049	1.1
69.93757	2.1
74.06125	0.5
77.03888	0.7
78.93104	1.3
79.05484	13.6
81.07070	0.7
82.05344	0.5
84.04503	1.4
89.03922	1.4
90.04672	2.2
91.05465	8.6
93.07040	0.8
95.04941	4.5
96.94152	0.6
102.04659	1.0
103.05447	16.6
105.03378	0.6
105.07014	69.9
106.07354	2.2
107.04928	1.5
107.06065	0.6
115.05437	15.7
116.05721	0.6
117.07021	1.3
118.04144	28.6
119.04941	0.7
119.08556	9.1
119.09347	0.7
119.95681	1.0
120.05570	1.5
121.06391	3.3
122.80048	0.5
128.06204	1.3
129.06992	0.9
131.04907	10.0
131.08546	1.9
132.05659	1.2
133.06474	27.9
133.10101	8.3
134.06026	0.9
134.07039	1.9
134.99770	0.6
137.96762	1.2
143.04987	0.7
143.06024	2.1
143.08531	1.4
144.04459	0.6
145.06400	0.6
146.03609	14.6
146.07271	3.1
147.04379	0.9
161.05959	100.0
161.08165	2.8
161.09550	15.2
161.13245	7.2
162.05270	1.1
162.06566	3.2
162.09091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1332
Annotation	2-Aminooctanoic acid
Peak:m/z	Relative Intensity
54.11215	0.2
54.76509	0.2
55.01865	0.4
55.05500	0.6
56.05028	1.5
56.96564	1.2
57.03435	0.6
57.05816	0.6
58.02935	0.3
58.06594	8.0
59.06117	2.9
59.93101	1.6
60.04261	0.3
60.04514	1.6
67.04227	0.5
68.05009	0.4
69.03407	0.6
69.07057	0.5
70.02953	0.3
70.06585	1.0
71.07361	1.0
71.15053	0.6
72.04495	0.5
72.08148	17.3
73.02905	0.5
73.06530	0.2
73.08451	0.3
74.06089	0.3
75.05586	0.7
76.93336	0.2
77.94135	0.8
79.05491	0.6
80.05006	0.2
83.06079	0.5
84.04495	1.3
84.08138	0.4
85.02895	0.6
85.03998	0.3
85.07664	0.5
86.06053	0.7
87.04455	0.4
88.07599	0.3
91.05460	0.9
94.04159	0.3
95.95178	0.5
96.04483	0.4
96.08108	0.6
97.02882	0.6
97.07642	0.4
98.06052	0.5
98.97581	0.4
99.05560	0.3
100.03939	0.6
100.07605	0.3
101.02441	0.2
101.07118	1.1
102.05518	0.9
104.04955	0.3
105.07024	3.4
113.02374	0.6
114.05505	0.7
114.12794	100.0
115.05442	9.3
115.12484	0.3
115.13146	2.4
116.04861	0.2
116.05791	0.4
116.98604	0.7
117.05752	5.4
117.07018	0.5
118.06543	4.1
118.08681	0.2
118.96754	6.0
118.98125	0.3
119.01924	2.5
120.07645	0.3
121.06366	0.3
125.07063	0.4
130.06522	1.3
131.04944	0.5
131.07265	0.7
132.04405	0.6
132.08072	11.6
133.05324	0.3
133.06465	2.4
133.08420	0.7
133.10149	0.4
133.99071	0.2
134.99644	0.7
136.00009	0.6
136.99200	0.4
137.02939	1.4
138.54211	0.2
142.03470	0.7
142.06528	1.6
142.07523	0.4
142.08636	0.3
143.07263	1.0
143.08195	0.6
144.06606	0.2
150.95680	0.4
153.00711	0.2
154.96451	2.2
159.06793	1.6
160.07558	49.3
160.09691	1.3
160.13312	15.4
161.05952	0.5
161.07889	2.7
161.09329	0.7
161.13651	0.3
166.21284	0.2
172.97432	0.5
178.05577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.80249	0.2
54.03453	0.3
55.01855	0.8
55.05498	1.0
56.05018	1.0
56.96557	2.6
57.03425	1.2
58.02961	0.4
58.06586	1.0
59.04999	5.7
59.06121	4.0
59.93110	2.5
60.04522	1.8
61.02900	0.9
65.03922	0.4
67.04237	1.6
68.05000	0.5
68.99779	0.7
69.03416	1.5
69.07059	0.3
70.06577	0.9
71.00784	0.6
71.01366	0.4
72.04498	0.7
72.08150	2.8
72.93752	0.4
73.02904	0.7
74.06057	0.7
75.05585	0.5
77.94136	0.8
79.05481	1.2
80.05033	0.3
81.03407	0.4
82.06571	0.3
83.00764	0.8
83.04971	0.3
83.06091	0.7
84.04500	1.4
84.08124	0.6
85.02888	1.0
85.05281	0.5
85.07651	0.8
85.08911	0.3
86.06055	2.5
86.09702	0.5
87.04444	0.8
88.03971	0.5
91.00542	0.2
91.05487	1.5
92.01285	1.3
94.04192	0.3
95.04924	0.4
95.06058	0.3
95.95186	0.4
96.04469	0.3
96.08109	1.1
97.02879	1.2
97.07637	0.6
98.06014	0.4
98.97568	1.4
99.05565	0.8
100.01028	0.3
100.03976	0.4
100.05862	0.3
100.07590	0.6
101.00881	0.4
101.02364	0.3
101.06011	15.3
101.07001	1.3
102.05521	1.0
102.06247	0.4
102.09182	0.4
103.05449	0.8
104.01317	0.3
104.04972	0.2
105.07024	9.7
107.04938	0.6
111.05570	0.3
112.05116	0.3
113.02351	1.0
113.07145	0.3
114.05531	1.2
114.09158	1.0
114.12802	3.2
115.05452	16.1
116.01654	0.9
116.04899	0.3
116.05761	0.5
116.10712	0.8
116.98583	1.5
117.01846	1.0
117.05757	10.5
117.07022	1.2
117.98912	0.3
118.01050	0.4
118.06552	3.2
118.08635	0.9
118.95968	0.4
118.96760	6.2
118.98149	0.3
119.01905	4.7
119.04895	0.3
119.96832	0.3
120.05691	1.0
121.01641	0.5
123.47124	0.2
124.07568	0.4
125.02275	0.4
125.07102	0.6
126.12724	0.3
128.08144	0.6
130.06517	1.9
131.04912	1.0
131.07356	1.1
132.00757	0.5
132.04446	0.5
132.08083	22.5
133.03488	0.2
133.05246	1.0
133.06480	7.2
133.08424	0.7
133.10074	0.4
133.99036	0.3
134.01248	0.2
134.05969	0.5
134.06979	0.2
134.99649	2.0
136.00000	0.3
136.02644	0.2
136.99203	0.3
137.00098	0.2
137.02953	3.0
139.02612	0.3
141.01183	0.3
142.02298	0.4
142.03465	1.5
142.05023	0.2
142.05374	0.3
142.06503	3.3
142.08638	0.7
143.07259	2.8
143.08214	0.7
145.01672	0.3
146.01646	0.5
146.06001	0.7
146.07120	0.3
146.99678	0.7
148.05675	0.3
150.95702	1.0
151.07483	0.5
154.01004	0.3
154.96417	2.5
159.06775	3.3
160.04579	2.0
160.07565	100.0
160.10582	3.5
160.13330	0.8
161.02972	0.3
161.04695	0.3
161.05943	0.5
161.08020	3.5
161.09323	0.7
163.02748	0.7
165.00656	0.3
172.97542	0.8
177.98079	0.4
178.05637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0756
Annotation	2721-59-7
Peak:m/z	Relative Intensity
55.01873	0.3
55.65431	0.2
59.93104	0.2
66.30904	0.2
67.04240	1.7
70.88880	0.6
77.03561	0.2
79.05485	0.7
88.08991	0.2
91.05470	1.0
94.04200	0.3
95.04947	0.2
103.05432	0.4
105.07022	5.1
107.04953	0.5
110.87484	0.2
114.12810	1.7
115.05444	18.7
116.04980	0.3
116.05749	0.3
117.05750	10.3
117.07052	0.6
118.06554	0.5
120.04442	0.3
130.06500	1.3
131.04951	1.0
131.07298	1.2
132.08080	18.9
133.05237	1.1
133.06473	4.3
133.08444	0.4
134.06026	0.3
136.29651	0.2
140.04897	0.4
142.06508	3.4
143.07291	2.8
144.04489	0.3
145.05180	0.3
146.05956	0.4
159.06781	3.7
160.07565	100.0
161.07938	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	160.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71920	0.2
71.11365	0.4
71.11745	0.5
72.10174	0.2
90.64729	0.2
101.37103	0.2
116.04724	100.0
117.05059	2.1
134.05730	0.7
160.03688	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	160.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05498	0.6
56.05016	0.6
56.96548	0.9
57.03425	0.6
58.05306	0.2
58.06583	0.5
59.06118	2.2
59.93093	0.9
60.04531	0.9
60.06446	0.2
65.03922	0.8
68.05009	0.2
69.03398	0.3
69.07061	0.3
70.06570	0.7
72.08145	0.4
73.02927	0.3
74.06070	0.4
75.05571	0.4
76.03139	0.3
76.93369	0.2
77.93387	0.4
77.94135	0.3
78.93120	0.4
79.05475	0.9
83.05014	0.2
84.04482	0.5
85.02895	0.3
85.07626	0.2
86.06039	0.5
86.08412	0.2
87.04462	0.3
88.03995	0.2
89.03905	0.2
90.03421	0.4
91.05466	1.0
92.04980	2.8
95.04972	0.3
95.95169	0.3
96.04438	0.2
96.08118	0.4
97.02882	0.3
97.07627	0.3
98.20959	1.2
98.97586	0.3
99.97927	0.3
100.03941	0.3
100.07592	0.4
100.08729	0.3
100.11258	0.5
101.07126	0.5
102.05548	0.3
102.09146	0.3
103.05457	0.7
104.02629	0.2
105.03376	0.4
105.04503	2.8
105.07017	4.1
112.05058	0.6
113.02358	0.3
114.05540	0.4
114.09158	0.6
114.12766	0.2
115.05454	1.5
115.08652	0.3
116.98606	0.5
117.05716	0.7
117.07040	0.3
118.04163	0.6
118.06537	2.8
118.08740	0.2
118.96101	0.2
118.96765	2.5
118.98186	0.2
119.01910	0.4
119.06025	0.3
119.08612	0.5
119.95771	0.3
120.05556	0.6
121.06386	0.7
125.07112	0.3
130.06494	0.8
131.04878	0.2
132.04478	0.6
132.05559	16.4
132.08046	1.9
132.08894	0.3
133.02783	0.4
133.06564	1.9
133.10092	0.6
134.07117	0.6
134.99658	0.5
135.05507	2.2
135.96959	0.2
135.99968	0.3
136.79761	0.2
136.99159	0.3
137.96790	0.2
142.02118	0.4
142.06564	0.3
142.08609	0.5
143.08296	0.2
150.95699	0.3
154.59010	0.3
154.96468	1.0
160.05042	100.0
160.07559	5.1
161.05365	3.4
161.08163	0.8
161.09592	0.7
161.13219	0.4
172.97546	0.3
178.13698	0.2
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
53.03960	0.8
55.05516	1.4
56.05054	0.5
56.96564	10.1
57.03442	1.2
59.93107	2.4
65.03945	1.0
67.05494	3.6
70.81477	1.6
71.95280	0.7
72.04534	0.5
76.92894	1.9
76.93365	27.8
77.94173	0.5
79.05486	2.2
81.07063	1.4
85.54516	0.5
91.05477	18.7
92.05834	0.9
93.07025	0.5
94.94398	8.9
95.04923	0.7
98.97565	4.9
103.05465	1.5
104.53220	0.7
105.07025	21.2
106.07386	0.8
112.95425	2.2
113.02382	1.5
114.09164	0.5
115.05443	6.8
116.06228	3.7
116.97307	0.4
116.98621	7.4
117.07013	36.7
117.95969	19.8
117.98941	0.5
118.06545	1.8
118.07289	0.9
118.96037	0.8
118.96766	4.7
119.08568	10.9
120.08916	0.5
128.06190	1.5
129.06999	21.8
130.06606	1.0
130.07788	20.1
131.08565	82.9
132.08046	2.4
132.08914	3.3
134.99669	9.8
135.00679	0.7
135.55827	0.7
135.97021	16.5
136.00040	1.0
136.97119	0.6
141.01805	3.5
142.07759	2.0
143.08553	2.4
144.09338	24.1
145.09662	1.0
150.95772	0.5
153.00690	1.6
154.96475	1.3
157.10083	4.1
158.01147	0.6
158.98608	2.0
159.08043	1.7
159.11679	100.0
160.07559	4.1
160.09674	1.0
160.12006	6.1
163.03889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.47099	0.7
56.96552	0.8
59.93081	1.3
62.64683	0.8
67.05488	4.6
70.03871	3.4
72.04488	1.0
76.92892	1.5
76.93356	20.0
79.05485	3.6
81.07029	3.1
84.57903	0.7
91.05470	16.8
93.07014	1.3
94.94395	6.9
95.04919	0.8
96.08079	0.9
98.21442	0.7
103.05462	1.5
105.07009	14.7
112.95421	1.3
113.02372	1.9
114.09129	0.9
115.05419	6.5
116.06230	3.2
117.07005	48.7
117.95965	15.0
118.06541	1.2
118.07314	1.6
118.96753	2.7
119.08559	6.7
125.21781	0.7
129.06992	11.1
130.06778	1.4
130.07773	13.3
131.08553	85.7
132.06444	0.7
132.08044	1.8
132.08888	3.3
134.99640	2.0
135.97002	14.5
141.01823	6.5
142.06505	0.7
142.07704	0.9
143.08601	0.7
144.09319	11.1
157.10106	3.3
158.98599	2.4
159.08192	3.4
159.11671	100.0
160.07500	4.1
160.09622	1.5
160.12007	4.4
162.67265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86705	0.2
55.01863	4.6
55.05510	1.9
55.93518	2.4
56.05031	1.1
56.94314	0.4
56.96562	3.0
57.03426	0.5
57.04551	0.3
58.06584	0.7
59.06118	1.0
60.04520	0.7
67.02978	0.4
67.05498	0.6
68.05020	0.7
68.99784	0.4
69.03423	0.8
69.04539	0.3
69.07065	3.7
69.96178	0.5
70.02946	0.2
70.06580	1.1
70.95857	36.5
71.04961	0.2
71.06120	0.4
71.52472	0.4
71.94100	0.9
71.95880	0.4
72.04520	1.1
72.08150	1.9
72.93782	28.2
73.02887	0.3
73.04019	0.4
73.93843	0.5
73.94573	0.4
74.06058	0.3
74.93825	0.6
80.05032	0.3
81.03419	0.3
81.04531	0.7
82.02921	0.3
82.06561	1.4
83.04975	0.6
83.06094	1.8
83.08606	0.5
84.04483	0.8
84.05621	0.2
84.08149	1.2
84.75539	0.3
85.07657	0.8
86.06050	0.5
86.09699	0.6
88.96893	13.0
90.94812	8.6
93.04521	0.6
93.07033	0.8
94.06557	0.6
95.06075	1.0
95.07352	0.3
96.04478	0.6
96.08100	0.4
97.02872	0.9
97.04023	0.7
97.06488	0.3
97.07651	1.6
98.06035	1.5
98.07155	0.9
98.09676	0.5
100.02473	1.0
100.03958	0.4
100.07594	0.3
101.00867	0.8
102.94874	0.3
106.97944	1.7
108.08104	0.5
108.95840	1.6
110.03564	0.5
110.06058	1.5
110.07159	10.0
110.09675	8.5
111.00796	4.0
111.04431	0.6
111.05556	1.0
111.09190	0.9
111.09895	0.3
111.98464	13.6
112.07609	0.3
113.10757	28.1
113.96407	2.8
114.06640	0.4
114.09146	1.3
114.10274	2.3
114.11091	0.7
114.94794	1.0
115.08664	1.7
115.96430	0.8
116.98626	0.3
118.03493	0.9
119.01913	6.2
120.02002	0.6
121.06488	0.9
125.02384	0.4
128.07127	0.4
129.99504	9.4
131.01863	0.4
131.96187	0.6
131.97414	1.9
132.01978	0.7
132.05035	0.6
132.95813	33.5
133.01630	1.0
133.03435	1.5
133.96016	0.6
133.97484	0.7
134.02977	0.9
137.02940	3.1
138.02986	0.3
138.05482	3.6
138.06577	0.7
138.09109	0.6
139.06453	0.4
139.07567	0.4
139.08618	0.6
142.02582	0.6
142.03522	2.3
149.97209	1.7
149.98254	0.4
150.06006	0.3
150.96864	100.0
151.04518	0.6
151.06171	0.3
151.65109	0.3
151.96991	2.4
152.97292	0.3
155.97394	3.7
156.05309	0.3
156.06523	1.0
156.07658	1.7
156.08765	0.5
156.10155	3.3
156.11311	6.6
157.01303	0.6
157.04941	2.8
157.07613	0.3
157.09702	0.4
160.04562	0.7
164.98434	0.3
167.98163	0.3
168.97916	5.0
173.98468	6.3
174.06136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
54.93830	3.4
55.05483	1.5
55.93521	3.4
55.94612	5.7
56.05016	1.3
56.94292	0.8
56.96554	0.8
57.03433	0.9
58.06590	0.5
58.99846	1.2
62.42265	0.4
65.03899	0.5
67.05482	1.0
68.05011	1.0
69.03412	1.0
69.96166	21.6
70.06580	2.5
70.95856	14.0
70.96230	0.2
71.04967	0.4
71.58115	0.7
71.92989	0.5
71.94094	13.2
72.04485	0.5
72.08137	1.6
72.93777	42.3
73.02895	0.8
73.95657	2.7
77.00892	1.4
77.93003	0.4
79.05492	0.5
81.03396	0.6
81.07043	1.0
82.05305	1.0
82.06547	1.4
83.04973	2.9
83.06093	3.0
83.43826	0.4
84.04491	0.4
85.02882	0.9
85.95620	1.8
86.06038	1.5
87.97203	2.0
88.96893	5.3
89.95126	5.7
90.94813	15.7
91.05432	0.5
93.04507	1.1
94.06569	0.6
95.01299	0.4
95.01906	0.5
95.04960	1.4
95.06080	2.1
95.08549	0.5
96.04483	2.6
96.08138	0.9
97.02834	0.5
97.07624	2.6
98.06010	0.9
98.97539	0.6
99.04440	0.9
100.02453	3.6
101.00861	2.4
101.95114	1.1
102.94796	0.6
103.02409	1.0
103.96689	2.9
104.96355	1.1
105.00426	0.5
106.97912	1.3
107.96150	1.3
108.95839	4.7
109.02848	1.0
109.06502	0.7
109.07638	1.0
109.10117	0.6
110.06030	0.8
110.07150	20.3
110.09668	0.9
110.98758	0.7
111.04438	1.3
111.09171	0.8
111.98443	4.8
112.07603	0.9
112.96696	1.2
113.00823	3.4
113.03416	0.7
113.06025	2.2
113.07088	0.5
113.10746	5.5
113.95106	1.7
113.96383	15.8
118.03503	2.3
119.01905	22.0
119.96138	0.5
120.02019	1.0
121.03459	0.7
121.97704	1.4
123.04398	0.5
125.10762	0.5
126.09119	0.5
127.03883	1.6
127.07482	0.8
129.99500	3.5
130.97746	1.0
131.01888	40.6
131.96129	44.0
131.97403	18.1
132.01941	4.0
132.05035	0.9
132.95805	14.1
133.03426	1.9
137.02953	7.1
137.06024	0.5
137.07076	0.8
137.10736	0.8
138.09178	2.4
138.10048	0.5
140.04794	0.5
142.03459	3.8
145.03427	1.0
146.96085	0.8
149.02939	16.0
149.97182	100.0
150.03023	1.5
150.06216	0.5
150.96858	42.3
151.04507	1.0
151.97618	0.4
154.03452	1.2
154.04948	0.6
154.97719	3.1
154.98962	0.7
155.01872	3.4
155.03421	1.4
155.05318	1.3
155.06992	3.4
155.08182	1.0
155.11746	3.5
155.12859	0.6
155.97423	2.1
156.06558	0.9
156.07684	1.4
156.10141	0.7
156.11331	1.1
160.04544	1.4
163.98775	0.7
167.98227	11.3
168.97865	2.2
172.04538	0.5
172.98798	4.5
173.02954	6.2
173.04361	0.8
173.98434	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	154.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07062	0.2
52.82626	0.2
53.03920	0.3
54.93823	2.5
55.01867	0.4
55.05505	0.7
55.93513	1.3
55.94606	0.4
56.96536	0.4
57.89910	0.2
60.95847	0.3
64.99854	0.2
67.01861	0.8
67.05499	0.4
68.05032	0.3
69.88866	1.0
69.96164	28.2
70.95855	9.5
71.94089	15.8
71.94501	0.6
72.04501	0.3
72.93776	65.6
73.93826	0.5
81.03415	2.4
81.07024	0.5
83.04972	1.0
84.04469	0.3
85.95672	0.3
87.97198	1.8
88.96883	2.5
89.95126	1.7
90.94810	14.5
93.07029	0.5
95.04961	1.2
95.08592	0.4
97.06476	0.4
99.04449	0.6
99.05698	0.3
107.27492	0.2
108.95836	2.4
109.02860	4.3
109.06495	0.7
109.08482	0.3
109.10109	0.5
110.07199	0.3
110.98779	1.0
111.04425	0.7
111.98457	3.1
112.01543	0.5
112.96691	0.9
113.05955	0.5
113.95213	1.5
113.96378	26.9
127.03892	3.7
128.99794	0.3
129.99472	1.8
130.97746	0.5
131.96133	44.4
131.97408	24.3
132.95782	7.7
132.97379	0.5
137.06003	0.3
149.97176	100.0
150.96846	18.7
151.97600	0.4
154.97711	2.7
154.98982	1.5
155.02252	0.4
155.03398	1.4
155.06982	1.7
155.09283	0.4
155.97421	1.0
162.71779	0.3
163.98790	0.3
167.98233	11.5
168.97958	1.1
172.98778	4.6
173.00174	0.4
173.98451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Dopamine
Peak:m/z	Relative Intensity
51.65617	0.3
53.03923	0.7
54.93824	0.9
55.01854	0.4
55.05492	1.4
55.93510	0.6
55.95871	0.3
56.05020	0.6
56.39191	0.4
56.96558	2.2
57.03411	0.5
58.06580	0.4
65.03929	1.4
65.84264	0.3
67.05513	0.5
68.05019	1.2
68.96330	2.4
68.99786	0.9
69.03406	0.9
69.04526	0.4
69.79510	0.4
69.95800	0.5
69.96168	9.3
70.06575	0.8
70.16085	1.3
70.94248	3.0
71.94091	7.5
72.93776	8.2
79.01852	0.6
79.05492	1.8
80.02176	1.6
80.04997	0.9
80.05841	0.4
81.03400	0.8
81.04533	0.7
81.07043	4.6
82.06569	1.1
83.04971	1.1
83.06080	0.7
84.04491	0.5
84.08130	0.5
85.07642	0.4
86.06067	0.4
86.97370	0.7
87.04467	0.5
87.97223	0.4
88.95284	0.6
89.95113	0.6
90.74799	0.3
90.94812	1.8
91.05470	37.4
92.05798	1.1
94.04153	0.6
94.06561	1.0
95.04967	0.9
95.06083	1.3
95.23073	0.3
96.04499	0.5
96.06905	0.3
97.06493	0.9
97.07636	0.6
98.03247	0.4
98.06037	1.3
107.04947	1.3
108.04498	0.5
108.05271	0.8
108.08117	1.3
108.95870	0.4
109.02883	1.2
109.05150	0.5
109.06506	7.1
109.07628	1.7
109.98933	1.0
110.06042	0.6
111.04449	1.1
111.09211	0.9
112.07542	0.5
112.08730	0.4
112.96703	1.2
113.00880	0.5
113.07145	0.8
113.10646	0.4
113.95152	0.6
113.96392	4.0
119.01886	1.1
119.04926	19.0
120.05261	0.8
122.22874	0.4
125.05978	1.9
126.02708	0.7
126.05492	0.5
126.06346	0.5
126.07732	0.7
127.03899	1.5
128.00014	0.6
130.96298	2.5
130.97736	0.8
131.01900	4.1
131.96133	16.6
131.97397	3.6
136.04840	0.5
136.07588	3.4
137.05959	100.0
138.06319	3.6
144.03725	1.1
148.97334	7.1
149.02960	1.0
149.97182	38.1
150.31979	0.4
154.02164	3.5
154.03322	0.8
154.04868	4.5
154.05777	0.7
154.07349	0.6
154.08615	6.1
154.09743	1.5
154.12178	0.4
154.13319	0.8
154.90759	0.5
154.97687	0.6
155.03366	0.7
155.07008	1.0
155.08101	0.4
155.11800	0.5
163.08318	0.5
167.98212	4.9
172.98799	1.4
173.02968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93824	2.5
55.05492	0.2
55.93512	0.6
56.05017	0.3
60.18634	0.2
69.03407	0.3
69.49413	1.9
69.96169	25.0
70.95855	7.7
70.96174	0.1
71.94091	9.8
72.04534	0.4
72.93781	15.1
72.94875	0.5
81.07063	0.2
81.25424	0.2
83.04956	0.3
87.97206	1.4
88.96892	2.4
89.95126	0.9
90.94813	3.6
98.21467	0.4
99.04422	0.3
100.02464	0.3
108.95835	0.8
110.98774	0.8
111.04428	0.4
111.98470	2.7
112.96773	0.2
113.05989	0.3
113.95075	1.5
113.96386	5.1
113.97153	0.4
114.04009	0.3
114.94785	0.2
118.03568	0.2
119.01910	1.3
129.49426	0.3
129.99490	1.6
130.97733	0.3
131.01888	2.0
131.96133	37.8
131.97382	3.5
132.02063	0.4
132.05067	3.8
132.95802	6.8
133.03531	0.5
133.04553	0.2
137.02943	0.3
138.00096	0.5
138.49844	0.6
142.03546	0.3
149.02927	0.7
149.97185	100.0
150.02455	1.0
150.06085	3.2
150.96852	16.9
151.04539	0.3
151.97664	0.4
154.97758	1.9
154.98924	0.4
155.01871	0.3
155.07028	0.6
155.97438	0.7
167.98236	11.4
168.03555	0.3
168.97932	1.0
172.98793	4.3
173.00180	0.4
173.02939	0.4
173.98471	1.1
174.06122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74730	0.3
56.81270	0.3
57.43542	0.4
62.52235	0.4
71.20473	0.5
71.20805	0.5
75.69365	0.4
75.69868	0.3
95.01077	100.0
96.01378	0.9
99.69633	0.4
103.38191	0.4
113.02094	1.1
113.62212	0.4
129.32861	0.4
131.01889	1.4
154.08368	30.7
155.08736	0.9
161.09625	0.5
163.93417	0.4
168.11751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01870	0.3
55.05506	6.3
55.05781	0.3
55.93528	0.3
56.05025	1.3
56.96553	0.6
57.03410	0.2
58.06605	0.3
65.03928	0.6
67.05505	0.8
68.05024	1.0
68.96324	1.8
69.03432	0.9
69.07079	0.2
69.96165	1.2
70.06580	1.8
70.94262	1.8
71.04974	0.4
71.06092	0.3
71.58405	0.3
71.94094	5.4
72.04501	0.4
72.08156	0.5
72.93781	42.6
77.21680	0.2
79.05494	2.2
80.02189	0.4
80.05025	0.4
81.03412	0.5
81.04531	0.4
81.05775	0.2
81.07047	7.4
82.06579	1.2
82.07388	0.2
82.76898	0.2
83.04969	0.9
83.06105	0.5
83.07372	0.4
83.08617	1.0
84.04504	0.7
84.08134	0.8
85.02900	0.3
85.06592	0.3
85.07630	0.2
86.97364	0.8
87.04451	0.8
88.95287	0.4
89.95129	0.5
90.94818	13.1
91.05472	0.8
93.05775	1.0
94.06551	0.3
95.04989	1.1
95.06082	1.2
95.08587	0.5
96.04484	1.1
96.05618	0.4
96.08121	0.6
97.05261	3.2
97.07649	0.4
98.06066	3.1
98.07182	0.3
98.09678	1.8
99.04435	0.7
108.08118	3.0
108.95863	2.8
109.06507	5.9
109.07609	1.2
109.10159	0.5
109.98946	0.5
110.06030	4.6
111.04425	0.9
111.05588	0.4
111.06812	3.7
111.09185	0.8
112.04713	0.4
112.08731	0.6
112.96720	1.2
113.05971	0.5
113.07129	0.5
113.96388	20.7
121.06454	0.3
122.85576	0.2
123.04419	0.4
124.05196	0.2
124.07619	0.4
124.08714	0.3
125.08376	0.8
126.02688	0.3
126.05477	0.4
126.09150	3.4
126.09999	0.4
127.03925	0.3
127.04992	0.2
127.07500	0.3
127.09527	0.3
127.99967	0.5
130.96303	1.6
130.97707	1.2
131.96198	1.6
131.97423	22.3
136.03978	0.3
136.07527	1.2
136.08481	0.3
136.30972	0.2
137.06052	0.4
137.07135	0.6
137.09573	0.3
137.10754	0.2
138.05495	0.9
138.06520	0.3
139.06290	4.8
139.07515	0.8
144.03696	0.4
148.97343	4.9
149.95966	0.3
149.97197	5.1
149.98439	0.6
152.07076	0.3
154.02203	1.4
154.08612	100.0
154.90718	0.2
154.97905	0.3
154.99017	1.5
155.03404	0.5
155.04514	0.3
155.07040	1.6
155.09001	3.5
166.98410	0.3
167.98260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.3
51.02374	5.8
53.00295	0.6
55.01867	0.9
55.05502	0.6
56.57696	0.3
65.03926	1.5
67.05491	0.5
68.42867	0.3
69.03419	2.6
69.07059	0.4
70.08646	0.7
70.09059	1.0
70.94254	2.8
70.95840	0.6
71.06092	0.4
71.94082	1.3
74.42208	0.3
79.01844	55.5
79.05478	0.9
80.02184	1.1
81.07039	0.6
83.04986	0.5
87.00806	0.8
88.95293	0.9
91.05484	1.0
93.03401	0.5
93.07037	0.8
95.01326	0.5
95.04981	0.4
95.08607	0.9
97.02879	9.7
97.06506	0.4
107.01299	12.2
107.04970	0.4
107.08559	2.1
109.06474	0.4
109.10153	1.1
111.04424	2.8
111.08012	0.5
111.96873	1.4
112.08721	0.8
112.96722	0.4
113.18174	0.4
123.00774	2.1
125.02335	23.1
125.05975	1.0
126.02653	0.6
129.97910	1.2
130.96265	0.3
130.97697	0.4
135.08040	1.6
135.11673	0.4
142.58418	0.3
143.03375	45.1
144.03714	1.6
145.03923	0.3
148.97369	0.8
153.01814	100.0
153.02931	14.3
153.05400	1.4
153.09081	1.2
153.11311	1.0
153.12595	0.6
154.02136	3.9
154.03276	0.6
154.04977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.5
51.02375	5.4
53.00309	0.5
55.01868	1.2
55.05485	0.3
56.96553	0.3
65.03930	1.0
67.05484	0.4
68.96323	0.3
68.99778	0.5
69.03426	2.2
69.07049	0.6
69.56274	1.0
69.56695	0.9
70.06601	0.3
70.94251	3.7
70.95859	0.4
71.42078	0.3
71.94086	1.1
71.95274	0.3
75.04467	0.3
79.01846	51.1
79.05494	0.6
80.02165	1.5
81.07053	0.4
87.00829	0.6
88.95292	0.6
93.03424	0.3
93.07051	0.8
95.01299	0.4
95.04942	0.4
95.08599	0.6
97.02880	9.4
97.06508	0.6
98.21617	0.2
106.83860	0.3
107.01302	10.5
107.04934	0.3
107.08588	1.1
108.01659	0.3
109.10139	0.9
109.98907	0.3
111.04435	1.8
111.08041	0.8
111.36277	0.2
111.96870	1.4
112.96643	0.5
123.00774	2.4
125.02337	21.0
125.05962	0.8
126.02682	0.7
129.97890	1.4
135.04367	0.3
136.08665	0.4
143.03380	44.2
144.03662	1.5
144.87448	0.3
144.95396	0.3
148.97331	0.8
153.01817	100.0
153.02930	13.3
153.12723	0.9
154.02158	4.3
154.03300	0.5
154.04900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.7
51.02374	5.3
53.00299	0.6
55.01868	0.8
56.96561	0.6
65.03925	1.0
65.67937	0.4
67.05482	0.7
68.96317	0.7
68.98331	0.3
68.99770	0.5
69.03421	2.5
69.07063	1.0
69.37265	3.8
70.94252	7.5
70.95844	0.9
71.94106	2.8
79.01846	52.4
79.05500	0.6
80.02160	1.2
81.07048	0.8
83.04965	0.6
87.00812	0.5
88.95278	1.5
88.96910	0.6
89.04028	0.4
93.03448	0.5
93.07028	1.3
95.01340	0.4
95.04949	0.5
95.08595	0.7
97.02883	9.5
97.06522	0.8
102.68365	0.4
107.01301	10.4
107.08588	1.6
109.10129	0.9
111.04411	2.2
111.96851	3.5
112.08656	0.5
112.96710	0.8
123.00805	2.0
125.02339	22.9
125.06007	1.1
126.02702	0.5
129.97908	3.0
130.96303	0.6
130.97722	0.5
135.05473	0.4
135.11638	0.6
143.03383	48.0
144.03691	1.1
148.97368	1.3
153.01817	100.0
153.02934	14.2
153.11311	0.6
153.12695	1.1
154.02159	3.7
154.03291	0.6
154.04892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.7
51.02376	4.8
53.00328	0.3
55.01869	0.8
56.96552	0.3
59.17016	0.2
65.03944	1.4
67.05490	0.3
68.96320	0.4
68.99781	0.4
69.03432	2.0
69.04565	0.3
69.13644	0.2
70.06583	0.3
70.85664	0.7
70.94252	3.7
70.95862	0.4
71.94097	2.9
79.01849	50.5
79.05483	0.4
80.02174	1.2
81.07073	0.3
83.04988	0.5
87.00833	0.7
88.95284	0.7
89.95138	0.2
91.05497	0.3
93.03379	0.5
93.07049	0.4
94.79589	0.2
95.01324	0.8
95.04978	0.4
95.06081	0.2
97.02884	9.4
97.06530	0.4
107.01310	12.1
107.04951	0.4
107.08593	0.7
108.01662	0.3
111.04430	3.3
111.08054	0.4
111.09230	0.3
111.96868	1.6
112.08784	0.3
112.96679	1.2
120.59276	0.2
123.00801	1.8
125.02341	21.4
125.05982	1.2
126.02670	0.4
129.97923	1.3
130.96326	0.4
130.97765	0.3
135.04422	0.5
135.08026	0.4
135.38673	0.2
136.07567	0.4
136.08659	0.3
143.03387	45.7
144.03708	1.1
148.97350	1.1
153.01825	100.0
153.02940	12.6
153.09111	0.5
153.11357	0.9
153.12569	0.3
154.02155	3.2
154.03285	0.4
154.04982	0.3
158.01106	0.2
162.67818	0.2
166.05038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.5
51.02375	4.9
53.00306	0.3
55.01871	1.5
55.05515	0.4
65.03922	1.7
67.05493	0.5
68.05004	0.4
68.96326	0.3
68.99780	0.4
69.03424	2.4
69.07069	0.7
70.78314	0.9
70.94256	4.4
70.95841	0.7
71.94097	2.8
72.08149	0.4
79.01851	51.5
79.05484	0.8
80.02181	1.0
81.03353	0.3
81.07021	0.4
83.04987	0.9
83.06084	0.4
87.00836	0.8
88.95297	0.9
93.03423	0.4
93.07047	0.8
95.04967	0.5
95.06104	0.4
96.05618	0.4
97.02273	0.7
97.02887	9.9
97.06496	0.4
99.77383	0.3
107.01311	12.8
107.04950	0.9
107.08572	1.1
108.54243	0.3
109.10160	0.5
110.06034	0.3
111.04433	3.5
111.08036	1.2
111.96870	1.9
112.08701	1.1
112.96719	0.7
123.00783	1.8
125.02348	21.1
125.05975	1.5
126.02640	0.6
129.97910	1.6
130.96317	0.7
130.97765	0.6
132.09021	0.3
135.08055	1.1
136.07597	0.4
136.08679	0.4
138.06754	0.3
143.03387	43.4
144.03716	1.3
148.97385	1.5
153.01826	100.0
153.02939	12.9
153.09090	1.1
153.11320	1.0
153.12572	0.5
154.02109	3.0
154.03108	0.4
154.05020	0.4
161.33847	0.3
166.98132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.5
50.62554	0.3
51.02371	3.9
51.54824	0.3
53.00310	0.6
53.03951	0.4
54.93835	1.2
55.01863	2.3
55.05499	1.2
56.05016	0.4
56.96560	15.0
58.06597	0.4
65.03930	3.3
67.05487	1.3
68.05029	0.7
68.96313	2.3
68.99777	0.9
69.03425	5.7
69.04528	0.5
70.06580	1.4
70.94250	9.7
70.94635	0.6
70.95862	1.3
70.98111	5.3
71.05013	0.4
71.94093	51.5
72.08155	0.6
74.97607	0.6
77.47540	0.4
79.01846	44.9
79.05495	2.0
80.02187	1.2
81.03403	0.8
81.04527	0.7
81.07049	0.8
82.06554	0.5
83.04967	1.2
83.06097	0.8
84.02494	0.4
84.08131	0.5
85.02907	0.6
86.97384	0.7
87.00810	0.8
88.95289	1.8
88.99153	3.2
89.95130	4.8
91.05475	0.9
92.98656	0.5
92.99738	0.4
93.03392	1.4
93.07045	1.3
94.06528	0.6
94.31148	0.4
95.01328	0.5
95.04947	1.3
95.06063	1.0
95.08607	0.7
96.08130	0.8
97.02883	8.8
97.06504	1.2
97.07667	0.6
97.90952	0.4
97.99161	0.7
100.76138	0.3
106.96358	0.7
107.00265	1.8
107.01303	31.2
107.04966	1.3
107.08575	2.2
107.96172	0.9
108.01638	1.1
108.05686	0.3
108.08096	0.7
109.06480	0.7
109.07619	1.1
109.10142	0.4
109.98949	0.8
110.03635	1.1
110.07133	0.3
111.00771	0.4
111.04436	6.4
111.08049	1.0
111.09210	0.9
111.96857	3.4
112.08723	1.5
112.96700	15.1
113.05854	1.3
116.00220	1.2
123.00821	1.2
124.07520	0.5
125.02340	23.7
125.06001	2.3
125.06879	0.5
125.09593	0.4
126.02637	0.5
126.05531	0.8
126.06618	0.4
126.10197	0.4
129.65756	0.4
129.97882	4.0
130.01799	0.7
130.96288	1.6
130.97734	11.8
130.98695	0.7
135.00743	0.7
135.04413	1.5
135.08051	0.7
135.09000	0.3
135.11655	0.4
136.07602	0.8
136.08598	0.7
138.03133	0.8
139.01427	0.4
142.03831	0.3
143.03378	32.8
144.03725	1.0
148.97343	5.3
148.98595	0.7
153.01817	100.0
153.02927	10.3
153.05356	3.5
153.09090	1.4
153.10208	0.7
153.11316	2.9
153.99342	1.0
154.02153	4.0
154.03276	0.6
154.04987	1.2
154.08574	1.1
154.09708	0.7
171.02858	0.7
171.99007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.5
51.02378	5.7
53.00304	0.5
55.01868	1.1
55.05508	1.1
56.96558	0.9
57.03423	0.3
57.21711	0.4
61.65553	0.3
65.03931	1.7
67.05498	1.0
68.22076	0.3
68.96334	0.6
68.99804	0.4
69.03431	2.9
69.07071	1.1
69.40368	3.0
70.94254	9.3
70.95866	1.6
71.94099	3.3
79.01851	54.6
79.05486	0.7
79.96194	0.4
80.02187	1.5
81.07054	0.6
83.04989	0.5
83.08599	0.4
87.00829	0.9
88.95294	1.8
88.96899	0.7
89.95135	0.4
91.05463	0.7
93.03387	0.4
93.07059	1.4
95.04946	0.6
95.08598	0.9
97.02887	9.6
97.06499	0.9
106.96397	0.4
107.01310	11.4
107.04924	0.6
107.08596	1.8
109.10153	1.4
110.03658	0.4
110.07192	0.5
111.04435	3.7
111.08077	0.7
111.09242	0.4
111.96864	3.5
112.08746	0.6
112.96698	0.9
123.00777	2.4
125.02341	22.4
125.05999	1.4
126.02644	0.8
129.97900	4.3
130.96252	0.8
130.97708	0.6
135.08066	0.4
135.11719	0.9
136.07535	0.6
143.03387	47.3
144.03690	1.6
148.97311	2.4
153.01828	100.0
153.02948	13.3
153.09094	1.3
153.11307	0.6
153.12773	0.7
154.02162	3.7
154.03273	0.5
154.04970	0.5
154.09673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.7
51.02377	4.6
55.01870	0.7
55.05498	0.4
56.96561	0.6
57.07055	0.2
63.86625	0.2
65.03938	2.0
67.05494	0.7
68.96324	0.6
68.99781	0.6
69.03432	3.0
69.07069	1.0
69.62295	1.5
70.06573	0.3
70.94254	5.4
70.95879	0.5
71.04971	0.3
71.94095	3.9
72.08136	0.2
73.85697	0.2
79.01851	48.8
79.05494	1.0
80.02173	1.1
81.07054	0.5
83.04978	0.7
86.97370	0.3
87.00836	0.7
88.95302	1.7
89.95163	0.4
91.05482	0.4
93.03415	0.5
93.07039	1.6
95.01309	0.4
95.04964	0.6
95.06073	0.4
95.08617	1.5
97.02888	9.3
97.06526	1.0
98.20813	0.5
101.09849	0.2
107.01310	11.6
107.04945	0.3
107.08582	1.6
109.10141	0.8
110.07130	0.3
111.04429	2.5
111.08067	2.2
111.09138	0.4
111.96870	2.7
112.08691	0.7
112.96709	1.0
123.00766	2.1
125.02342	21.7
125.05965	1.2
125.09616	1.0
126.02662	0.8
129.97894	2.2
130.96309	0.6
130.97751	0.4
132.57329	0.2
135.04401	0.2
135.08078	0.3
135.11668	0.6
136.07605	0.3
136.08623	0.3
138.03111	0.3
143.03387	45.7
144.03748	1.3
148.97343	1.0
153.01826	100.0
153.02937	12.9
153.09055	0.6
153.11340	1.6
153.12729	1.0
154.02153	3.3
154.03275	0.5
154.04961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	Streptokordin
Peak:m/z	Relative Intensity
50.01580	0.7
51.02378	1.2
53.03934	0.8
55.01857	1.3
55.02969	1.0
55.05492	0.7
55.98969	0.2
56.05024	0.5
56.96560	3.3
57.03430	2.7
58.06607	0.3
58.99841	0.4
60.89211	0.3
60.95845	0.3
65.03936	1.8
67.04233	0.4
67.05499	1.5
68.05017	1.7
68.99775	0.8
69.03423	1.6
69.07045	0.6
70.01786	0.5
70.06577	1.4
70.76410	0.6
70.76751	0.4
70.94260	0.4
70.99843	0.4
73.02920	0.4
75.01937	0.3
76.02672	0.3
77.00874	0.8
77.02546	0.4
78.03447	0.3
78.04688	0.4
78.52946	0.4
79.01844	15.8
79.05481	9.1
80.05003	2.5
80.05780	0.3
81.00822	0.3
81.03378	0.8
81.04530	0.5
81.05801	1.6
81.07034	1.0
82.04053	1.6
82.06565	2.2
83.01315	0.3
83.04959	1.3
83.06083	0.9
84.04463	0.3
84.99261	0.3
85.02885	1.4
88.52696	0.2
89.00810	0.4
89.03916	0.4
91.02432	1.6
91.05468	0.6
92.02565	0.3
92.04984	0.8
93.03420	0.5
93.04504	0.4
93.05769	0.5
94.00923	0.3
94.06544	1.6
95.01915	0.5
95.04945	2.8
95.06062	0.7
95.07331	0.9
96.04474	1.2
96.05717	0.5
96.08111	2.4
97.02874	3.0
97.06521	0.9
97.07638	1.0
98.97558	0.6
100.02425	1.3
101.00855	0.9
102.02214	0.4
103.00634	0.4
103.02415	0.7
104.01247	0.3
105.04501	0.5
105.92681	0.2
106.06544	11.3
106.07310	0.5
107.01302	4.8
107.01942	0.5
107.03557	0.5
107.04940	14.4
107.06075	0.7
107.07359	1.4
107.08543	0.4
108.04495	0.3
108.05644	0.3
108.08105	1.2
109.02850	0.8
109.03490	0.7
109.05124	3.0
109.06512	0.5
109.07646	1.7
109.10144	0.3
110.03514	12.3
110.06024	3.7
110.07176	0.4
110.97545	0.5
111.03227	0.4
111.04427	1.9
111.05609	0.3
111.06691	0.3
111.09186	0.7
112.09900	0.3
113.05849	0.5
114.04021	0.4
115.02402	2.8
116.02486	0.3
118.03495	0.9
119.01879	3.4
120.02002	0.6
121.01670	1.9
121.03471	0.4
122.06004	1.0
122.07113	0.3
123.00769	0.8
123.04387	1.8
123.06797	1.0
124.03941	1.0
124.05205	1.7
124.07582	7.9
124.08526	0.3
125.02335	6.6
125.04659	0.4
125.05978	1.4
125.07032	0.6
127.06166	0.7
128.04538	8.4
128.98561	1.3
129.03973	0.9
131.01866	0.6
132.05081	0.3
133.01662	0.3
133.03470	3.7
134.04735	1.1
134.05997	37.8
135.03018	13.4
135.04391	6.5
135.05290	0.5
135.06487	1.1
135.08043	0.6
135.09140	0.6
136.01399	0.7
136.05197	0.6
136.07529	0.9
137.02950	1.1
138.05495	0.8
139.02701	0.3
142.03494	0.3
143.03380	12.2
145.03455	0.5
146.97423	0.9
146.99605	2.1
147.01375	1.3
147.05023	1.7
149.03734	0.5
152.05663	100.0
152.07031	46.4
152.11731	1.4
153.01849	24.9
153.02980	2.9
153.04059	43.7
153.05440	7.0
153.07445	1.6
154.02444	0.8
154.04424	0.7
157.03514	0.3
161.02956	0.4
161.14044	0.3
165.00694	0.4
165.02328	0.3
170.02969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0565
Annotation	guanine
Peak:m/z	Relative Intensity
50.16557	0.2
51.02371	0.5
53.03944	0.3
53.80761	0.2
55.01853	0.4
55.02990	0.5
56.05017	0.4
56.96553	0.9
57.03429	0.6
65.03926	0.7
67.05486	0.4
68.05009	1.0
69.03413	0.5
69.33891	0.3
69.34290	2.0
70.06582	0.6
79.01844	3.5
79.05479	2.4
80.02515	0.3
80.05002	0.8
81.05792	0.3
81.07050	0.5
82.04053	0.6
82.06553	0.8
83.04967	0.6
83.06120	0.3
84.04463	0.3
85.02901	0.3
89.90076	0.2
91.02418	0.3
91.05491	0.2
93.05780	0.3
94.06564	0.4
95.04939	0.7
95.06046	0.3
96.04485	0.3
96.08134	0.8
97.02847	1.1
97.07629	0.6
98.21516	0.5
98.74260	0.3
106.06544	3.6
107.01297	1.8
107.03571	0.3
107.04948	4.7
108.04499	0.2
108.08129	0.5
109.05107	2.4
109.07631	0.8
110.03516	10.5
110.06036	0.9
110.07129	0.3
111.04461	0.7
111.09203	0.4
115.76962	0.2
116.98644	0.2
119.01878	0.7
120.03342	0.2
121.01685	0.7
122.06094	0.3
123.00787	0.3
123.04408	0.6
124.05241	0.6
124.07595	2.6
125.02350	2.1
125.05974	0.8
127.09984	0.2
128.04553	6.7
128.05467	0.4
128.98592	1.0
131.01883	0.2
133.03424	0.7
134.04539	1.3
134.06009	6.6
134.07076	0.4
135.03023	11.7
135.04395	2.1
135.09166	0.6
136.01408	0.6
136.05161	0.4
136.07538	0.2
138.05557	0.4
143.03380	4.3
146.97438	0.4
146.99652	1.0
147.01393	0.4
147.04970	0.5
152.05675	100.0
152.07019	12.8
152.11815	0.6
153.01918	9.2
153.04056	38.9
153.05434	2.3
154.02470	1.0
154.04420	0.8
165.00676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.2
51.02364	0.7
53.03938	0.4
55.01857	0.7
55.02976	0.6
56.96554	1.5
57.03415	0.8
65.03912	0.5
67.05473	0.4
68.05009	1.0
69.03413	0.9
69.07023	0.3
70.06570	0.6
70.76467	0.8
79.01846	6.1
79.05482	3.9
80.02476	0.3
80.04992	0.8
81.01888	0.3
81.03370	0.4
81.05802	0.4
81.07021	0.4
82.04066	0.7
82.06570	1.1
83.04955	0.7
83.06068	0.5
85.02907	0.5
91.05432	0.4
92.04993	0.3
93.05773	0.2
93.07013	0.3
94.06541	1.0
95.04943	1.2
95.07337	0.5
96.04447	0.3
96.08117	0.9
97.02874	1.9
97.07644	0.6
100.02453	0.3
106.06535	4.6
106.07256	0.4
107.01295	2.6
107.03536	0.5
107.04941	7.2
107.07306	0.7
108.08099	0.8
109.02853	0.6
109.03493	0.2
109.05147	1.7
109.07617	1.0
110.03510	11.1
110.06021	1.5
110.07137	0.3
110.97575	0.3
111.04426	0.9
111.05532	0.3
111.09178	0.8
112.09980	0.3
115.02406	0.6
117.04025	0.3
118.03493	0.4
119.01865	1.4
119.02622	0.3
121.01653	0.7
123.00799	0.4
123.04404	1.1
124.03928	0.5
124.05157	0.8
124.07580	3.6
125.02337	3.1
125.05984	0.6
125.07071	0.3
128.04541	7.8
128.98569	0.7
129.03957	0.3
133.03458	0.8
134.04623	1.1
134.06000	10.0
134.06952	0.4
135.03006	13.2
135.04375	2.9
135.05267	0.4
135.06445	0.5
135.08150	0.3
135.09167	0.6
135.17216	0.2
136.01396	0.7
136.05151	0.3
136.07541	0.3
137.02940	0.5
139.02565	0.2
143.03372	6.5
146.97443	0.5
146.99663	1.2
147.01352	0.6
147.04968	0.6
152.05655	100.0
152.07018	20.7
152.11836	0.9
153.01883	13.5
153.03088	1.6
153.04051	43.8
153.05368	3.2
153.11377	0.3
154.02457	0.9
154.04425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03933	0.8
55.01863	1.3
55.05506	3.2
56.96559	3.6
57.03415	1.1
57.07057	1.1
59.04978	0.8
61.02908	0.9
65.03919	1.0
67.05495	7.9
67.66714	0.4
68.04997	0.8
69.03429	2.0
69.07067	2.4
70.64845	0.6
70.65196	1.3
71.01350	0.6
73.02899	1.0
75.10159	0.4
79.05479	5.1
80.89155	0.4
81.03407	1.0
81.07047	16.2
82.06581	0.4
82.07397	0.5
83.04955	0.8
83.06069	0.9
83.08603	0.4
85.02869	0.7
90.01505	0.7
91.04957	0.7
91.05472	8.8
92.05820	0.5
93.07040	5.7
95.04965	4.8
95.08582	4.9
95.30677	0.4
96.01553	0.4
96.08122	0.5
97.06506	1.4
97.07644	0.5
98.01288	0.7
98.97545	2.3
104.91462	0.4
105.07010	12.8
106.06516	0.5
106.07352	1.2
107.04951	0.9
107.08579	6.6
108.05714	1.3
109.06501	14.9
109.07616	0.9
109.10144	8.1
110.01270	1.4
110.07191	1.9
111.07934	5.4
116.98614	1.5
119.01746	2.4
119.04925	1.8
119.05949	0.5
121.06488	1.2
121.10149	2.2
123.04404	0.9
123.08041	5.5
123.11691	3.4
124.07564	2.6
124.08558	0.9
128.02283	2.1
128.98611	0.9
131.08572	0.9
133.10100	5.1
134.07095	0.5
136.05165	1.1
136.08807	2.3
137.02815	0.4
146.97375	0.4
146.99634	1.2
151.03886	1.6
151.05011	0.8
151.07594	6.4
151.11159	100.0
152.07027	1.6
152.08102	0.9
152.11497	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	151.0752
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03924	1.9
55.01869	3.6
55.05494	1.5
56.96558	3.4
57.03420	2.0
61.02893	0.8
65.03931	9.5
67.05498	9.1
68.05007	1.8
68.99788	0.9
69.03400	1.3
69.07039	0.9
69.95733	3.8
73.02907	0.9
77.03924	0.8
78.04707	1.0
79.05474	6.1
80.02603	1.8
80.06261	2.7
81.03400	2.2
81.07043	5.8
82.06519	0.8
83.06099	1.0
85.02881	1.3
87.48899	0.7
90.72463	0.7
91.05470	50.7
92.03343	0.7
92.05775	1.3
93.03390	2.6
93.07027	7.1
94.04177	0.7
95.04962	19.0
95.08592	5.2
97.02896	0.8
98.01250	0.7
98.20760	0.7
98.97583	1.7
103.05453	2.2
105.03349	1.1
105.04505	1.3
105.07029	5.5
106.07360	1.1
107.04943	3.5
107.08575	2.3
108.02122	0.8
108.05722	15.9
109.06513	6.3
109.10146	2.1
110.01274	1.0
110.03645	1.0
110.07187	3.7
111.04425	1.9
111.05580	0.7
111.07944	8.7
113.01745	0.7
116.98595	1.7
118.04099	1.5
119.01775	2.7
119.04085	1.4
119.04929	22.9
121.02833	2.4
121.06538	3.3
123.04415	54.6
123.08054	22.1
123.11693	1.4
124.04734	1.2
124.07569	3.1
124.08637	1.5
125.32793	0.9
128.02258	2.9
128.98558	0.8
133.06491	3.6
133.10141	1.4
134.05968	0.8
134.07056	1.2
136.05190	13.2
137.02872	0.9
137.05930	2.1
141.05469	1.1
146.99625	1.2
151.03891	9.9
151.05006	2.7
151.07526	100.0
151.09734	4.7
151.11174	4.3
152.01598	1.0
152.06952	1.7
152.08125	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	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03937	0.6
55.01855	1.1
55.05508	2.0
56.96569	1.4
57.03414	1.0
57.07055	1.2
59.04980	1.3
65.03923	1.9
67.05497	7.9
68.05012	1.0
69.03430	2.1
69.07062	2.5
70.32851	0.3
71.14579	0.4
71.14902	0.6
73.02898	0.3
77.03894	0.3
79.05479	5.5
80.06269	0.5
80.31606	0.3
81.03394	1.0
81.07044	16.6
82.07341	0.3
83.04978	0.3
83.06100	0.6
90.01543	0.4
91.05470	21.8
92.05782	0.8
93.07029	5.6
94.07833	0.3
95.04961	5.3
95.08593	4.1
97.06512	1.6
98.97569	0.7
103.05469	0.6
104.30403	0.3
104.31096	0.3
105.07019	11.3
106.07354	0.9
107.04958	1.0
107.08581	6.3
108.05743	1.9
109.06502	15.6
109.10143	10.0
110.01255	0.7
110.07088	1.3
111.07935	3.3
116.98608	0.5
117.06984	0.4
119.01784	0.8
119.04923	8.2
121.06477	1.0
121.10141	3.2
122.07205	0.3
123.04445	0.3
123.08049	6.5
123.11677	3.9
124.08598	0.6
124.81076	0.3
128.02287	0.9
128.97707	0.3
128.98613	0.6
131.08539	0.8
133.06494	0.4
133.10106	4.9
134.07104	0.4
136.05215	2.6
136.08801	2.7
137.05962	0.8
138.59134	0.3
146.99675	0.6
147.62514	0.3
151.03880	1.4
151.07562	10.2
151.11160	100.0
152.06966	0.6
152.08035	0.6
152.11519	5.6
158.96448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03939	0.9
55.01867	1.3
55.05508	1.1
56.96560	2.8
57.03447	0.8
63.55988	0.3
65.03933	4.0
67.05496	5.3
68.05026	2.0
69.03420	1.2
69.07040	0.4
70.06590	0.5
71.59434	0.5
73.02910	0.6
79.05480	5.5
80.05012	0.4
80.06256	1.9
81.03406	1.1
81.07050	5.4
83.04964	0.3
83.06090	1.2
85.02895	0.4
90.01529	0.7
91.05473	45.2
92.05796	1.1
93.07037	4.0
95.04959	8.0
95.08591	4.6
96.04516	0.5
96.05611	0.5
97.07632	0.6
98.01263	0.7
98.97579	1.3
103.05457	0.5
104.01277	0.4
105.04514	0.4
105.07021	6.0
106.06606	0.4
106.07332	0.6
107.01768	0.4
107.04951	3.7
107.07888	0.5
107.08553	2.2
108.02097	0.5
108.05727	20.8
109.06535	3.9
109.07636	0.8
109.10140	1.6
110.01276	1.4
110.07160	2.8
111.07942	7.7
113.29055	0.3
116.98619	1.0
119.01772	1.4
119.04933	20.2
120.05271	0.8
121.06483	0.7
123.04418	1.2
123.08051	4.5
123.11662	1.8
124.07558	0.5
124.08690	1.3
125.07140	0.3
128.02324	1.5
128.98564	0.5
133.06482	1.2
133.10103	1.5
134.06012	0.6
134.07115	1.0
134.99637	0.9
136.05179	27.2
137.06026	2.6
141.05461	0.4
146.97450	0.7
146.99667	0.7
151.04004	4.1
151.07527	100.0
151.09709	3.4
151.11153	8.4
152.01610	0.5
152.06802	0.5
152.08002	3.6
152.11739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.8
55.01854	3.6
56.96558	100.0
57.03431	18.4
57.05995	0.8
60.71135	0.8
60.95841	0.9
61.02917	16.0
67.05473	1.9
67.93553	2.0
68.00259	1.5
68.02621	1.6
68.05009	0.9
68.45316	1.4
68.93562	4.9
68.94332	1.9
68.95282	4.9
68.96304	2.3
69.03082	0.8
69.03428	11.4
69.44621	5.7
69.45023	1.2
69.93390	1.4
71.01355	2.0
71.04955	1.4
71.95257	3.0
73.02909	22.7
74.00244	1.4
74.97594	5.8
75.01023	1.7
77.00755	4.5
79.05505	1.2
81.01032	2.5
81.03405	5.2
81.07050	2.1
82.01814	1.6
83.00779	8.8
83.04975	1.1
84.01550	2.5
84.96030	4.0
85.02896	20.0
86.01258	1.8
86.03206	1.1
86.03683	1.8
86.51817	1.8
87.00997	3.1
88.51553	1.8
89.00768	10.0
89.78587	0.8
90.01547	12.6
91.02340	1.8
91.05463	1.0
92.01278	8.3
92.51838	1.0
94.51548	2.9
95.00752	3.5
95.04957	2.3
95.08594	1.8
96.01546	12.3
97.00503	2.5
97.02284	1.3
97.02878	10.6
97.96787	2.9
97.99153	5.6
98.01286	20.9
98.02525	0.8
98.97572	51.8
99.02055	6.7
99.04436	1.9
100.51544	2.3
101.00740	7.5
101.52316	4.8
102.53056	1.1
102.97032	1.1
103.03889	1.2
103.52085	2.3
104.01278	9.8
105.02051	7.5
105.07001	1.4
106.01030	2.4
106.51506	1.4
107.01806	12.6
107.47623	2.4
107.52298	2.4
109.02867	3.8
109.52080	4.1
110.01263	39.4
110.51431	3.3
110.52855	1.3
110.97559	11.7
111.02036	3.4
111.07935	1.7
112.99081	1.3
113.01779	2.7
115.01460	0.9
115.52055	3.3
115.97789	1.9
116.00207	3.5
116.01213	1.1
116.02330	1.4
116.03043	1.3
116.48125	3.6
116.52798	2.1
116.98611	35.3
117.02019	1.1
117.98823	1.1
118.52601	1.4
118.94301	1.3
119.01785	58.6
119.51966	3.2
120.02600	7.1
121.02800	0.9
121.52048	10.1
122.52845	1.1
123.04446	1.6
123.08038	1.7
124.52556	0.8
125.48595	1.7
126.02555	1.7
127.03909	4.9
127.97204	1.3
128.02299	63.2
128.52473	4.4
128.98590	23.7
129.03082	5.2
130.52557	12.5
131.00150	2.1
133.02815	0.9
133.98863	1.3
134.01228	0.9
134.05934	0.9
134.99640	20.5
137.02811	16.9
137.53004	1.4
138.03668	1.1
139.53110	11.7
140.00160	5.1
140.03250	1.3
140.98553	2.4
141.95042	1.6
142.03374	1.2
142.96785	2.4
143.00122	1.4
143.96588	2.0
144.98102	1.7
146.97380	2.4
146.99632	27.4
147.97462	1.0
148.53610	3.8
151.03860	2.5
151.07542	1.0
151.09569	3.0
151.11105	1.6
151.97302	0.9
152.00209	1.7
152.01498	1.0
152.07033	2.1
153.00656	1.7
158.01256	5.5
158.99644	5.1
161.01225	2.3
162.99164	1.8
165.00734	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	150.0773
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
50.91228	0.2
56.05004	0.4
57.04551	0.6
60.33723	0.2
62.04833	0.3
63.77675	0.2
66.42905	0.2
67.05486	0.3
71.19025	0.2
71.19352	0.4
72.79749	0.2
72.93075	0.2
73.22763	0.2
79.05483	0.2
82.04045	0.5
85.02956	0.2
85.81834	0.2
88.07611	0.2
91.05395	0.3
94.04047	1.1
94.06553	0.9
96.61162	0.2
105.07009	0.4
106.04025	0.3
106.06524	0.3
108.05621	0.5
109.05121	3.8
112.05110	0.3
115.02420	0.3
119.01884	0.3
119.03535	0.5
122.06008	0.8
123.06657	0.6
133.03503	0.2
133.05086	4.8
135.05420	0.4
137.04550	0.3
141.73074	0.2
145.03441	0.5
148.06207	0.2
150.07733	100.0
151.08179	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	150.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01853	0.4
56.05029	6.8
56.96553	1.0
57.03416	0.8
57.04537	0.4
61.00883	0.3
61.01146	4.5
65.03918	0.6
66.04264	0.5
67.05494	1.3
69.03413	0.5
69.07042	0.4
69.96808	0.6
69.97231	0.6
70.06578	0.4
71.04939	0.2
71.94122	0.2
72.93766	0.7
74.02428	0.7
74.06054	0.7
79.05474	0.7
80.05003	0.3
81.03407	0.5
81.07032	0.8
82.04063	0.4
84.04480	0.5
85.02908	0.3
87.02684	1.2
87.07222	0.2
88.07625	0.6
90.94808	0.8
91.05487	1.2
92.05814	0.3
93.05782	1.2
93.07051	0.4
94.04057	0.8
94.06551	1.1
95.04969	1.1
95.08590	0.8
96.04479	0.3
97.02908	0.3
98.67478	0.2
100.02470	0.9
102.05520	1.7
103.05453	0.5
104.05305	4.1
104.07088	0.4
105.07016	9.2
106.04018	0.4
106.06559	0.4
106.07322	0.2
107.08544	0.5
108.04439	0.3
108.05602	0.5
108.95845	0.5
109.02866	0.3
109.05114	2.7
109.06532	0.4
109.10052	0.2
110.01235	0.6
111.03133	0.2
112.05063	0.4
115.02444	0.5
116.98630	0.3
118.03500	0.6
119.01837	0.8
119.03534	0.7
119.04879	0.4
121.02862	0.3
122.03175	1.6
122.05991	1.6
123.04409	0.7
123.06643	0.6
123.08044	0.6
128.02190	0.3
132.04356	0.3
132.05322	0.2
132.06544	0.6
132.10150	0.3
133.03212	2.8
133.05070	4.5
133.06508	0.4
135.05386	0.6
135.06802	0.3
137.04590	0.6
144.99812	0.5
145.03448	1.5
149.97185	0.6
150.02689	4.7
150.05600	2.7
150.07730	100.0
150.96817	0.4
151.03897	1.2
151.04936	0.3
151.06297	0.4
151.08070	1.7
151.11177	0.6
163.04477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
51.02371	0.6
53.03941	4.9
53.63400	0.4
54.03459	0.8
55.01864	3.3
55.05511	1.0
56.01399	0.8
56.05028	2.1
56.96560	9.0
57.03425	1.6
58.06919	0.4
59.50166	0.4
61.02925	0.5
65.03929	6.3
66.03452	0.4
66.04269	2.1
67.05499	34.7
68.05019	2.8
68.05832	0.5
68.29798	0.4
68.94374	0.5
69.03431	1.4
69.04544	0.8
69.05795	0.6
69.07054	0.5
70.06553	0.7
70.35101	1.5
72.93789	4.2
73.02919	1.4
73.03979	0.5
74.02438	5.1
74.97623	0.4
75.03192	0.5
75.05610	0.7
76.04002	1.0
76.22296	0.5
77.03929	0.5
79.05487	6.5
80.05019	1.9
81.03418	3.3
81.04529	0.9
81.07053	1.4
82.06577	2.8
82.51546	0.4
83.06097	1.1
84.04512	0.5
84.08138	2.0
84.15182	0.4
85.02896	1.2
86.06037	0.5
87.04470	0.4
87.05569	0.5
88.03983	0.7
90.01587	0.5
90.90376	2.7
90.94816	3.0
91.05478	3.0
91.52097	0.8
91.59545	0.4
92.04993	0.9
93.05785	3.1
93.07024	0.8
94.06560	86.3
95.04960	6.9
95.06049	2.3
95.06893	1.9
95.08600	1.3
96.04490	1.9
96.06866	0.5
96.08117	1.0
97.02876	0.8
97.07641	0.9
98.01282	0.9
98.97591	1.4
102.01918	1.2
103.05490	0.8
104.04996	0.7
104.05843	0.5
104.07108	0.7
105.03394	0.5
105.04539	0.6
105.07022	22.5
106.06548	23.2
106.07316	1.1
107.04965	0.5
107.06103	0.9
107.06783	0.5
107.08574	1.2
108.04483	1.5
108.05667	0.6
108.06897	0.7
108.95859	1.8
109.02861	0.5
109.05232	0.4
109.06515	0.9
109.07635	8.7
109.10170	0.4
110.01286	1.7
110.06039	0.8
110.07159	1.1
110.08411	12.1
110.97598	0.4
111.04409	0.6
111.07944	1.3
112.04831	0.6
114.05542	0.6
116.00231	0.5
116.98627	1.4
119.01781	1.6
119.04908	0.9
121.06454	0.5
122.03192	3.7
122.06020	48.6
123.04410	1.7
123.05540	1.1
123.06383	1.5
123.08045	1.9
123.09187	6.2
124.03962	0.5
124.05016	0.5
124.07619	0.5
124.08662	0.4
127.01489	0.6
128.02299	1.9
129.53604	1.0
132.04425	1.0
132.05397	0.5
132.06563	1.6
132.95799	0.6
133.06612	0.6
133.07602	3.9
134.99660	1.2
137.02821	1.2
138.54123	1.8
144.98198	0.5
145.03441	0.9
146.99652	0.7
147.54663	0.6
148.03906	1.3
149.94028	1.1
149.97189	1.0
150.02785	9.1
150.05490	100.0
150.07698	5.6
150.09099	4.9
150.10249	14.5
150.12794	0.6
150.96873	1.6
151.02913	1.0
151.03987	2.6
151.05881	3.7
151.07494	2.1
151.08640	1.7
151.09763	0.9
151.11092	1.1
164.02292	1.4
168.06554	24.0
169.06946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
52.11013	0.9
53.03945	5.0
55.01857	4.5
55.05507	10.2
55.85950	1.0
56.96552	3.3
61.74586	0.9
65.03936	56.6
66.04259	2.0
66.99843	0.9
67.05495	6.7
69.03428	1.3
69.07061	14.8
69.60795	0.9
70.84753	1.4
70.85090	2.0
79.05487	25.8
80.04992	1.2
81.04523	2.3
81.07052	29.7
82.07381	1.1
83.08625	1.4
89.03889	2.0
91.05475	29.1
93.03394	13.9
93.07035	75.9
94.07392	2.9
95.04961	10.1
95.06045	1.4
95.08613	5.7
98.03671	2.6
101.58128	0.9
103.05444	7.1
105.03395	1.1
105.04498	1.5
105.06370	1.8
105.07021	19.9
105.64410	1.0
106.04156	2.1
107.04955	2.4
107.08585	51.0
108.04433	1.2
108.08907	1.3
109.06496	4.1
109.07657	1.9
110.08376	1.7
111.03934	1.4
111.04471	13.7
111.94419	1.0
116.06231	2.0
119.08588	2.4
121.02861	59.6
121.03960	11.3
121.06480	6.7
121.10130	29.3
122.03180	4.2
122.06006	1.2
122.07118	4.0
123.08107	1.5
131.02371	1.1
131.04921	4.5
131.08568	2.4
149.02338	100.0
149.05949	5.8
149.07045	1.3
149.08258	3.6
149.09615	11.8
149.13242	25.4
150.02669	6.2
150.03751	1.7
150.05481	3.2
150.06573	1.3
150.07809	1.2
150.09081	2.6
150.10191	2.5
167.03372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03941	3.0
55.01873	1.4
55.05508	6.6
56.96570	1.9
57.07066	4.1
65.03938	17.7
66.04244	0.8
67.05494	2.0
68.83564	0.8
69.03436	1.1
69.07059	5.4
71.17621	2.0
76.39524	0.7
77.03922	0.9
78.04709	1.9
79.05482	16.2
81.03379	0.7
81.07047	4.0
91.05472	24.8
92.05768	0.8
93.03387	4.2
93.07032	22.7
95.04957	6.2
95.08602	1.6
98.03703	0.9
103.05461	6.7
105.04604	0.8
105.07023	45.2
106.04168	3.7
106.07253	1.0
106.07866	1.6
107.04959	1.4
107.08584	42.1
108.08888	1.3
109.06523	2.9
111.04452	4.7
115.05423	0.9
119.06045	1.4
119.08568	13.1
120.09313	2.5
121.02857	17.7
121.03966	4.6
121.06509	5.0
121.10133	100.0
122.10437	5.1
123.08060	9.5
131.04889	0.9
131.08591	1.0
133.07642	2.2
133.10117	3.1
134.03615	1.0
134.10875	3.6
149.02330	29.8
149.05989	2.5
149.08344	1.3
149.09599	13.5
149.13251	13.8
150.02666	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03936	2.9
55.01873	1.6
55.05515	6.0
56.96568	1.1
57.07059	4.3
65.03939	36.7
66.04269	2.1
67.05501	2.2
69.03427	0.9
69.07065	6.0
71.39715	1.7
72.93419	0.9
79.05487	18.9
80.54027	0.9
81.07030	4.2
91.05473	23.2
93.03410	9.5
93.06457	1.9
93.07037	28.2
95.04977	5.3
98.03690	1.6
103.05476	6.1
105.04552	1.1
105.07027	51.4
106.07284	1.1
106.07875	1.9
107.07438	1.6
107.08588	37.1
108.08865	1.2
109.06525	4.4
111.03820	0.9
111.04455	9.1
112.24123	0.9
119.08569	12.9
120.09383	1.8
121.02857	39.9
121.03967	8.1
121.06495	3.6
121.10136	100.0
122.03291	1.3
122.05811	1.1
122.10479	3.8
123.08062	8.2
129.06953	1.2
131.08525	1.3
133.07611	4.0
133.10129	2.5
134.10889	3.0
149.02338	66.5
149.08401	1.6
149.09613	25.3
149.13251	11.7
150.02673	3.9
167.03389	1.6
167.19255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03920	2.0
55.01852	1.7
55.05500	4.0
56.96554	1.7
57.07045	3.0
65.03932	17.3
66.06834	0.7
66.92623	0.8
67.05470	2.1
67.93544	0.7
69.07056	5.3
71.17136	1.9
71.23742	0.7
79.05051	1.5
79.05480	15.4
81.07018	2.5
83.46995	0.9
91.05470	21.0
92.05784	1.3
93.03380	3.5
93.06468	1.1
93.07036	20.6
94.06495	0.8
94.90642	0.7
95.04960	5.0
95.08575	1.7
103.05457	6.6
105.07018	46.6
106.07269	1.1
106.07881	1.0
107.08579	41.4
108.08871	1.6
109.06496	3.5
109.07617	0.8
110.08416	1.1
111.04415	2.8
119.08565	13.3
120.09364	2.6
121.02850	17.8
121.03960	3.8
121.06509	2.7
121.10126	100.0
122.03197	1.2
122.05961	1.1
122.07081	1.5
122.10439	3.9
123.08056	7.8
131.04941	3.7
131.08565	0.8
133.07588	2.7
133.10126	1.9
134.10896	3.5
149.02330	28.3
149.03383	1.3
149.05943	1.9
149.08441	1.3
149.09587	7.6
149.13235	11.9
150.02664	1.9
150.05537	2.1
150.10179	2.1
154.58911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03934	2.2
55.05511	4.3
55.85863	0.9
57.02978	0.7
57.07069	4.0
65.03938	8.1
67.05496	1.5
69.07060	6.1
69.51776	2.6
69.52214	2.8
79.05487	16.1
80.35960	0.7
81.07053	1.5
91.05475	20.8
91.26468	0.5
93.03407	1.8
93.07037	20.4
94.07350	0.8
95.04970	3.8
95.08585	1.8
98.21467	1.5
103.05478	4.2
105.07024	44.1
106.07271	0.9
106.07856	1.4
107.08585	39.9
108.08902	2.3
109.06487	4.3
111.04420	1.4
116.06219	1.0
119.06069	1.0
119.08580	13.1
120.09379	1.4
121.02856	7.3
121.03957	2.4
121.06533	1.9
121.10133	100.0
122.07155	1.3
122.10448	5.4
123.08056	10.0
133.07581	3.4
133.10124	3.1
134.10931	3.6
149.02335	14.6
149.05968	1.9
149.09610	8.3
149.13232	12.9
149.14325	0.8
150.02650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03929	4.8
55.01847	3.4
55.05505	12.9
56.96555	6.0
57.03429	1.2
59.19220	1.0
65.03930	63.1
66.04260	2.3
67.05492	33.3
67.93561	1.7
69.07056	22.2
70.93545	1.9
75.18521	1.0
79.05480	56.0
80.05798	1.9
81.03405	1.3
81.07045	88.8
82.07366	3.4
83.08609	5.2
86.02923	1.7
91.05463	26.4
92.05781	1.3
93.03395	13.6
93.07028	89.3
94.07358	3.2
95.04933	7.9
95.08588	16.1
97.53710	1.4
98.03645	3.7
103.05427	4.1
105.04495	1.6
105.07020	14.6
107.04923	2.2
107.08576	69.4
108.08884	2.5
108.52489	1.0
109.06478	2.8
111.04433	14.8
119.00237	1.0
119.08566	2.5
121.02850	57.7
121.03953	14.2
121.06501	2.5
121.10124	23.5
122.03181	3.6
122.07114	1.4
126.05524	1.5
131.04947	1.3
131.08563	1.4
149.02324	100.0
149.05972	2.9
149.08266	2.2
149.09595	7.5
149.13240	37.6
150.02625	7.3
150.05513	3.2
150.07724	1.5
150.09087	2.3
163.03978	1.6
167.03366	2.2
169.53790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.66597	0.7
53.03944	3.2
53.04163	0.6
55.01855	2.5
55.05505	3.1
56.96553	3.6
65.03934	55.8
66.04256	3.0
67.05491	3.4
67.93558	1.5
69.07065	1.4
71.59818	1.3
79.05483	22.1
80.05819	0.9
80.73996	0.7
81.07052	7.2
91.05470	24.0
92.05803	1.7
92.98555	0.7
93.02870	1.2
93.03396	11.9
93.05772	1.4
93.07031	40.0
94.07373	1.7
95.04955	7.4
95.08520	0.8
97.02326	1.1
98.03658	3.0
103.05451	7.4
105.03413	0.7
105.04512	1.3
105.07018	31.3
106.07870	3.2
107.04955	1.7
107.08573	6.0
108.04454	1.1
109.06467	1.3
111.01875	0.7
111.04448	15.0
115.05425	1.3
116.06232	3.0
119.08564	5.2
121.02855	61.6
121.03956	14.4
121.06494	3.8
121.10134	19.6
121.11024	1.2
122.03187	3.1
122.04294	0.7
122.07150	1.1
122.10472	1.4
123.08054	3.6
129.07077	0.8
130.10074	0.6
131.04930	1.8
131.08528	1.8
131.76025	0.8
133.07549	0.9
134.07297	1.1
141.96925	1.0
149.02328	100.0
149.05975	2.0
149.09598	76.7
149.13223	2.0
150.02658	7.0
150.03716	1.3
150.05479	1.6
150.08911	1.1
150.10081	4.4
167.03355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02365	1.6
53.03939	3.8
55.01853	4.6
55.05495	4.1
56.18605	1.0
56.96569	1.6
63.49934	1.3
65.03595	2.2
65.03934	35.4
67.05489	1.8
67.06645	1.4
68.65794	1.1
70.57893	1.1
70.58221	3.9
79.05481	21.8
81.07055	2.9
91.05469	29.9
93.03404	7.3
93.07034	42.6
95.04961	9.0
98.03666	1.6
103.05459	10.7
105.04489	2.3
105.07021	38.2
106.07795	4.0
107.04960	1.5
107.08576	4.6
109.06498	1.7
109.07619	3.4
110.08403	3.6
111.04428	8.4
115.05453	1.2
116.06205	4.2
118.66462	1.1
119.08579	6.1
121.02847	34.1
121.03956	7.2
121.06461	8.8
121.10128	22.8
121.10916	2.1
122.03206	2.4
122.05970	1.7
122.07111	3.7
123.08073	3.4
129.06984	1.7
131.04916	3.7
131.08530	2.1
133.07559	1.4
149.02335	65.1
149.05952	3.0
149.09598	100.0
150.02647	4.0
150.05438	2.9
150.10091	7.7
154.53253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03934	7.2
53.97297	1.7
55.01858	2.9
55.05491	4.0
60.80522	1.8
65.03936	20.3
69.03415	6.0
69.54662	14.3
79.05487	28.8
81.04494	1.7
81.07050	2.4
84.52682	1.8
89.24458	1.6
91.05475	77.5
92.05776	3.4
93.07034	35.8
95.04953	8.1
103.05466	11.3
105.04533	1.7
105.07024	55.3
106.07820	4.9
107.04940	4.5
107.08588	4.4
109.06509	5.4
110.08410	3.2
111.04427	2.4
115.04153	1.7
115.05495	11.1
116.06233	32.3
119.08557	7.6
121.02859	16.1
121.04068	3.6
121.06492	21.6
121.09305	3.1
121.10139	44.0
122.10442	2.4
123.08053	10.0
128.06200	2.8
129.07016	9.5
131.04926	2.8
131.08571	28.6
133.07556	3.3
134.07275	7.6
147.08026	5.1
149.02321	26.2
149.09610	100.0
150.02596	2.8
150.10031	8.4
169.80576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02374	0.9
52.30799	0.8
53.03940	6.4
55.01869	4.7
55.05491	3.0
56.96555	1.7
65.03604	1.9
65.03933	34.0
66.04252	1.4
67.05487	1.7
69.03422	7.2
70.91254	3.0
77.03901	1.3
79.05480	29.0
80.05022	1.1
81.03396	1.3
81.04539	1.4
81.07040	3.8
83.04967	0.9
91.05467	89.2
92.05804	3.2
93.03367	7.7
93.05798	1.3
93.07026	39.4
94.07371	1.5
95.04962	12.1
98.03636	2.7
103.05451	15.4
105.04507	1.7
105.07013	64.0
106.04137	1.3
106.07880	5.2
107.04916	3.1
107.08582	5.4
108.05651	1.1
109.06501	10.0
109.07630	2.1
110.08390	2.7
111.04435	8.6
115.05439	12.6
116.06224	37.0
116.57790	1.0
117.06531	1.8
119.08566	11.5
119.16723	1.1
121.01978	2.0
121.02849	34.6
121.03955	7.2
121.06483	26.6
121.10123	47.1
122.03178	2.2
122.06087	0.9
122.07132	3.9
122.10451	2.7
123.08028	10.4
128.06187	2.5
129.06992	11.9
131.04898	4.4
131.08551	33.4
131.09518	2.1
132.08847	1.9
133.06467	3.4
133.07591	3.2
134.07239	7.7
147.08067	5.7
149.02324	57.6
149.05978	5.5
149.09599	100.0
150.02667	4.4
150.05438	1.8
150.06544	1.1
150.07701	1.3
150.08911	1.4
150.10072	6.3
167.03374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02367	1.0
51.24928	0.8
53.03944	4.3
54.34018	0.8
55.01858	3.5
55.05499	4.0
56.96564	5.1
57.03414	0.8
57.63094	0.9
62.50985	0.8
65.03938	53.5
66.04273	2.3
67.05494	3.1
67.93535	1.0
70.00782	2.0
70.01202	2.6
77.03931	1.1
79.05489	24.4
81.07049	6.0
91.05479	35.2
92.05824	1.3
93.03398	11.8
93.07041	46.7
94.06603	1.1
94.07372	1.6
94.96688	0.8
95.04968	9.1
98.03661	3.1
103.05469	10.0
105.03403	1.1
105.04498	1.9
105.07030	43.6
106.07880	5.1
107.04934	2.5
107.08611	4.8
108.04484	1.1
109.06555	1.1
110.40802	0.8
111.03808	1.8
111.04446	13.9
115.05457	2.1
116.06207	4.1
119.00222	0.9
119.08593	6.4
121.02862	58.3
121.03969	12.8
121.06522	3.4
121.10137	26.0
122.03198	2.7
122.06025	1.5
122.10478	1.9
123.08093	4.1
126.05515	1.1
131.04970	2.2
131.08568	2.7
149.02339	89.0
149.03339	3.1
149.05972	2.3
149.09612	100.0
150.02654	6.7
150.05481	1.8
150.10063	4.7
163.03899	2.1
167.03406	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.8
53.03944	4.5
55.01873	3.5
55.05502	3.5
56.05851	0.7
56.96561	4.9
65.03938	64.5
66.04263	1.8
67.05498	5.3
67.93565	2.3
69.03424	1.0
69.07057	2.1
69.87029	1.9
69.87436	2.3
79.05495	10.0
81.07050	8.9
83.04983	1.6
83.08607	1.8
91.05479	66.2
92.05816	2.7
93.03395	14.5
93.07042	25.2
94.07405	0.8
95.04969	8.9
95.08593	2.0
98.03668	3.8
98.20828	1.4
103.05480	6.2
105.03403	2.3
105.04488	1.5
105.07029	9.6
106.04181	1.1
106.06538	1.0
107.04973	1.2
107.08591	8.4
108.04485	1.3
109.06512	19.1
111.03818	0.8
111.04453	15.0
118.03566	0.8
119.00186	1.5
119.06037	4.7
119.08540	1.1
121.02863	61.9
121.03970	16.1
121.06502	2.5
121.10130	7.4
122.03202	3.0
122.06023	0.9
123.08044	0.9
126.05525	1.0
131.04932	3.1
131.08516	0.9
145.00841	0.8
148.60431	0.7
149.02342	100.0
149.05984	9.5
149.07074	1.8
149.08362	1.3
149.09612	13.4
149.13231	5.1
150.02696	6.4
150.05476	1.2
150.09081	1.6
150.11214	0.7
167.03378	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03941	4.2
54.75703	0.8
55.01851	2.6
55.05488	3.1
56.31363	0.9
56.96550	3.3
64.68526	1.0
65.03934	38.0
67.05477	1.5
67.93536	0.8
68.90782	0.7
70.15912	2.6
70.49218	0.9
77.12709	1.1
79.05486	33.2
80.05791	1.5
81.03388	1.0
81.07046	5.6
91.05470	31.9
92.05779	1.3
93.03395	8.8
93.07033	54.2
94.07384	2.3
95.04961	11.4
95.08582	1.0
96.02711	1.0
103.05458	9.9
105.04486	1.8
105.07020	45.8
106.07861	6.3
107.04900	2.2
107.08578	4.4
108.04485	1.4
111.04442	9.5
115.05359	1.0
116.06210	4.0
116.54836	1.1
119.08581	7.6
121.02851	38.0
121.03951	8.6
121.06479	1.9
121.10125	31.5
122.03215	1.5
122.10435	2.0
123.08034	4.6
129.06964	1.3
131.04924	1.9
131.08556	1.6
133.07571	1.9
133.70952	1.1
136.25073	1.0
138.75821	1.0
145.64110	1.0
149.02333	59.9
149.03337	2.1
149.05969	2.7
149.09602	100.0
150.02681	5.0
150.05516	1.0
150.07909	1.0
150.08905	1.4
150.10033	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	148.0602
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
51.02380	0.6
53.03938	1.2
55.01853	2.1
55.05480	0.8
56.04817	0.8
56.05036	8.0
56.96551	1.6
57.07071	1.5
58.06596	3.3
60.04517	1.2
62.20735	0.7
65.03936	32.5
67.05489	1.3
69.03440	1.2
70.06577	1.8
70.64673	2.3
72.08154	3.9
74.02434	8.8
74.06087	1.7
79.05479	2.4
81.07098	0.7
84.04496	100.0
84.08128	9.1
85.02899	3.0
85.04818	3.4
85.06540	3.1
86.06041	0.8
91.05471	2.8
92.04986	5.4
92.05810	3.2
93.03397	7.7
93.07034	2.9
95.04955	3.3
96.37675	0.7
98.03671	1.3
98.20998	1.4
102.05533	14.1
102.09172	7.3
103.05450	2.9
105.07044	3.2
106.06548	2.7
107.04964	1.2
111.04429	9.2
113.05979	1.0
120.04471	7.1
120.05274	1.8
120.08104	1.8
120.08897	1.1
121.02867	36.5
121.03955	6.8
121.06499	2.2
130.02899	3.6
130.04077	1.4
130.04999	6.5
130.06517	10.5
130.08659	1.9
131.04980	1.4
131.06810	0.8
141.28984	0.7
148.03880	18.1
148.05983	1.2
148.07544	4.1
148.09698	2.7
149.02332	61.9
149.05991	2.8
149.09607	1.8
167.03404	1.8
169.03311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0603
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
53.03955	0.7
55.01855	0.6
56.05031	7.5
58.06580	1.1
60.04523	1.0
62.25133	0.4
65.03598	0.7
65.03931	10.3
67.05504	0.7
72.08138	0.7
73.98994	0.4
74.02428	1.7
74.06072	1.4
77.46252	0.4
79.05494	0.6
84.04494	100.0
84.08134	3.3
85.02914	2.6
85.04821	4.7
85.06544	0.9
86.06030	0.5
88.03968	0.7
88.07600	0.4
88.42246	0.5
91.05463	1.4
92.04976	0.9
92.05801	1.7
93.03410	2.8
93.07033	0.5
95.04975	0.8
98.03699	0.6
102.05530	15.7
102.09186	2.8
103.05437	0.9
105.07020	1.3
106.06583	0.7
111.04405	2.9
113.24123	0.4
118.00069	0.4
120.04447	2.0
120.05303	1.6
120.08105	0.8
121.02863	10.8
121.03972	3.1
121.06477	0.5
121.10087	0.5
122.04822	0.5
130.05002	8.5
130.06502	4.2
130.08640	0.4
146.30574	0.4
148.03847	4.0
148.04926	0.6
148.06021	1.2
148.07590	1.1
148.09633	2.8
149.02327	22.7
149.06004	1.0
149.09622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03942	2.1
55.01853	2.6
55.05507	8.2
61.71820	0.9
64.92796	2.9
64.95528	1.2
65.03946	8.0
67.05500	4.8
69.03416	2.2
69.07063	2.5
69.72754	5.3
79.05494	9.9
80.05830	1.1
81.07025	1.8
83.06909	1.0
84.04507	3.9
84.08146	1.4
91.05476	82.5
92.04991	1.5
92.05817	5.2
93.07042	4.2
95.04966	3.3
98.20779	2.1
103.05479	6.3
104.90848	0.9
105.07025	100.0
106.06544	1.1
106.07365	4.0
107.04951	1.8
107.08572	2.8
117.07001	11.2
118.07870	1.1
119.04937	42.0
119.08573	86.0
120.04436	3.7
120.05312	3.2
120.08151	1.6
120.08924	5.0
123.96468	3.8
128.06186	1.2
129.07016	2.5
130.06532	6.8
130.07431	1.0
130.07877	1.0
131.08591	1.5
132.05725	1.6
132.09381	2.6
145.10139	6.6
146.10490	1.0
147.04401	24.1
147.05536	6.5
147.06541	1.2
147.08040	7.5
147.11685	38.9
148.03920	7.2
148.04933	1.7
148.07533	3.5
148.08669	2.7
148.12007	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	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03940	2.1
53.47399	0.7
55.05255	1.1
55.05506	12.5
56.96552	2.2
57.03415	0.8
64.92788	2.4
64.95545	0.9
65.03940	9.8
67.05504	7.8
69.03410	1.7
69.07071	4.7
77.17197	1.1
79.05495	10.4
81.07047	4.4
84.04505	2.0
91.05472	100.0
92.04974	2.1
92.05820	4.5
93.07033	6.8
95.04949	3.5
103.05476	5.1
105.07023	96.8
106.06623	1.3
106.07340	3.0
107.08586	2.0
117.07007	14.2
118.07772	2.5
119.04940	34.1
119.08569	82.6
120.04437	2.7
120.05231	1.8
120.08119	1.6
120.08848	4.5
123.96452	3.0
129.06990	1.9
130.02916	1.5
130.06525	5.5
130.07434	1.1
131.08504	1.1
132.05711	1.2
132.09314	2.7
133.08806	1.1
133.46419	0.9
145.10104	6.5
147.03221	1.1
147.04391	20.3
147.05511	5.1
147.08063	4.1
147.11673	40.0
148.03937	2.9
148.07556	2.1
148.08604	1.0
148.12004	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.47399	0.7
55.05255	1.1
55.05506	12.5
56.96552	2.2
57.03415	0.8
64.92788	2.4
64.95545	0.9
65.03940	9.8
67.05504	7.8
69.03410	1.7
69.07071	4.7
77.17197	1.1
79.05495	10.4
81.07047	4.4
84.04505	2.0
91.05472	100.0
92.04974	2.1
92.05820	4.5
93.07033	6.8
95.04949	3.5
103.05476	5.1
105.07023	96.8
106.06623	1.3
106.07340	3.0
107.08586	2.0
117.07007	14.2
118.07772	2.5
119.04940	34.1
119.08569	82.6
120.04437	2.7
120.05231	1.8
120.08119	1.6
120.08848	4.5
123.96452	3.0
129.06990	1.9
130.02916	1.5
130.06525	5.5
130.07434	1.1
131.08504	1.1
132.05711	1.2
132.09314	2.7
133.08806	1.1
133.46419	0.9
145.10104	6.5
147.03221	1.1
147.04391	20.3
147.05511	5.1
147.08063	4.1
147.11673	40.0
148.03937	2.9
148.07556	2.1
148.08604	1.0
148.12004	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	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
55.01878	0.4
55.05493	0.3
56.05029	5.0
57.03426	0.4
58.06590	1.3
59.05004	0.4
59.06105	0.5
59.07379	0.4
60.04523	0.3
60.05653	0.3
60.08142	0.3
61.02894	0.4
65.03922	0.4
67.05499	0.4
69.03405	0.5
70.06588	2.3
71.04990	0.6
71.08232	0.4
71.08531	0.4
72.08154	1.8
73.02904	0.6
73.08484	0.5
74.02431	0.6
76.07635	0.3
76.57745	0.3
83.06892	0.4
84.04497	100.0
84.08134	9.7
84.08514	0.2
85.02897	2.2
85.04833	1.7
85.06538	1.1
86.06042	0.4
87.04462	1.2
87.06413	0.8
88.03996	1.2
88.04774	1.8
88.07625	1.1
91.05477	3.4
96.02433	0.5
97.02867	0.4
99.04473	0.2
100.07602	0.5
101.01737	0.5
101.07141	1.5
101.07890	0.3
102.02414	0.4
102.05531	7.8
102.09162	2.1
106.08643	0.3
108.02415	0.3
111.02901	0.3
113.02496	0.2
119.01934	1.2
119.04932	2.4
119.08598	0.3
120.04440	0.5
129.10251	0.3
130.04993	19.5
130.06541	0.6
130.08641	2.3
131.01900	0.6
131.05328	0.6
136.58060	0.2
137.02942	0.4
143.01892	0.3
147.04401	1.8
147.05492	0.5
147.06627	0.4
147.07764	0.3
147.09445	0.5
147.11266	0.6
148.03938	0.7
148.06107	0.4
148.09666	2.6
150.92465	0.2
157.05777	0.3
161.02975	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01862	1.3
55.05502	7.9
56.96579	1.1
60.37294	0.7
64.40916	0.8
64.92791	1.4
65.03938	9.6
67.05497	3.8
69.03426	1.7
69.07050	2.0
71.60051	1.0
75.84480	0.8
79.05489	7.3
80.05000	1.1
81.07047	4.0
81.20692	0.8
84.04500	2.1
91.05476	100.0
92.05003	1.7
92.05807	5.5
93.07047	3.6
95.04982	3.4
103.05473	4.5
105.03393	2.0
105.07024	53.1
106.06609	1.3
106.07365	3.3
107.04911	1.1
107.08600	2.7
117.07005	7.5
118.07837	1.2
119.04938	56.3
119.06835	1.7
119.08574	49.3
120.04464	4.2
120.05318	4.0
120.08134	2.1
120.08923	4.0
123.96464	2.6
129.07025	2.0
130.02847	0.9
130.06503	5.5
130.62842	0.8
131.08572	1.7
132.05711	1.1
132.09323	1.7
145.10153	2.8
147.04424	28.0
147.05528	4.1
147.06813	1.5
147.08015	9.4
147.09106	1.3
147.11694	23.9
148.03839	6.2
148.04951	1.6
148.07545	1.6
148.08661	1.8
148.12030	1.3
154.66246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03933	11.9
66.04269	0.5
70.27971	1.4
80.13745	0.4
83.07613	0.4
91.05473	100.0
92.05788	4.3
95.04949	0.8
98.20808	0.5
119.04929	86.5
120.05261	4.2
131.38771	0.3
147.04396	30.7
148.04762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50862	0.5
60.42818	0.5
65.03930	12.0
69.90349	2.4
91.05467	100.0
92.05797	4.1
92.59048	0.5
93.03882	0.5
95.04918	0.5
119.04924	95.0
120.05273	3.6
122.96407	0.5
147.04388	34.3
148.04747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05493	0.3
56.05029	5.0
57.03426	0.4
58.06590	1.3
59.05004	0.4
59.06105	0.5
59.07379	0.4
60.04523	0.3
60.05653	0.3
60.08142	0.3
61.02894	0.4
65.03922	0.4
67.05499	0.4
69.03405	0.5
70.06588	2.3
71.04990	0.6
71.08232	0.4
71.08531	0.4
72.08154	1.8
73.02904	0.6
73.08484	0.5
74.02431	0.6
76.07635	0.3
76.57745	0.3
83.06892	0.4
84.04497	100.0
84.08134	9.7
84.08514	0.2
85.02897	2.2
85.04833	1.7
85.06538	1.1
86.06042	0.4
87.04462	1.2
87.06413	0.8
88.03996	1.2
88.04774	1.8
88.07625	1.1
91.05477	3.4
96.02433	0.5
97.02867	0.4
99.04473	0.2
100.07602	0.5
101.01737	0.5
101.07141	1.5
101.07890	0.3
102.02414	0.4
102.05531	7.8
102.09162	2.1
106.08643	0.3
108.02415	0.3
111.02901	0.3
113.02496	0.2
119.01934	1.2
119.04932	2.4
119.08598	0.3
120.04440	0.5
129.10251	0.3
130.04993	19.5
130.06541	0.6
130.08641	2.3
131.01900	0.6
131.05328	0.6
136.58060	0.2
137.02942	0.4
143.01892	0.3
147.04401	1.8
147.05492	0.5
147.06627	0.4
147.07764	0.3
147.09445	0.5
147.11266	0.6
148.03938	0.7
148.06107	0.4
148.09666	2.6
150.92465	0.2
157.05777	0.3
161.02975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
59.84904	0.4
65.03936	11.6
68.43339	0.4
69.84858	1.6
69.85269	1.0
72.68517	0.4
73.62367	0.4
91.05471	100.0
92.05811	4.0
98.20722	0.6
119.04929	88.8
120.05258	4.0
147.04393	29.1
148.04727	1.5
148.98854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01623	0.6
54.61695	0.7
65.03932	10.0
67.41914	0.8
69.26198	3.3
69.26626	5.3
91.05470	100.0
92.05801	2.9
95.04941	1.1
100.83601	0.7
113.37667	0.8
119.04926	92.7
120.05255	4.7
147.04391	29.9
148.04741	1.9
160.52919	0.7
167.01898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03938	1.0
55.01859	0.6
55.05503	1.2
56.96562	1.1
64.92805	1.2
65.03935	11.3
67.05515	0.7
69.03401	1.0
70.74132	1.4
70.74488	0.7
77.47221	0.5
79.05489	1.3
80.27944	0.5
84.13538	0.5
91.05476	100.0
92.05024	0.5
92.05322	0.4
92.05790	3.3
93.07053	0.6
95.04974	0.8
103.05474	1.1
105.04531	0.6
105.07026	10.8
107.08593	0.6
117.07017	2.1
119.04938	88.5
119.08577	11.7
120.04495	1.1
120.05234	4.0
123.96438	1.2
128.62616	0.5
129.07047	0.8
130.06520	1.1
130.07864	0.6
132.09380	0.7
145.10129	1.5
147.04411	30.5
147.05498	2.3
147.08064	1.4
147.11684	6.7
148.03784	1.0
148.04845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01868	1.2
55.05502	0.4
56.05027	0.5
56.42609	0.2
57.03434	1.5
58.06591	0.4
59.06122	1.0
60.99606	0.3
62.00409	0.3
62.92966	0.3
65.47765	0.2
67.05475	0.2
69.03425	1.3
70.06575	0.7
70.08454	0.5
70.08844	0.5
71.01344	0.4
71.04985	7.3
71.94093	0.3
72.08154	0.6
73.02909	0.2
74.02441	0.2
74.06080	0.3
77.00914	0.3
79.00656	0.6
79.01808	0.3
79.05478	0.3
81.03405	2.4
82.06564	1.4
84.04505	0.3
84.08128	0.4
84.99607	0.5
85.02448	0.3
85.02895	1.8
85.04013	1.8
85.07662	0.6
86.06062	0.7
86.08441	0.3
87.04449	0.3
91.05474	0.6
95.04960	0.2
95.48675	0.2
97.00813	0.3
97.02864	0.6
97.07585	0.3
98.20724	0.2
99.04445	14.7
99.25430	0.2
100.02476	1.8
100.04735	0.4
100.07588	0.5
101.00869	1.0
101.02427	0.3
102.00993	0.2
102.02208	0.2
103.00617	6.1
103.01236	0.3
103.02438	0.4
103.99313	0.8
104.07083	0.2
104.49161	0.4
105.07014	0.4
106.99432	0.2
109.40213	0.2
110.06012	0.6
110.07877	0.2
115.03936	0.2
115.05438	0.5
115.50070	0.2
115.99939	0.4
117.06977	0.4
117.57380	0.2
118.03509	2.1
118.06519	0.7
119.01914	15.6
120.02005	3.7
120.03201	1.2
121.01655	100.0
121.82375	0.2
121.96622	0.8
122.01163	0.4
122.01946	2.6
123.02091	0.5
127.03912	2.4
127.08720	0.3
128.07068	0.4
130.07697	0.2
130.52740	0.4
131.02704	0.2
131.51651	0.5
134.07454	0.2
135.03186	0.5
135.04967	0.2
136.04605	0.2
137.02948	10.6
138.03030	2.6
138.04262	0.8
139.02684	72.7
139.03592	3.1
140.02126	0.3
140.03046	2.0
140.52100	0.8
141.03090	0.6
141.05075	1.1
142.03511	2.7
143.03535	0.5
143.08693	0.2
144.03221	4.2
145.03519	2.0
145.04953	1.4
145.09668	1.5
146.03539	0.2
146.05974	0.8
146.08101	0.2
153.01807	0.7
153.04152	0.3
159.06117	1.2
160.04543	1.7
162.04300	1.8
162.06248	0.2
163.02672	0.2
163.03539	0.2
163.04489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0806
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03939	1.8
55.01868	1.4
56.05029	0.5
56.96547	0.4
57.03428	1.8
58.06570	0.4
59.06117	0.9
60.04510	0.4
61.02917	0.5
62.92980	0.3
63.87799	0.3
69.03426	3.1
70.06577	1.0
71.01331	0.5
71.04981	4.0
72.04507	0.3
81.03419	1.6
83.01339	0.3
84.04490	0.9
85.02898	8.4
85.04006	0.3
85.07662	0.6
85.24602	0.2
86.06008	0.3
89.03933	0.5
91.05473	3.8
95.04939	0.5
97.02879	2.0
98.06045	0.7
98.21394	1.0
99.04442	9.6
99.05463	0.4
101.07142	0.5
102.70966	0.4
103.05464	2.7
104.04996	0.4
109.02870	0.5
109.07649	0.7
111.07907	0.3
115.05441	8.1
115.06255	0.4
116.04996	0.4
116.06290	0.4
117.03341	0.4
117.05800	3.0
117.07005	22.2
118.06538	0.7
118.07339	1.1
120.97925	0.3
121.96642	0.7
126.05519	0.4
127.03928	2.3
127.05410	0.9
128.04953	1.8
128.06219	0.6
129.05716	0.4
129.45419	0.3
130.49318	0.3
130.99899	0.3
138.98901	0.6
139.01797	0.9
142.06488	0.6
143.07288	18.5
144.03772	1.3
144.08066	100.0
145.04898	1.3
145.06494	5.7
145.08395	5.2
146.05965	1.1
155.06030	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	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.45614	0.2
53.03938	0.6
65.03941	1.5
67.05492	1.1
69.38662	0.2
70.11955	0.5
70.12349	0.4
77.79919	0.2
78.03433	0.4
79.04254	0.5
80.05030	0.2
92.04996	3.6
93.05789	1.4
94.06561	22.9
95.06882	0.6
96.04488	3.7
98.21445	0.2
98.83998	0.2
110.06037	19.9
111.06342	0.4
121.06488	0.4
132.91647	0.2
138.05493	100.0
139.04987	0.2
139.05864	3.2
154.05009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72705	2.0
55.37742	2.2
70.76214	5.4
79.16178	2.3
88.77479	2.0
95.71373	2.5
100.02480	2.6
101.00873	15.3
118.03507	11.1
119.01905	100.0
120.02037	4.0
136.04547	10.9
137.02956	40.5
142.03510	17.1
160.04550	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	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01862	3.0
55.05501	2.0
56.05030	4.2
56.96560	1.6
57.03438	2.2
57.05334	0.4
58.02956	1.7
58.06594	8.9
58.99857	2.9
59.04997	1.2
59.07355	0.5
59.93111	0.4
60.04514	1.7
61.02929	1.1
67.01877	0.4
67.05487	0.7
68.05019	3.8
68.99858	0.4
69.03423	8.9
69.03772	0.4
69.07056	0.7
70.06586	5.9
70.99854	1.7
71.01347	0.7
71.04952	0.6
71.58246	0.6
72.08153	3.3
73.02910	1.2
74.06062	1.0
77.00897	6.0
80.04990	0.8
81.01940	0.4
81.03434	0.7
81.04532	7.6
81.07040	0.7
82.06564	2.1
83.01321	1.4
83.06091	1.2
83.08604	0.4
84.04050	0.5
84.04492	2.3
84.08130	8.1
85.02893	6.5
85.06535	0.8
85.07665	0.6
85.08465	0.5
86.06066	3.8
86.09689	2.0
86.52715	0.5
87.04456	0.5
88.02705	0.5
88.07629	1.8
89.00885	1.7
94.06572	0.6
95.01934	4.1
95.06076	4.7
96.08130	1.6
97.02889	6.9
97.06554	0.4
97.07643	8.1
97.08323	0.5
98.06050	8.9
98.09680	4.0
99.05619	0.5
100.02483	1.0
100.07594	3.8
101.00862	11.5
101.02335	0.5
101.07146	0.6
102.00964	1.1
102.02406	1.2
102.05521	0.7
102.09205	0.6
103.02382	0.6
108.08095	0.8
111.00832	0.8
111.02916	0.8
111.05544	0.5
113.02390	0.4
113.10741	1.4
114.09156	4.6
115.03909	0.6
116.07063	2.5
116.98613	0.6
117.07049	0.4
118.03499	1.6
118.96752	0.8
119.01906	100.0
120.01969	7.5
120.03273	0.5
121.03484	0.9
122.53696	0.8
124.02472	0.6
125.02340	8.2
125.07100	4.3
125.10736	1.0
126.05477	0.7
126.09116	2.2
131.01898	1.2
133.03455	1.4
134.99661	0.4
137.02942	37.5
138.03011	3.1
138.98901	0.5
139.01807	0.7
142.03484	5.1
143.01991	2.3
143.03377	67.7
143.08133	6.8
143.11768	4.4
144.03778	2.1
144.04749	0.5
144.06537	6.2
144.08105	1.7
144.10185	17.7
144.11270	0.6
160.04578	1.8
161.02936	6.6
162.03160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03927	4.3
53.08209	1.0
54.03460	2.4
55.01862	2.1
55.05513	7.5
55.93504	2.9
56.03762	1.9
56.05016	1.0
56.96539	3.1
57.07072	8.9
65.03945	7.1
66.04723	5.1
67.05499	47.0
68.05008	4.0
68.05801	1.9
69.03409	3.0
69.04523	2.8
69.07060	9.9
69.87037	4.8
72.04496	3.7
77.03901	1.2
79.05486	17.4
80.05042	1.2
81.03402	4.7
81.04535	4.1
81.07053	86.8
82.06575	4.6
82.07379	3.2
83.06101	2.2
85.34322	1.0
91.05477	16.6
92.04984	3.1
93.04508	1.6
93.05738	1.3
93.07031	12.3
94.04185	34.3
94.06084	1.2
94.06559	11.1
94.07374	1.0
95.04446	1.7
95.04993	8.9
95.06087	2.4
95.08601	100.0
96.04481	4.1
96.05627	3.6
96.06342	1.2
96.08929	4.2
97.06387	14.9
97.07655	2.7
98.04774	3.8
103.05462	1.3
105.03230	1.1
107.04945	6.9
107.08574	2.0
108.04534	1.0
109.02856	1.8
109.06522	9.1
109.07640	1.8
109.08488	1.1
109.10151	18.0
110.06046	15.3
110.07163	12.4
111.04457	1.0
111.05543	3.8
119.06876	1.1
119.08584	6.4
120.04464	3.6
120.05604	1.7
121.02843	1.2
121.06483	4.0
121.07587	2.3
122.03645	40.8
122.07280	29.1
123.03960	2.5
123.06804	1.2
123.07618	1.5
126.11211	1.1
135.08070	1.0
137.02486	7.6
137.03368	2.0
137.05965	69.6
137.08072	5.7
137.09619	30.2
137.10571	0.7
137.13237	8.9
138.01791	2.1
138.04419	2.4
138.05481	39.5
138.06520	9.7
138.09186	4.9
138.09990	5.3
144.27249	1.1
146.96101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03936	1.6
65.03916	1.0
67.05497	28.3
69.07064	1.2
69.78249	2.6
69.78658	3.4
79.05484	4.2
81.07043	8.0
91.05479	12.1
93.07030	2.8
93.41866	1.0
94.04173	2.7
94.07800	1.6
95.04935	4.3
95.08590	6.4
97.06385	1.5
97.78046	1.0
103.05432	2.0
104.77504	0.9
107.04946	24.6
107.08593	1.3
108.05280	1.3
109.10143	34.2
110.07119	1.2
110.97408	0.9
117.06999	2.1
119.08572	17.0
121.06502	10.7
122.03626	4.9
122.07275	100.0
123.07609	3.0
128.02621	0.8
130.26949	0.8
135.08023	3.4
137.06006	4.9
137.09602	83.4
138.05461	1.8
138.09964	2.5
142.58286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03944	1.4
55.01867	0.7
55.05504	2.1
65.03937	1.6
66.04718	0.6
67.05499	27.2
68.05836	0.6
69.03429	1.9
69.07069	1.7
71.60313	0.2
77.03931	0.6
78.04702	0.4
79.05484	4.3
80.06275	0.3
81.06572	0.3
81.07050	8.0
91.05473	13.3
92.05807	0.7
93.07031	4.3
94.04186	3.3
94.07806	1.8
95.04403	0.2
95.04963	4.2
95.08605	5.0
97.06403	0.3
100.40598	0.3
103.05452	2.4
104.06242	1.5
105.04513	0.5
105.07000	0.4
107.04946	27.4
107.08562	1.7
108.05239	0.5
109.06503	1.1
109.10149	31.2
110.07211	0.2
110.10480	1.1
115.05446	0.5
117.07014	2.6
119.08572	16.1
120.08893	1.0
121.06503	9.1
122.03669	4.5
122.07277	100.0
123.07613	4.1
133.76895	0.3
135.08043	3.9
137.05988	6.2
137.09604	77.0
138.05428	0.3
138.06352	0.3
138.09955	3.3
139.07535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05507	1.9
67.05496	26.8
69.03436	1.3
69.07063	0.9
69.39798	6.9
79.05496	3.2
81.07048	8.1
91.05473	11.7
93.07026	4.3
94.04170	2.0
94.07794	1.0
95.04962	3.2
95.08609	5.5
103.05451	1.1
104.06227	1.0
107.04938	26.3
107.08575	1.3
108.05294	1.3
109.06503	1.2
109.10143	33.8
109.49023	0.7
110.07120	0.8
110.10492	0.9
117.07004	1.4
119.08562	14.2
121.06497	9.1
122.03661	1.5
122.07271	100.0
123.07615	4.1
135.08051	3.9
137.05977	3.0
137.09598	77.1
138.09932	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.80339	0.3
51.02382	0.6
53.03946	1.5
54.03468	0.3
55.01867	0.9
55.05486	0.5
56.03757	0.5
56.96572	0.7
57.07060	0.3
65.03925	2.2
66.04716	7.5
66.05064	0.5
67.05497	1.9
69.03442	0.3
69.34563	3.5
70.37882	0.3
77.03911	0.5
79.05486	5.1
81.03415	0.6
81.04537	0.9
81.07044	4.7
82.06593	0.4
91.05478	5.7
93.03478	0.5
93.07018	0.5
93.35126	0.3
94.04180	53.3
94.06541	1.2
95.04497	1.4
95.05028	1.9
95.08593	2.7
96.04459	0.3
97.06403	2.0
98.04838	0.3
98.20647	0.6
105.03374	0.7
105.04481	0.4
107.04965	1.9
109.06482	1.6
109.10155	0.9
110.06030	0.9
110.07146	1.1
111.05551	0.3
119.04935	0.3
119.08605	0.3
122.03640	69.9
122.07220	1.7
123.03967	2.8
123.45013	0.4
135.04393	0.8
137.05966	100.0
137.09489	1.8
138.05457	2.9
138.06346	4.6
148.68834	0.4
155.04266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
56.67034	0.9
65.03930	1.7
66.04720	6.8
70.12189	5.7
79.05490	2.6
81.07056	1.8
85.31608	1.2
91.05462	4.3
94.04187	48.3
95.04998	1.6
105.03340	1.2
107.05010	1.1
109.06481	1.5
114.04317	1.3
122.03645	71.4
123.03938	1.4
137.05972	100.0
138.06335	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	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.20628	0.5
53.03925	1.4
54.33184	0.5
55.05491	2.0
65.03918	1.0
67.05494	26.8
69.03411	1.7
69.07053	1.5
69.08028	0.5
70.71586	1.7
77.03910	0.8
79.05486	3.0
81.07043	7.2
86.54913	0.5
91.05467	10.9
93.07043	3.7
94.07813	1.8
95.04954	3.8
95.08591	5.2
103.05450	1.9
104.06231	1.3
105.04443	0.8
107.04940	24.3
107.08547	1.4
109.06542	0.8
109.10137	30.6
110.10504	0.5
117.07011	2.7
119.08561	17.1
121.06491	8.7
122.07265	100.0
123.07616	2.6
135.08006	3.9
137.09595	83.4
138.09923	2.2
139.07454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.60802	0.5
53.03939	1.6
54.03466	0.4
55.01851	0.9
55.05506	0.9
65.03942	2.1
66.03481	0.4
66.04715	7.1
67.05491	7.6
68.05034	0.7
69.03433	0.4
69.04535	0.5
69.07082	0.7
69.36871	4.0
72.04539	0.4
77.03913	1.0
79.05488	5.9
80.04999	0.4
81.03417	0.6
81.04541	1.8
81.07046	6.2
82.06550	0.8
91.05477	7.1
92.05813	0.7
93.07023	0.8
94.04176	49.4
94.06559	1.4
95.04453	0.9
95.04996	2.4
95.06103	0.5
95.08586	3.7
96.04486	0.5
96.05602	0.9
97.06392	3.1
105.03398	0.9
107.04932	3.1
109.06513	2.6
109.10143	4.3
110.06039	2.0
110.07181	2.4
111.05547	1.2
119.04929	0.6
119.08570	1.1
120.05597	0.5
121.06519	0.4
121.07595	0.5
122.03635	67.5
122.07222	3.3
123.03967	2.2
135.04457	0.6
137.02419	1.5
137.05962	100.0
137.09575	4.6
137.13216	0.4
138.05466	6.3
138.06377	4.3
138.10175	1.0
138.77602	0.4
147.26547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	1.4
53.03941	6.1
54.03476	0.7
55.01866	6.6
55.03269	0.5
55.05520	1.0
65.03934	4.0
66.04718	8.3
67.05503	7.4
68.05029	0.9
68.99776	1.2
69.03445	1.0
69.04560	1.1
69.07065	0.9
69.51974	4.0
70.37856	0.5
71.01357	1.8
71.69004	0.4
72.04520	0.9
77.03910	0.6
77.05801	0.5
79.05485	7.1
80.05025	0.6
81.03410	27.2
81.04543	1.7
81.07047	7.8
82.03784	0.9
82.06580	1.0
91.05473	8.0
92.04974	0.7
92.05836	0.7
93.07037	1.6
94.04181	53.7
94.06545	2.7
95.01336	0.6
95.04006	0.5
95.04497	1.9
95.05021	3.4
95.06105	0.7
95.08595	4.7
96.04508	0.8
96.05631	0.7
97.06398	3.9
97.07687	0.5
98.04763	1.0
105.03378	1.0
105.04524	0.7
107.01293	3.2
107.04945	4.6
109.02866	6.5
109.06532	2.9
109.07720	0.7
109.10143	4.9
110.06029	3.3
110.07159	3.0
110.07844	0.6
111.05553	1.5
119.04907	1.1
119.08619	2.5
120.04464	0.8
121.06524	1.3
122.03638	71.8
122.07260	11.4
123.03942	3.1
125.02332	0.6
127.03902	13.0
128.04292	0.9
135.08076	0.8
137.02336	44.6
137.03456	22.8
137.05962	100.0
137.08173	2.2
137.09584	10.8
138.02644	2.8
138.03726	1.1
138.05472	11.8
138.06395	5.8
138.09114	2.5
138.10077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01612	0.2
51.02381	0.7
53.03942	1.2
55.01871	0.8
55.93522	0.3
56.96572	0.3
65.03931	2.2
66.04721	8.4
67.05138	0.3
67.05506	1.3
67.95290	0.2
69.03433	0.5
71.42245	0.4
77.03932	0.8
79.05489	5.4
80.05832	0.2
81.03402	0.2
81.07053	3.0
90.05727	0.2
91.05479	4.5
92.05806	0.3
93.03397	0.2
94.04183	58.4
95.04400	1.3
95.05029	2.3
95.08589	0.6
98.04103	0.2
105.03385	0.7
105.04510	0.5
107.04957	2.4
109.06498	1.5
109.10155	0.6
110.06050	0.3
111.04435	0.3
119.05002	0.3
120.04520	0.2
122.03644	75.2
122.07255	1.1
123.03983	2.9
135.04410	0.8
137.05971	100.0
137.09445	1.3
138.05464	0.7
138.06348	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03946	1.6
54.03453	1.1
55.01864	1.4
55.03003	0.4
55.05510	1.3
56.05016	0.5
65.03931	2.3
66.04712	7.5
67.05492	8.7
68.05016	0.8
69.03416	0.8
69.04543	1.0
69.41988	1.6
69.42410	2.1
70.02943	0.5
72.04518	0.6
77.03919	1.3
79.05484	8.0
81.03409	1.1
81.04522	3.3
81.07043	7.1
82.06575	0.9
83.06102	1.1
91.05466	9.3
93.03402	0.6
93.04505	0.5
93.07050	2.1
94.04172	51.9
94.06544	2.2
95.04517	0.6
95.04980	6.0
95.06110	1.2
95.08604	3.5
96.04486	0.8
96.05612	1.5
97.06391	6.0
97.07645	1.0
97.65993	0.5
98.04788	1.6
99.20668	0.4
105.03371	0.7
105.04505	0.5
106.41956	0.4
107.04933	5.2
107.08582	0.7
109.06503	5.9
109.10141	4.8
109.15820	0.4
110.06030	2.0
110.07153	5.1
111.05567	1.6
119.04906	0.4
119.08553	1.3
120.05563	1.4
121.02862	0.9
121.06477	1.0
121.07607	0.8
122.03632	72.9
122.07259	9.9
123.03957	2.2
127.07555	0.4
130.94328	0.4
135.04367	0.9
137.02539	2.2
137.05957	100.0
137.09590	11.6
138.01758	0.4
138.05458	8.9
138.06395	4.7
138.09085	0.6
138.10130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
58.35517	0.1
67.02970	0.5
70.29973	0.3
70.33811	0.1
72.34541	0.1
82.04064	0.1
91.05464	0.7
92.02480	0.5
94.04046	3.4
98.21075	0.2
109.05110	0.7
112.05050	0.5
119.03540	8.4
119.04906	0.2
120.03892	0.2
131.01990	0.1
136.06174	100.0
137.04582	7.3
137.06616	2.4
138.04990	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	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54559	0.3
65.03925	0.3
66.33289	0.3
67.02972	0.5
68.05009	0.4
71.32756	0.6
80.05032	0.3
81.04516	0.6
91.05487	0.9
92.02499	0.5
93.06973	0.3
94.04044	4.8
105.21587	0.3
109.05127	0.6
109.07640	0.5
112.05077	0.5
119.03548	11.3
136.02177	3.0
136.06180	100.0
137.04597	7.8
137.06689	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	4.7
55.01848	1.1
55.05505	6.1
56.05801	0.8
57.07049	2.1
61.62244	0.8
65.03928	3.6
67.05492	2.7
68.04990	1.2
69.07052	2.1
70.84917	2.3
77.03918	1.1
79.05489	22.9
81.07054	2.0
91.05472	60.7
92.05756	1.7
92.06292	1.5
93.07035	54.4
94.07374	2.1
95.04963	11.3
95.08582	1.1
103.05433	1.1
104.06247	1.6
105.04518	2.0
105.07023	29.9
106.07816	1.8
107.04942	1.5
107.08584	100.0
108.08925	4.2
109.06503	12.5
115.05435	4.0
117.04794	1.0
117.07005	4.0
119.06028	3.6
119.08574	23.1
120.09419	7.9
125.96122	1.0
133.10130	1.1
134.07043	0.9
135.04425	1.2
135.08026	5.3
135.11678	34.7
136.02142	7.5
136.06155	4.0
136.07504	0.8
136.08601	0.9
137.09618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	6.4
55.01864	1.9
55.05307	1.0
55.05511	10.6
65.03921	2.4
67.05496	4.2
68.05030	1.6
69.03407	1.8
69.07053	2.8
71.59158	2.0
79.05486	24.0
80.05004	3.7
80.05830	1.7
81.07033	3.8
91.05475	59.6
92.05765	1.7
92.06287	2.1
93.05810	5.9
93.07039	45.0
94.06571	2.1
94.07826	1.6
95.04961	13.6
102.55736	1.1
105.04491	3.2
105.07022	31.1
107.04927	5.1
107.08586	100.0
108.04486	1.4
108.08192	1.8
108.08932	4.4
109.01084	5.0
109.06494	14.0
111.46952	1.1
115.05437	3.2
117.06988	3.1
118.06512	2.6
119.03520	3.3
119.06061	3.4
119.08585	13.1
120.09334	4.4
133.10106	1.5
135.04399	7.7
135.05510	4.1
135.06604	3.3
135.08041	8.7
135.11685	19.3
136.02155	52.9
136.03882	3.6
136.05156	1.4
136.06171	33.8
136.07553	12.0
136.11221	1.8
137.04604	3.4
137.09554	1.1
146.40800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	5.8
54.03449	0.6
54.33040	0.6
55.01873	1.4
55.05507	8.8
57.07059	0.7
57.84498	0.6
59.06113	0.6
60.04508	0.6
65.03944	4.2
67.05499	4.1
68.05020	5.1
69.03426	0.8
69.07072	2.1
69.39267	5.2
75.05616	0.7
77.03912	1.6
79.05489	27.4
80.05017	1.5
80.05824	0.7
81.04520	0.9
81.07057	2.8
87.05589	1.2
91.05476	70.7
91.57354	0.7
92.05802	1.9
93.05788	1.8
93.07037	46.4
94.04059	1.1
94.06570	0.7
94.07333	1.0
94.07861	0.9
95.04965	13.5
95.06084	4.1
95.08605	1.2
96.06871	4.3
103.05462	1.8
104.06255	1.1
105.04505	2.8
105.07025	36.3
106.07289	1.1
107.04939	4.7
107.08588	100.0
108.04448	1.3
108.05555	0.8
108.08126	1.8
108.08935	3.4
109.01093	0.8
109.06519	13.5
109.07634	5.4
110.06818	0.9
111.04416	0.9
115.05435	2.5
117.07016	4.0
118.06550	0.8
119.03602	0.7
119.06068	5.1
119.08573	20.4
120.09389	7.0
124.05220	1.0
133.10155	1.5
135.04407	7.9
135.05530	5.5
135.06577	1.4
135.08054	8.6
135.11684	25.1
136.02151	13.8
136.03903	1.3
136.05116	1.3
136.06177	8.5
136.07559	4.0
136.08665	4.9
136.12061	1.1
137.04539	0.6
137.09569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03932	4.8
55.05516	8.8
59.32883	1.9
65.03930	5.3
67.05504	2.9
68.05017	2.0
69.07046	3.3
69.55146	15.5
71.23135	1.6
79.05484	24.1
81.07034	2.5
88.33579	1.9
91.05474	69.0
92.05811	4.3
93.07038	50.7
95.04945	13.5
98.21472	3.8
105.04523	1.9
105.07019	31.2
107.04922	2.7
107.08588	100.0
109.06522	12.7
109.07637	2.5
115.05474	4.5
117.07021	6.0
119.06033	6.1
119.08573	22.4
120.09332	5.7
120.34431	1.9
135.04349	2.9
135.08057	17.0
135.11684	31.2
135.90202	2.2
136.02167	8.1
136.03938	2.0
136.06190	5.3
136.07597	3.1
142.10921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03936	1.3
55.05504	2.7
55.59412	0.3
65.03940	0.6
67.05485	0.9
70.77816	1.1
77.03913	0.4
79.05486	7.7
85.57870	0.4
91.05473	25.1
92.05794	0.9
93.07031	6.4
95.04960	3.4
103.05459	4.9
105.07019	59.7
106.07353	3.0
107.08582	1.5
115.05441	8.3
116.06229	1.2
117.07006	10.6
118.07794	10.5
119.08117	1.1
129.06973	0.8
131.08559	7.6
133.10115	100.0
134.10440	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.61084	0.6
51.02369	0.9
53.03938	6.1
54.03461	1.3
55.01868	1.0
55.05505	9.7
56.96558	2.4
57.07067	1.3
65.03925	3.8
67.05490	3.9
68.05016	4.0
69.07060	3.1
71.17645	1.5
73.00352	0.6
77.03905	0.9
78.04699	1.1
79.05482	27.8
80.05008	1.6
81.03390	1.0
81.04572	0.7
81.07026	3.7
82.06581	0.9
82.62904	0.6
87.05578	1.1
91.05469	71.1
92.04963	1.1
92.05780	1.4
92.06269	0.8
92.60107	0.7
93.05781	2.4
93.07030	51.0
94.06580	1.0
94.07333	1.2
94.07858	0.8
95.04960	13.8
95.06078	2.4
95.08588	0.8
96.06880	3.4
103.05466	2.5
104.06215	0.9
105.04504	2.3
105.07018	33.7
106.07254	0.7
106.07891	1.1
107.02611	0.6
107.04955	5.0
107.08582	100.0
108.04451	0.6
108.08173	1.5
108.08911	3.8
109.01124	1.3
109.06508	13.0
109.07612	3.7
115.05445	1.3
117.07020	3.6
118.06515	1.4
119.06069	5.1
119.08567	22.0
120.09407	6.3
124.05209	0.6
133.10112	2.0
135.04395	3.4
135.05447	1.4
135.06509	0.9
135.08069	6.3
135.10667	1.3
135.11673	23.3
136.02155	12.1
136.03899	1.1
136.05078	1.4
136.06155	6.3
136.07539	7.1
136.08661	5.0
136.12056	1.2
137.09579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05499	3.1
65.03934	0.6
66.58807	0.5
67.05523	0.7
69.71035	4.4
74.42400	0.6
74.60261	0.5
79.05488	7.8
91.05471	20.4
92.05779	0.7
93.07028	5.4
95.04953	2.5
103.05467	4.2
103.29206	0.8
105.07019	58.1
106.07360	2.1
107.08578	1.1
113.23251	0.6
115.05436	7.4
116.06198	2.0
117.07004	9.8
118.07801	9.0
119.08122	0.7
131.08565	7.6
133.06483	2.1
133.10115	100.0
134.10458	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03930	1.4
53.50406	0.6
55.05494	2.5
63.58834	0.6
67.05499	0.8
69.71095	3.8
75.12179	0.5
75.72655	0.6
79.05479	8.4
83.50945	0.6
91.05473	24.1
93.07033	5.0
95.04960	2.3
103.05464	5.8
105.07020	56.4
106.07349	2.7
107.08556	1.9
115.05440	7.2
115.74709	0.6
116.06242	1.3
116.43880	0.6
117.07023	10.5
118.07158	0.7
118.07810	9.0
131.08566	7.5
133.10118	100.0
134.10455	4.9
148.42442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03941	1.2
55.01844	0.3
55.05507	2.9
56.71888	0.2
65.03932	0.6
67.05499	0.9
70.93127	0.4
70.93479	0.2
71.80206	0.2
77.03928	0.6
79.05486	9.7
80.05827	0.2
81.46555	0.2
90.83495	0.2
91.05473	25.2
92.05795	0.6
92.06298	0.3
92.90032	0.2
93.07033	6.0
94.07357	0.3
95.04959	3.1
102.03055	0.2
103.05458	5.2
104.06312	0.4
105.07021	60.2
106.07343	2.2
107.08582	1.8
115.05444	9.1
116.06310	1.5
116.97578	0.2
117.07009	11.8
118.07801	10.2
118.08669	0.2
119.08107	0.3
129.07013	0.8
131.08560	8.3
132.08885	0.3
133.06589	1.7
133.10118	100.0
134.07034	0.2
134.10449	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02385	0.4
53.03941	2.0
55.01857	0.9
55.05507	3.4
56.18449	0.3
56.96556	1.2
57.03407	0.4
57.90616	0.3
58.20278	0.3
65.03926	0.8
67.05492	1.3
69.43327	0.3
74.02467	0.3
77.03912	0.7
78.03477	0.3
79.05485	11.2
90.04674	0.3
91.05473	25.8
92.05798	1.1
92.90040	0.4
93.07037	6.1
95.04954	3.6
103.05460	7.4
105.03422	0.7
105.07021	100.0
106.06557	0.9
106.07336	4.7
107.04937	0.3
107.06090	0.5
107.08583	0.9
112.02109	0.3
115.05447	5.3
116.06245	0.7
117.07017	5.7
118.04152	2.0
118.06522	0.4
118.07808	4.8
119.01776	0.4
123.07964	0.4
129.06985	0.5
131.04932	0.7
131.08557	7.8
132.08879	0.7
133.02869	0.5
133.06485	21.2
133.07523	0.8
133.10117	40.8
134.05986	1.9
134.06964	1.4
134.09575	0.5
134.10460	2.2
147.36017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
53.03946	4.1
55.01867	3.4
55.05499	1.3
56.96527	0.6
58.05338	1.0
65.03925	1.0
67.83525	0.4
70.85014	0.5
70.85334	0.7
72.32794	0.4
74.02459	0.5
77.03929	1.6
79.05488	21.3
80.05815	0.5
91.05473	8.8
92.90085	0.8
93.07028	1.6
94.04147	0.5
95.04962	7.8
103.05464	12.2
105.03374	1.8
105.04514	1.9
105.07024	100.0
106.06615	0.9
106.07355	3.4
107.04944	1.6
107.39737	0.5
115.05456	6.5
117.07003	2.0
118.04161	2.2
118.07811	1.8
131.04913	1.7
131.08560	2.5
133.02843	1.9
133.06487	68.5
133.10107	17.3
134.05992	1.3
134.06955	2.5
143.05948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03938	2.4
53.39466	0.3
55.01863	3.0
55.05506	1.7
56.05012	0.5
56.96555	1.5
57.03429	0.4
58.05325	1.0
65.03926	0.4
67.05476	0.8
71.59199	0.6
73.02887	0.3
74.02438	0.6
74.06065	0.3
74.27213	0.3
77.03910	1.1
79.05484	17.2
80.04997	0.3
80.05784	0.4
82.01793	0.3
84.01343	0.3
85.04032	0.8
87.05567	0.7
88.02243	0.4
90.04682	0.5
91.05470	12.0
92.05814	0.5
92.90067	0.8
93.07025	2.3
94.04172	0.3
95.04948	4.3
103.05449	10.6
104.05797	0.6
105.03391	1.3
105.07015	100.0
106.06556	1.2
106.07346	3.4
107.04969	1.0
107.06078	0.5
107.08609	0.3
115.05449	6.4
116.06250	0.7
117.07015	2.7
118.04164	1.5
118.07800	2.3
121.94653	0.3
130.98175	0.3
131.04900	1.1
131.08560	3.4
133.02840	1.0
133.06476	57.9
133.10107	25.8
134.05965	1.3
134.06941	2.6
134.09550	0.5
134.10475	1.0
143.06029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.01859	0.5
56.51379	0.3
58.06597	27.7
59.06919	0.6
59.07378	12.4
60.08162	10.8
60.78016	0.3
69.07049	1.3
73.02914	9.7
74.06072	0.5
86.09703	6.5
89.09428	0.3
116.07118	0.4
126.90224	0.3
132.10197	100.0
133.10544	3.5
142.35789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02368	0.7
53.03936	1.7
55.01863	3.9
61.73922	0.4
70.72301	1.2
72.82420	0.4
77.03892	0.7
79.05483	19.6
80.05824	0.5
80.12736	0.5
89.98161	0.4
91.05459	2.2
92.99400	0.4
94.04166	0.6
95.04968	4.9
103.05460	13.0
105.04523	1.1
105.07020	100.0
106.07368	2.8
107.04945	1.7
110.66605	0.4
115.05447	5.6
131.04930	2.0
132.05707	1.0
133.06479	87.1
133.10115	1.3
134.06813	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02382	0.4
53.03932	1.2
53.62451	0.2
55.01866	3.8
55.47667	0.2
60.73986	0.3
68.53673	0.2
69.88281	1.1
69.88692	0.5
77.03924	0.8
79.05482	16.7
80.05794	0.4
90.54414	0.2
91.05477	1.2
94.04169	0.5
95.04966	3.2
98.20828	0.5
98.21377	0.6
101.61472	0.3
103.05453	12.4
104.05789	0.3
105.07016	100.0
106.07334	3.1
107.04945	1.7
115.05443	5.4
131.04913	2.5
132.05728	0.5
133.06473	93.1
134.06819	3.6
139.52007	0.3
141.16370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.85647	1.0
69.07065	15.8
70.65777	2.7
70.66103	1.6
79.74800	1.3
86.09702	100.0
87.10023	3.3
95.71528	1.2
122.24841	1.0
132.10182	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	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.07061	27.5
71.03302	2.0
71.03677	1.8
80.61894	0.9
86.09695	100.0
87.10007	3.0
88.52212	0.8
93.28217	0.9
137.83856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
56.05033	1.7
56.96564	3.1
57.03427	5.4
58.01226	0.6
58.02972	0.9
58.06596	0.7
59.78034	0.6
65.03946	1.3
68.05037	0.7
69.03417	1.1
70.03767	1.3
73.02899	0.7
77.03896	0.8
83.00787	1.1
84.04493	1.3
85.04836	1.9
85.08479	1.1
86.09710	1.9
90.90378	0.6
91.05472	100.0
92.05792	4.5
95.04942	1.2
96.01547	0.7
98.21496	2.0
98.97584	1.4
103.05444	9.7
104.04967	1.1
113.07954	2.9
115.05430	6.7
115.59248	0.7
116.06226	22.9
116.98643	1.5
117.05777	0.8
117.06573	1.7
128.02277	0.9
128.06200	1.7
129.06996	13.8
130.07336	1.4
131.04903	2.0
131.08551	74.3
132.04471	1.0
132.06564	4.0
132.08069	1.8
132.08890	5.0
132.09807	1.0
133.06482	0.9
134.99669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54749	1.7
53.03942	5.1
55.01851	1.7
55.05492	1.9
56.01379	1.8
56.05027	13.2
56.96562	38.3
57.03432	22.5
58.02973	3.0
58.06600	12.2
59.06116	6.4
60.04517	4.2
60.08152	2.6
61.02913	5.9
65.03924	2.3
68.02602	2.1
68.05025	4.6
68.75451	1.9
69.03419	7.7
69.07069	4.2
70.03744	7.0
70.06582	4.0
71.06918	1.8
71.59159	2.5
72.04501	5.4
72.08159	9.2
73.02910	7.7
75.93146	1.8
81.03423	2.1
83.00756	4.4
83.06078	3.2
84.04494	6.8
84.08131	2.4
85.02913	5.7
85.04827	5.7
85.07682	2.5
85.08512	10.0
86.06078	11.5
86.09683	10.8
87.05572	6.5
89.07158	3.1
89.90688	2.7
90.01541	3.7
90.05495	2.1
90.90372	9.9
91.05479	100.0
92.05804	4.8
93.03695	2.4
95.04942	6.3
96.01532	2.5
96.04488	2.1
98.01282	5.0
98.04784	3.7
98.97578	10.0
101.07166	1.8
103.05466	55.8
104.01267	2.0
104.05018	3.6
104.05775	3.7
105.07008	2.0
109.06516	3.9
110.01268	4.3
113.07158	6.7
113.07932	20.4
114.05534	3.6
115.05446	13.4
116.06236	39.4
116.27221	1.9
116.98617	10.6
117.05770	2.8
117.06552	2.6
119.01820	3.4
128.06204	2.6
128.98592	4.8
129.07004	15.5
131.03398	2.1
131.04944	14.9
131.05963	3.6
131.06966	11.6
131.08534	48.8
132.04434	4.9
132.05620	3.1
132.06555	19.3
132.08064	6.6
132.08937	4.6
132.10193	22.7
134.99651	10.7
146.99640	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	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29760	0.9
56.04824	0.8
56.05029	9.2
56.96562	4.6
57.03418	0.8
57.07069	59.3
58.06597	1.4
58.07407	1.2
59.06116	2.2
69.03073	1.4
69.03424	19.3
69.07050	2.5
70.06573	3.0
71.04994	1.1
71.50569	1.5
72.04504	1.9
72.08148	5.7
73.02914	1.1
74.09711	40.0
82.06565	2.2
84.04495	100.0
84.08128	12.5
85.04819	3.5
85.07640	2.7
87.09222	1.5
89.90689	2.6
90.01534	1.3
91.05460	1.4
95.49026	0.8
98.01305	1.1
98.97565	2.2
103.05460	7.3
112.07591	40.2
113.07117	2.3
113.07933	2.8
116.98629	1.2
130.04991	6.5
130.06512	10.9
130.08627	7.8
130.09547	1.3
130.15901	76.8
131.04980	1.4
131.08636	0.9
131.16257	3.1
134.99625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02368	1.3
53.00303	3.0
53.03942	29.7
55.01869	7.2
59.50744	1.2
65.03945	1.5
69.03426	15.0
69.38926	12.1
71.04981	4.0
73.17496	1.2
81.03413	89.0
82.03741	2.2
83.01351	2.3
85.02905	4.0
89.56548	1.4
95.01340	2.7
97.02877	2.7
98.03678	2.2
99.04463	2.7
109.02870	100.0
110.03214	3.9
127.03902	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	130.0498
Annotation	DL-Pyroglutamic acid
Peak:m/z	Relative Intensity
50.31782	0.2
54.71353	0.2
55.01865	0.8
55.02991	0.4
55.05504	1.0
56.05033	6.0
56.96560	4.3
57.03426	0.9
57.07069	6.5
59.06124	1.3
59.47462	0.3
61.02916	0.6
65.19060	0.3
67.05495	0.6
68.04993	0.4
69.03423	14.5
69.07069	1.4
70.06583	2.0
71.04980	0.7
71.16348	0.3
71.16700	0.6
72.04499	1.3
72.08149	5.2
73.02918	0.6
74.09713	3.8
76.02728	0.3
77.00773	0.3
77.91058	0.2
82.06567	0.9
83.00772	0.4
84.04495	100.0
84.07626	0.5
84.08135	10.9
85.02902	0.7
85.04829	2.2
85.07664	2.8
87.09227	1.0
88.07603	0.5
89.90668	0.6
91.05488	0.6
92.01285	0.5
95.04934	0.6
96.01546	0.6
97.02870	0.3
98.01279	0.7
98.97578	1.3
102.05527	0.4
103.05463	4.8
104.01228	0.4
110.01263	0.4
112.05074	0.8
112.07594	30.4
113.07107	2.0
113.07915	1.3
113.10773	0.4
116.98616	0.9
119.01785	0.7
128.02287	0.3
130.02180	0.6
130.05020	5.5
130.06511	9.3
130.08641	6.4
130.09703	1.1
130.15906	8.5
130.16887	0.3
131.04904	2.4
131.08789	0.4
134.99637	1.3
139.34682	0.2
146.99620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98496	0.3
53.03930	0.4
55.01883	0.6
55.02987	0.4
55.05498	1.8
56.05027	6.4
56.96288	0.5
56.96558	5.7
57.03428	1.4
57.07069	12.7
58.06602	0.4
59.06116	1.7
60.04532	0.6
61.02924	0.6
67.05495	0.9
68.05016	0.6
69.03422	22.0
69.07065	2.5
69.53337	2.7
70.03757	0.6
70.06584	2.6
71.04982	1.1
71.06113	0.4
72.04514	2.2
72.08147	7.7
73.02910	0.8
74.02452	0.5
74.09711	8.4
77.00791	0.8
82.06583	1.0
83.00769	1.1
84.04495	100.0
84.08134	14.9
84.96043	0.4
85.02905	1.3
85.04028	0.4
85.04825	1.8
85.07658	4.3
86.06060	0.7
87.09222	1.5
88.07624	0.5
89.90684	0.8
90.01547	0.7
91.05480	0.8
95.04950	0.6
97.02882	0.5
98.01311	0.7
98.07190	0.5
98.20779	0.7
98.97567	1.5
103.05453	5.4
110.01250	0.7
112.05098	0.8
112.07593	46.3
113.07121	2.7
113.07932	1.0
116.98595	2.0
119.01778	1.1
128.02338	0.6
130.02167	0.3
130.05023	6.0
130.06517	14.5
130.08635	8.9
130.09729	1.2
130.15906	16.6
131.04944	2.1
131.06845	0.4
131.08533	0.5
131.16228	0.4
134.99651	1.5
142.83424	0.3
146.99655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
51.02379	0.5
53.03935	1.0
54.03446	0.5
55.01866	1.2
55.05504	0.6
56.05024	0.6
57.03429	1.0
58.06591	2.6
58.99860	2.0
59.07373	1.2
60.08158	0.4
65.03938	0.6
67.05490	1.7
68.05013	2.9
68.05784	0.4
68.58670	0.4
69.03426	2.3
69.04543	0.6
70.71246	0.9
70.71620	0.7
71.01340	0.9
77.00895	6.4
78.03456	1.2
78.06319	1.5
79.01837	0.5
79.05475	3.2
80.05007	9.2
80.52688	0.4
81.03394	0.5
81.04543	0.7
81.05334	2.0
81.05772	0.8
81.07037	1.5
82.05331	0.5
82.06562	1.4
82.07357	0.6
82.99828	0.6
83.04968	0.8
83.06094	1.3
83.67317	0.4
84.22083	0.4
89.00891	0.9
91.05464	0.6
94.02944	0.6
94.06544	0.5
95.01936	3.7
95.04955	1.2
95.06081	0.7
96.04482	25.0
96.05271	2.6
96.06887	0.9
96.08092	2.1
97.01879	0.4
97.02882	7.7
97.04028	0.7
97.04777	1.0
97.05302	1.0
97.06503	0.8
97.07657	1.1
99.09177	0.6
100.02457	3.0
101.00872	5.9
101.02541	6.3
102.02221	3.3
103.02278	0.5
106.06544	1.0
107.06049	1.7
107.08560	0.5
109.04020	0.5
110.04787	2.4
112.03957	11.9
117.10236	1.7
118.03503	3.8
119.01907	100.0
119.03591	7.8
120.01981	6.1
120.03239	5.0
121.01659	1.2
124.03940	54.5
124.05841	4.7
124.07571	6.0
124.08665	3.7
124.09551	0.7
125.02334	3.5
125.03405	0.7
125.04301	1.3
125.06011	1.6
125.07095	5.2
125.09618	0.6
125.10736	0.6
133.01590	1.0
133.03415	0.5
137.02939	74.5
138.03035	4.3
139.02644	0.6
140.03404	5.5
142.03471	7.0
143.03593	0.8
144.03168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	3.7
51.02372	2.0
52.03164	13.0
53.03946	6.4
55.01868	7.2
56.05037	6.1
58.06587	7.4
59.06121	53.2
67.01833	1.5
68.05024	75.8
69.03419	2.9
69.05779	1.8
70.06586	10.9
71.04981	3.8
71.11682	3.1
72.61149	1.3
80.02625	2.9
80.04996	4.5
81.03410	20.5
81.04530	4.3
81.07038	3.9
82.06574	16.3
83.06082	6.4
84.04521	3.0
84.05630	1.5
85.07661	11.9
86.08450	18.6
95.01286	1.5
97.07652	2.5
97.39332	1.1
98.03683	17.4
98.06028	2.4
99.04470	2.5
99.09252	1.8
108.02101	46.5
108.04459	3.1
109.02882	23.2
109.07634	26.5
121.01631	2.1
126.03129	100.0
126.05506	16.1
126.06503	2.9
126.10266	38.3
127.03934	34.2
142.60974	1.1
143.36880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03935	1.0
54.03446	0.5
55.01866	1.2
55.05504	0.6
56.05024	0.6
57.03429	1.0
58.06591	2.6
58.99860	2.0
59.07373	1.2
60.08158	0.4
65.03938	0.6
67.05490	1.7
68.05013	2.9
68.05784	0.4
68.58670	0.4
69.03426	2.3
69.04543	0.6
70.71246	0.9
70.71620	0.7
71.01340	0.9
77.00895	6.4
78.03456	1.2
78.06319	1.5
79.01837	0.5
79.05475	3.2
80.05007	9.2
80.52688	0.4
81.03394	0.5
81.04543	0.7
81.05334	2.0
81.05772	0.8
81.07037	1.5
82.05331	0.5
82.06562	1.4
82.07357	0.6
82.99828	0.6
83.04968	0.8
83.06094	1.3
83.67317	0.4
84.22083	0.4
89.00891	0.9
91.05464	0.6
94.02944	0.6
94.06544	0.5
95.01936	3.7
95.04955	1.2
95.06081	0.7
96.04482	25.0
96.05271	2.6
96.06887	0.9
96.08092	2.1
97.01879	0.4
97.02882	7.7
97.04028	0.7
97.04777	1.0
97.05302	1.0
97.06503	0.8
97.07657	1.1
99.09177	0.6
100.02457	3.0
101.00872	5.9
101.02541	6.3
102.02221	3.3
103.02278	0.5
106.06544	1.0
107.06049	1.7
107.08560	0.5
109.04020	0.5
110.04787	2.4
112.03957	11.9
117.10236	1.7
118.03503	3.8
119.01907	100.0
119.03591	7.8
120.01981	6.1
120.03239	5.0
121.01659	1.2
124.03940	54.5
124.05841	4.7
124.07571	6.0
124.08665	3.7
124.09551	0.7
125.02334	3.5
125.03405	0.7
125.04301	1.3
125.06011	1.6
125.07095	5.2
125.09618	0.6
125.10736	0.6
133.01590	1.0
133.03415	0.5
137.02939	74.5
138.03035	4.3
139.02644	0.6
140.03404	5.5
142.03471	7.0
143.03593	0.8
144.03168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27922	0.2
53.03936	0.2
54.03454	0.5
55.05507	0.2
56.05035	1.2
56.96554	1.4
57.03407	0.2
58.06590	0.4
58.99865	0.8
59.07408	0.2
67.05505	0.3
68.05028	0.7
69.03416	0.3
69.04552	0.4
70.06580	0.5
70.99860	0.3
71.53680	0.3
77.00899	1.2
78.03440	0.2
78.04707	3.9
78.06327	0.4
79.05489	1.1
80.05007	2.7
81.04510	0.9
81.05780	0.2
81.07068	0.5
82.06577	0.2
82.92890	0.7
82.99831	0.5
83.06097	2.6
89.00890	0.4
94.06572	0.3
95.01373	0.3
95.01936	0.6
95.04963	0.8
95.06087	0.2
96.04485	3.4
96.05281	0.8
96.06873	0.3
96.08113	0.5
97.02864	0.8
97.06543	0.2
97.07641	1.4
100.02470	0.8
101.00871	9.2
101.02533	1.3
102.00974	0.5
102.02223	0.7
104.05809	0.3
105.03350	0.3
106.04179	0.3
106.06542	0.5
107.04932	0.6
107.06078	2.2
109.05252	0.4
112.03951	0.7
117.10220	0.2
118.03526	1.2
119.01910	100.0
120.01988	6.4
120.03265	0.7
121.02352	0.4
123.04423	1.2
124.02477	0.4
124.03947	9.1
124.05135	1.8
124.05983	0.4
124.07574	3.4
124.08696	3.1
125.02390	0.4
125.04308	0.2
125.06009	0.4
125.07077	1.1
125.10809	0.2
133.03510	0.3
137.02943	60.7
138.03032	3.6
139.03400	0.4
140.03418	0.7
142.03490	5.2
143.03595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02354	0.6
53.03936	5.9
54.03463	2.2
55.01863	1.0
55.05503	22.0
56.05032	3.2
56.05832	0.9
57.03442	0.7
59.77988	0.5
65.03935	5.1
66.23190	0.6
67.05495	97.1
68.05025	1.7
68.05822	2.2
69.03434	0.9
69.04538	0.6
69.67255	3.9
70.06580	1.5
79.05474	8.5
79.05897	0.8
80.05009	10.4
80.06268	1.5
81.03404	8.7
81.04529	3.2
81.07035	11.2
82.01441	1.2
83.04940	0.7
83.06091	3.7
83.06522	0.5
91.05463	6.1
93.07027	18.1
95.04954	62.6
95.08591	57.5
96.04482	8.0
96.05282	2.4
96.08932	2.7
97.07645	3.3
98.20729	0.8
100.02468	12.5
101.02558	0.7
103.05453	1.1
105.04494	1.5
105.07005	4.0
106.06654	0.6
106.07364	2.0
107.04964	1.3
107.06072	3.0
108.05732	6.0
108.07648	1.5
112.03923	3.2
118.03507	11.1
119.01909	6.2
119.03568	1.0
121.06512	0.7
123.04446	3.6
123.05547	18.4
123.08054	100.0
123.11670	1.2
124.03960	9.0
124.04865	1.0
124.05854	0.6
124.07554	1.0
124.08579	7.8
137.02959	3.3
140.03365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	0.2
60.00643	0.2
71.01904	0.3
77.00913	0.2
82.01470	0.2
82.99815	0.6
83.01525	0.3
83.06115	0.1
84.01189	0.2
86.29676	0.1
100.02473	1.2
101.00869	11.9
101.02542	2.7
101.95247	0.1
102.00921	0.5
102.02213	1.1
102.02760	0.1
118.03522	1.1
119.01910	100.0
120.02010	5.0
120.03272	0.9
121.02353	0.5
123.59901	0.1
124.02469	0.3
131.97696	0.1
133.03534	0.1
137.02943	51.8
138.03040	2.9
139.03365	0.4
142.03488	4.4
143.03664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.03467	0.3
55.01867	0.7
55.05517	0.4
56.05035	0.8
56.96553	0.5
57.03429	0.8
58.06599	1.7
58.99861	3.1
59.07373	1.0
59.99953	0.3
60.08150	0.4
61.02928	0.6
65.42474	0.2
67.05502	0.8
68.05026	1.1
68.91010	0.3
69.03418	1.1
69.04546	0.5
70.04900	1.0
70.99850	1.4
77.00904	7.1
78.00982	0.4
78.03447	0.6
78.06319	1.6
79.00652	0.4
79.01846	0.2
79.05486	0.7
79.52825	0.4
80.05010	8.2
81.03409	0.4
81.04539	1.4
81.05344	0.6
81.05807	0.6
81.07053	0.3
82.05314	0.6
82.06577	0.6
82.92885	1.0
82.99851	0.7
83.06101	0.9
84.01201	0.2
84.08141	0.3
85.02929	0.2
89.00869	1.2
89.02546	0.2
92.82941	0.2
94.01750	0.2
94.06569	0.5
95.01934	3.9
95.04977	0.4
95.06098	0.5
96.04489	12.0
96.05223	0.5
96.05344	0.5
96.06909	0.2
96.08128	0.9
97.02335	0.4
97.02899	2.0
97.04748	0.3
97.05281	0.8
97.07637	0.9
99.09205	0.5
100.02473	2.6
100.07593	0.3
101.00867	9.1
101.02547	4.1
102.00981	0.4
102.02233	3.4
103.00608	0.3
103.02280	0.5
106.06567	0.2
107.01935	0.3
107.06084	1.9
109.04007	0.3
109.05235	0.2
110.04782	3.6
112.02794	0.3
112.03265	0.3
112.03929	1.6
117.02242	0.3
117.10252	1.8
118.03513	2.7
118.64985	0.2
119.01913	100.0
119.03600	5.3
120.02016	6.1
120.03259	3.3
120.04034	0.3
121.01656	1.9
121.02370	0.5
123.53672	0.2
123.95481	0.3
124.03947	36.9
124.07581	4.4
124.08690	3.2
124.09529	0.4
125.02335	0.7
125.04318	1.0
125.07103	3.2
125.10740	0.2
131.01863	0.4
133.01645	1.3
133.03484	0.6
135.03227	0.5
137.02946	58.9
138.03029	4.0
139.02562	0.5
139.03496	0.3
140.03458	1.1
142.03494	7.2
142.05165	0.3
143.03658	0.4
143.11778	0.3
144.03232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.42020	1.1
51.02372	1.3
53.03940	10.1
54.03469	4.1
55.01865	3.0
55.05506	21.8
56.05029	9.1
57.07072	1.8
58.06589	1.8
65.03933	5.9
66.03450	1.2
67.02995	1.6
67.05499	100.0
68.05022	7.9
68.05828	2.0
69.03435	2.5
69.04554	1.2
69.07059	1.5
69.60938	5.0
69.61340	1.8
70.06573	3.7
77.03908	0.9
78.03434	1.6
79.05481	15.9
79.05910	1.7
80.05012	33.2
80.05791	1.9
80.06288	2.5
81.03407	2.5
81.04528	11.7
81.05340	1.3
81.05793	2.1
81.07050	32.3
82.01446	1.8
82.04868	1.6
82.05311	2.1
82.06573	2.2
82.07362	1.2
83.05620	2.1
83.06084	14.8
91.05486	3.3
93.07033	18.2
95.04959	60.5
95.06074	2.4
95.08598	94.4
96.04484	22.9
96.05242	1.7
96.06422	1.5
96.08137	2.3
96.08925	4.9
97.07641	11.0
100.02473	21.0
101.02579	2.1
102.68320	0.9
103.05449	1.5
104.05754	1.5
105.04541	3.4
105.07024	9.5
106.02946	1.3
106.06628	1.8
106.07334	8.8
106.80237	1.0
107.04981	4.9
107.06078	13.0
108.05727	23.7
108.06950	2.2
108.07655	12.6
111.89393	0.9
112.03941	5.9
118.03508	20.0
118.04283	1.1
119.01909	12.7
119.02690	1.1
119.03628	1.8
121.06541	3.8
122.06909	0.8
123.04462	14.7
123.05572	49.9
123.08090	58.7
123.09126	2.5
123.09963	13.3
123.10796	1.4
123.11673	6.2
124.03947	27.3
124.05921	1.3
124.07619	3.6
124.08698	25.9
125.07112	1.5
137.02951	7.1
140.03484	3.0
142.03491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81678	0.3
58.99843	0.6
69.99764	2.0
77.00886	0.6
82.01424	4.2
82.99825	0.7
87.33378	0.3
100.02469	49.1
101.00857	6.1
101.02539	3.0
118.03509	40.4
119.01904	100.0
119.03583	3.1
121.02277	0.4
123.04003	0.7
134.59296	0.4
136.04533	1.3
137.02937	64.7
139.03351	0.5
141.05052	0.8
142.03484	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01607	1.0
51.02383	1.5
53.03941	11.6
54.03465	5.5
55.01875	3.5
55.05508	26.0
56.05028	12.1
56.96559	1.7
57.07069	2.7
65.03931	6.0
66.03470	1.2
67.02998	1.3
67.04256	2.0
67.05499	100.0
68.05030	10.7
68.05836	3.8
69.03425	2.7
69.04552	3.3
69.07080	1.6
70.06574	4.8
77.00931	1.4
77.03922	1.3
78.03451	1.5
79.05489	20.0
80.05013	49.4
80.05795	2.4
80.06278	3.4
81.03427	2.8
81.04542	15.8
81.05346	1.6
81.07050	52.2
82.01437	2.3
82.04889	1.7
82.05350	2.8
82.06577	1.7
82.07400	1.9
83.04983	1.5
83.05631	2.2
83.06098	16.7
91.05439	4.7
93.07034	18.8
94.07359	1.2
95.04964	79.0
95.06100	3.3
95.08598	99.4
96.04488	31.0
96.05230	1.9
96.06437	1.0
96.08199	1.7
96.08941	4.5
97.04052	1.1
97.07645	12.5
100.02473	41.9
101.00895	1.7
101.02573	3.0
103.05480	2.2
104.05807	1.0
105.04538	3.9
105.07034	11.2
105.30396	0.9
106.02906	1.9
106.06657	1.8
106.07323	8.0
107.02522	1.3
107.04980	5.3
107.06069	17.5
107.07348	1.5
108.05727	27.0
108.06403	1.6
108.07640	9.0
111.84663	0.9
112.03964	10.3
115.15076	1.0
118.03514	45.8
119.01909	26.8
119.03653	4.1
121.06444	4.8
123.04473	16.9
123.05577	76.7
123.08092	79.7
123.09137	3.7
123.09930	11.0
123.11668	11.2
124.03945	38.8
124.05910	2.6
124.07618	4.1
124.08700	29.7
133.03352	1.0
134.36191	0.9
137.02946	19.7
140.03363	5.5
141.05107	1.6
142.03467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03937	6.5
54.03465	1.1
55.01857	1.7
55.05500	22.9
56.05019	2.5
57.03408	1.1
65.03923	2.8
67.05495	91.5
68.05017	1.8
68.05817	1.8
68.28460	0.8
69.04506	0.9
70.06589	1.1
71.04185	2.2
79.05476	7.7
80.05000	8.5
80.06263	1.6
81.03412	8.1
81.04536	2.5
81.07042	10.7
82.01401	1.1
83.04973	0.9
83.06091	2.1
91.05466	6.4
92.05773	0.7
93.07029	19.3
94.07345	1.0
95.04954	65.0
95.08593	60.2
96.04479	6.2
96.05266	1.2
96.08183	0.8
96.08910	2.7
97.07635	2.7
100.02467	12.2
103.05443	1.2
105.04507	1.5
105.07018	5.0
106.06618	0.7
106.07358	2.0
107.04922	2.2
107.06072	3.1
108.05743	5.1
112.03963	2.3
116.25519	0.8
118.03502	11.4
119.01900	4.6
119.03627	0.9
123.04442	3.0
123.05544	17.8
123.08059	100.0
123.09970	2.7
124.03950	8.5
124.05914	0.9
124.08535	6.2
137.02954	2.6
140.03427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02365	0.8
53.03942	6.9
54.03468	3.1
55.01864	1.0
55.05511	0.7
56.96557	0.8
63.92841	0.5
64.74287	0.4
65.03931	1.9
66.31110	0.5
67.05546	0.6
69.33894	0.9
69.34308	4.4
77.03919	1.9
78.04717	2.0
79.05491	42.5
80.05010	0.6
80.05834	0.8
81.03409	1.0
81.04543	4.9
81.07067	1.0
82.05303	3.0
91.05478	22.2
92.05812	0.6
93.07041	19.5
94.02961	0.6
94.06570	0.6
94.07839	1.0
95.04352	1.1
95.04965	19.7
95.06097	1.6
103.05463	21.8
104.05695	0.6
104.06301	1.3
105.04543	4.1
105.07027	100.0
106.04133	0.6
106.06602	0.9
106.07252	1.9
106.07803	4.6
107.04948	33.1
107.07337	7.2
119.08577	12.6
120.08910	0.7
121.02896	0.9
121.04034	1.2
121.06500	25.3
121.10138	43.9
122.07184	24.1
122.09677	8.6
122.10493	2.0
123.08054	14.1
133.07607	4.2
138.06763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0965
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
53.03952	0.7
54.03467	0.3
66.80349	0.3
77.03905	0.5
79.05492	6.4
80.14328	0.3
82.05322	0.5
85.92783	0.3
94.43118	0.3
95.04978	2.6
95.06070	0.6
98.21479	0.9
103.05466	4.1
105.07024	100.0
106.07360	5.3
107.07285	0.5
113.68365	0.3
122.07066	1.0
122.09678	0.7
123.05570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03942	7.3
54.03466	4.9
55.01873	0.9
55.05495	0.8
56.96555	1.7
58.02942	0.6
65.03927	1.6
67.05498	1.1
67.84940	0.6
68.05019	1.0
69.81775	2.7
70.06569	0.9
77.03925	1.6
78.04716	0.9
79.05482	38.6
80.05027	1.0
80.05802	1.0
81.03410	0.8
81.04527	8.7
81.07033	1.2
82.05312	8.5
91.05469	16.8
93.07030	18.9
94.06548	1.1
95.04955	14.4
95.05553	0.7
95.06060	3.6
98.20679	0.5
103.05453	22.4
104.05766	0.6
105.04513	4.9
105.07014	100.0
106.07253	1.8
106.07922	4.6
107.04942	21.2
107.07319	14.6
107.08030	1.1
111.56693	0.5
119.08557	14.4
120.05659	0.8
120.08884	0.7
121.02818	1.1
121.04014	0.8
121.06493	15.1
121.10124	42.7
122.07150	43.7
122.09653	16.6
122.10478	2.3
123.08054	13.3
133.07582	4.3
138.06781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.53472	0.7
51.02378	0.7
52.30331	0.6
53.03946	5.7
54.03471	1.6
55.26070	0.7
65.03922	1.8
68.05033	0.6
69.39419	3.5
69.39848	3.0
77.03912	1.8
78.04698	1.2
79.05484	38.2
80.05838	0.7
81.03436	0.9
81.04533	4.2
81.07045	1.3
82.05325	4.1
82.24295	0.7
91.05471	14.9
93.07032	16.8
94.07327	0.9
94.07847	1.3
95.04961	15.0
95.06065	1.2
96.37463	0.7
97.40009	0.6
103.05456	20.1
104.06257	1.6
104.39668	0.7
105.04523	3.2
105.07019	100.0
106.07256	2.1
106.07922	5.4
107.04943	36.6
107.07314	6.2
119.08566	14.4
120.05611	0.8
121.02973	0.7
121.06493	18.6
121.10130	45.6
122.07182	26.0
122.09651	7.4
122.10469	2.3
123.08055	15.0
125.21088	0.7
133.07588	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	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03936	7.4
54.03453	2.7
55.01860	1.3
55.05482	2.2
56.96543	1.7
65.03923	6.7
67.05492	1.7
70.06573	1.3
70.77659	1.5
70.78009	1.0
77.03909	1.8
78.04694	0.9
79.05482	39.6
80.05798	1.1
80.93030	0.9
81.03438	0.8
81.04523	6.1
81.07049	1.3
82.05309	6.6
88.21275	0.8
91.05467	20.4
92.01297	1.3
92.97387	0.8
93.03402	0.9
93.07026	24.2
94.06548	0.9
95.04955	15.8
95.06080	2.2
95.74144	0.7
103.05450	22.0
104.05762	1.2
105.04496	2.7
105.07014	100.0
106.06631	1.1
106.07246	2.4
106.07920	4.6
107.04934	9.7
107.07314	13.2
111.04453	0.9
119.08560	12.9
121.02859	5.3
121.03973	2.1
121.06499	11.5
121.10121	44.3
122.06161	1.6
122.07139	30.6
122.08846	1.4
122.09650	17.1
122.10473	1.8
123.08047	12.7
128.77170	0.8
130.71225	0.8
133.07614	4.1
136.98251	0.7
137.32976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.73574	1.1
51.02365	2.0
53.03739	1.2
53.03949	14.7
54.03460	4.8
55.01857	1.4
55.05502	6.2
56.96547	4.1
57.03434	1.7
58.02965	1.5
65.03928	5.0
65.49680	1.2
67.05490	4.5
69.18317	1.1
70.06567	1.7
70.10619	5.3
77.03925	2.3
78.53965	1.2
79.05489	57.6
80.05022	1.3
80.05819	1.4
80.06235	1.2
81.04527	7.3
81.07034	5.3
82.05326	8.5
85.82593	1.1
91.05476	51.1
92.05817	1.8
93.07037	77.2
94.06554	2.4
94.07391	2.8
95.04961	31.9
95.06050	2.3
98.21525	1.2
103.05461	23.2
105.04507	6.8
105.07023	100.0
106.06583	2.3
106.07859	8.6
107.04932	2.6
107.07332	41.3
119.08590	8.3
121.02879	3.5
121.03985	3.6
121.06548	11.7
121.07569	2.1
121.10132	46.3
122.06077	5.3
122.07142	48.5
122.09660	52.4
122.10437	3.1
123.08022	7.0
133.07617	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02369	0.7
53.03941	2.6
56.96558	0.5
59.06114	0.7
65.03933	6.4
67.05487	0.6
70.84431	0.9
70.84760	0.5
77.03502	0.6
78.04696	1.2
78.93093	0.9
79.05482	6.4
91.05469	100.0
92.04998	1.2
92.05792	2.6
93.07034	6.3
95.04951	5.0
96.05307	0.8
96.94144	0.5
103.05451	11.7
104.05608	0.7
104.06240	11.3
105.04525	1.1
108.56886	0.4
109.06508	4.9
110.41986	0.4
115.05444	6.4
115.38615	0.4
117.07002	36.3
118.07329	1.5
119.04922	4.8
119.06053	4.5
119.08564	71.7
120.04462	0.9
120.05547	2.3
120.08901	3.0
121.06487	0.8
127.72030	0.5
131.06142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03941	2.6
56.96558	0.5
59.06114	0.7
65.03933	6.4
67.05487	0.6
70.84431	0.9
70.84760	0.5
77.03502	0.6
78.04696	1.2
78.93093	0.9
79.05482	6.4
91.05469	100.0
92.04998	1.2
92.05792	2.6
93.07034	6.3
95.04951	5.0
96.05307	0.8
96.94144	0.5
103.05451	11.7
104.05608	0.7
104.06240	11.3
105.04525	1.1
108.56886	0.4
109.06508	4.9
110.41986	0.4
115.05444	6.4
115.38615	0.4
117.07002	36.3
118.07329	1.5
119.04922	4.8
119.06053	4.5
119.08564	71.7
120.04462	0.9
120.05547	2.3
120.08901	3.0
121.06487	0.8
127.72030	0.5
131.06142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02372	3.1
53.03703	1.5
53.03944	22.9
55.01860	2.9
65.03934	1.9
67.24659	0.8
69.25909	0.8
70.88567	1.9
70.88942	1.1
72.20057	0.7
77.03947	4.9
78.04696	1.0
79.05492	0.9
79.06097	0.8
81.03396	2.7
82.99864	0.8
91.05476	73.8
92.05820	2.7
93.07034	54.9
94.07372	2.5
95.04964	49.5
96.05276	1.0
102.04681	2.0
103.05463	100.0
104.05791	4.2
105.04507	10.6
108.92485	0.8
121.06494	87.4
121.82285	0.8
122.06853	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02373	2.0
53.03940	22.1
55.01870	2.9
65.03928	1.2
69.91025	3.4
77.03931	3.6
78.04691	0.7
79.05467	0.6
81.03406	1.9
91.05468	70.8
92.05804	1.4
93.07030	63.8
94.07373	1.4
95.04955	49.6
96.05270	0.9
102.04684	1.6
103.05453	100.0
104.05774	2.5
104.09705	0.5
105.04501	9.3
106.65823	0.6
108.30738	0.7
121.06487	99.2
122.06815	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01615	0.4
50.49527	0.3
51.02378	1.0
51.50048	0.4
53.03936	2.8
56.75832	0.4
56.96533	0.4
59.06117	3.2
60.04514	0.4
65.03929	5.2
67.05482	0.9
71.58852	0.4
71.59281	0.5
74.06073	0.6
76.93372	0.5
78.04694	1.8
78.93108	0.7
79.05486	8.8
80.37365	0.3
82.03670	0.4
87.05567	0.9
91.05467	98.9
92.04979	1.4
92.05792	2.4
93.07024	6.3
95.04952	5.9
96.05287	0.6
102.04659	0.6
103.05447	12.5
104.06233	15.4
105.04491	1.1
105.06520	0.5
109.06489	1.5
115.05432	6.0
117.07004	20.5
118.07291	0.5
119.04912	1.2
119.06075	1.4
119.08562	100.0
120.04424	1.1
120.05569	1.6
120.08070	0.5
120.08874	3.3
121.06454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.80125	1.0
53.03937	3.7
55.01870	0.9
56.95044	0.9
59.06108	2.4
60.85664	0.7
65.03923	5.8
70.75882	2.2
74.06081	1.0
78.04697	1.1
79.05487	6.1
86.38573	0.9
88.92406	0.8
91.05473	100.0
92.04980	1.2
92.05782	4.2
93.07024	5.9
95.04967	5.1
103.05450	12.7
104.06247	11.9
106.06736	0.8
109.06531	2.1
115.05465	6.3
116.25874	0.9
117.07009	39.1
117.07849	1.9
118.07316	1.2
119.04943	1.1
119.06106	1.9
119.08570	78.5
120.05561	2.3
120.08141	1.4
120.08928	2.4
121.06435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06106	13.8
59.88267	3.4
60.04508	5.6
65.03944	3.5
67.05488	15.0
69.03420	11.5
70.80532	5.7
70.80876	7.8
79.05473	4.5
83.19469	3.7
89.03484	4.0
90.55341	4.2
91.05484	22.0
93.07030	4.4
100.02467	15.6
101.00877	13.2
101.02528	3.7
103.02444	13.5
107.05231	11.7
116.05750	8.5
118.03508	11.2
119.01911	100.0
121.03458	17.5
129.03937	7.4
133.03410	6.4
137.02957	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68528	0.5
54.55660	0.6
59.06115	4.8
60.04519	1.4
65.03931	21.7
66.04253	1.0
69.84161	2.7
70.33666	0.6
72.25752	0.6
74.06070	0.7
87.20731	0.8
91.05469	100.0
92.05812	2.8
93.07020	1.0
98.20956	1.2
98.21511	0.6
103.05457	5.2
104.98393	0.5
111.04441	0.6
119.04925	30.1
119.08591	1.2
120.05482	2.0
120.08083	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	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
59.06122	3.6
65.03931	24.6
87.05582	0.9
91.05466	100.0
92.05799	3.1
93.36725	0.7
93.45894	0.7
95.04945	0.9
103.05402	1.0
111.07761	0.6
119.04923	38.4
119.08557	0.8
120.04450	0.9
120.05302	1.8
120.08087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03932	3.0
54.31527	0.5
55.63031	0.5
59.06118	6.8
60.04515	0.9
63.80619	0.5
63.91075	0.5
64.07635	0.4
65.03639	0.7
65.03938	5.6
67.05483	0.6
71.30822	0.5
71.36075	1.2
74.06078	1.0
78.04691	1.4
79.05479	9.2
87.05591	1.5
91.05470	100.0
92.04997	1.4
92.05823	2.7
93.04516	0.5
93.07037	5.3
95.04958	5.2
96.05275	0.5
103.05453	12.6
104.05605	1.0
104.06239	12.4
105.04512	0.8
105.76582	0.5
115.05452	5.7
117.07007	18.6
119.04922	1.5
119.06052	1.8
119.08566	91.8
120.04472	1.1
120.05569	2.1
120.08076	1.9
120.08915	2.6
121.06505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
56.05024	1.0
58.06594	0.7
59.06113	2.2
60.05604	0.6
64.24480	0.6
69.03426	0.6
70.06586	100.0
70.22995	0.5
71.06921	2.2
71.58131	0.7
72.08150	1.0
74.06055	0.7
76.07635	1.4
98.06091	0.9
98.07177	1.8
100.07632	1.4
116.07095	8.7
116.08008	0.7
116.08173	0.6
116.10740	0.7
117.10239	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01585	1.9
51.02376	7.2
53.03942	41.8
54.04277	1.6
55.01854	3.8
55.05301	0.9
55.05507	10.4
56.05019	4.7
56.96550	3.9
57.05802	1.2
58.02944	2.6
58.06599	13.7
59.04990	2.4
59.06116	14.3
59.93095	2.9
60.04514	7.7
60.05337	1.1
60.06446	2.2
61.02914	1.4
63.96247	1.0
65.03930	5.6
67.97620	1.1
69.82482	1.5
69.82902	4.8
70.06584	2.8
72.04499	4.1
72.08148	48.3
73.02913	1.0
73.08487	2.4
74.06082	5.9
75.05623	1.1
76.07639	13.7
76.93369	22.2
77.03915	6.6
77.07957	1.6
81.03403	3.8
83.01333	2.2
87.00827	1.8
87.05570	1.8
88.07671	1.2
91.05472	44.1
94.94398	5.8
95.04960	100.0
96.05306	2.9
98.20988	3.2
98.21597	0.9
100.02476	2.0
100.04003	1.1
100.07594	3.5
105.04507	18.7
106.04910	1.7
107.05190	1.0
112.95445	1.3
117.05666	1.1
117.95971	2.4
118.03440	1.6
118.06533	78.3
118.08669	3.4
118.10593	1.7
118.96764	1.5
119.01902	1.9
119.03564	5.7
119.04912	4.8
119.06073	2.3
119.06874	3.3
119.08566	2.3
120.54601	1.0
135.97002	1.5
137.02937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02366	6.3
53.03705	3.1
53.03942	42.4
55.05511	2.2
56.05013	3.6
56.96544	2.3
58.02943	2.4
58.06591	2.2
59.06111	14.7
59.93083	5.6
60.04505	6.6
60.06427	2.3
60.95851	1.8
65.03899	2.9
69.42883	17.5
72.04494	6.5
72.08138	9.9
75.05602	3.7
76.93360	33.0
77.03912	6.3
78.59885	2.1
81.03419	4.5
82.45568	1.6
87.05597	2.4
91.05468	45.1
92.05774	2.5
94.94402	9.7
95.04352	4.5
95.04955	93.5
100.04018	2.8
105.04495	17.2
116.05753	2.5
117.05775	4.0
117.95938	4.8
118.06525	100.0
119.04961	4.8
119.06021	2.7
119.06831	4.6
119.08585	2.5
135.96945	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	118.0864
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03931	0.5
54.27794	0.2
54.41807	0.3
55.05505	19.2
56.05022	0.5
57.05817	1.5
58.06590	0.8
59.04969	0.3
59.06116	0.8
62.23125	0.3
70.64343	0.6
70.64704	0.7
72.08147	100.0
73.08484	2.3
76.93388	0.4
85.47645	0.3
91.05476	0.8
98.21027	0.4
104.22324	0.3
116.33740	0.3
118.08651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.137
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01845	1.5
80.04989	0.2
81.03407	20.8
83.01292	0.8
83.04929	0.4
85.02915	1.8
89.03883	0.4
89.26035	0.2
91.01816	0.5
91.05433	0.7
92.99764	1.4
93.03355	0.9
95.01317	3.6
95.04896	0.4
95.81326	0.2
97.02356	0.2
97.02875	2.2
99.00778	0.7
99.04438	1.1
101.02325	0.6
103.05407	0.8
105.03342	0.4
107.01300	0.3
107.04928	0.2
108.02052	0.3
108.04426	0.6
109.02866	16.1
110.94455	0.2
111.00742	0.6
111.04378	0.8
113.02310	0.9
113.03911	0.2
117.03332	0.5
119.01291	1.1
119.04920	0.5
121.02853	3.7
123.00774	1.7
125.02325	1.6
126.05463	0.7
127.03059	0.3
127.03899	3.9
129.01767	0.3
129.03337	0.5
131.04881	0.7
133.02818	0.2
137.02312	2.6
139.00211	0.5
139.03835	0.7
141.01816	1.5
143.03354	0.5
145.02800	1.0
147.00731	0.7
147.04384	1.3
149.02336	2.6
151.00243	1.5
153.01794	2.8
154.99640	0.2
155.03352	0.3
156.67564	0.2
157.02832	1.2
159.04367	0.6
161.02295	0.5
163.00275	0.4
163.03899	1.7
165.01816	10.2
166.99722	1.3
167.03392	3.5
169.01335	1.0
170.04395	0.2
171.04366	0.4
173.02356	1.6
175.00247	0.4
175.03889	2.2
176.00943	0.2
177.01808	1.4
177.05399	0.3
178.99719	0.4
179.03426	0.5
181.01241	0.9
182.99245	1.0
183.02800	0.7
183.04311	0.3
185.00931	0.3
185.02271	1.3
187.03893	4.4
189.01765	1.2
191.03355	3.5
193.01302	35.5
194.99179	0.9
195.02876	1.5
197.00768	0.4
199.03918	0.5
201.01807	4.4
201.05353	0.2
202.02521	0.4
202.99716	0.6
203.03368	5.3
205.01347	1.2
205.04860	0.4
207.02907	1.0
208.93896	0.2
209.00749	0.6
210.01537	0.4
211.02325	2.5
213.00153	0.3
213.01854	2.8
213.05560	0.3
215.03357	4.2
217.01349	2.1
217.04973	0.4
218.02007	0.2
219.02866	5.7
220.11096	0.2
221.00777	53.8
222.01164	0.5
222.98659	0.3
223.02246	0.4
225.00272	0.2
227.03328	0.4
229.01283	4.6
230.02084	0.5
231.02849	20.6
233.04378	0.4
235.02299	0.5
237.00229	0.4
239.01819	4.8
241.01283	3.0
243.02814	1.0
245.00792	3.4
245.04539	0.4
246.01627	0.3
247.02361	13.4
248.02823	0.3
249.03867	0.4
253.05096	0.3
255.02817	0.6
257.00763	8.4
257.02744	0.4
258.01465	0.5
259.02353	36.3
260.02872	0.8
261.03931	1.2
263.01895	2.6
267.01358	0.7
269.04501	0.4
271.02316	1.1
273.00244	2.7
273.03857	0.6
275.01825	16.8
276.02573	3.7
277.03397	100.0
278.03787	1.5
283.02344	0.6
285.00302	5.4
285.03796	0.7
286.00793	0.3
287.01703	1.7
289.03253	1.2
291.01218	1.6
297.03873	0.5
299.01715	0.8
300.99756	0.8
301.03403	0.8
302.00464	0.9
303.01309	80.1
304.01746	1.1
305.02945	0.7
309.03793	0.4
311.02057	0.4
311.05353	0.3
312.99835	0.2
313.03418	0.6
315.01382	0.9
317.02902	0.8
319.00760	0.5
319.04459	0.4
321.02332	4.8
323.01770	0.3
325.03360	0.4
327.01309	0.8
329.02899	0.8
331.00854	0.4
331.04599	0.3
339.01105	0.3
339.05075	0.4
341.02878	0.5
343.00858	0.4
345.02475	0.4
347.03845	1.0
357.02414	0.4
359.04181	0.3
363.03613	0.3
365.04874	0.9
369.02301	0.3
375.03458	0.5
383.03760	0.4
385.05951	0.3
387.03513	0.4
403.02951	0.9
411.03534	0.4
415.02765	0.3
419.06219	0.3
421.03897	0.4
429.04504	4.1
431.02554	1.7
433.04156	0.5
446.06940	0.2
447.05435	1.7
449.03485	3.2
459.01874	3.9
467.04562	0.6
477.02957	18.6
495.04047	1.9
513.05115	2.3
557.05475	0.6
575.06781	0.7
585.04865	1.0
602.07623	0.8
603.05981	4.0
621.07190	9.2
639.08148	0.6
923.07538	0.6
941.08795	55.2
942.08386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38657	0.1
53.03944	0.1
54.03464	0.3
54.93829	1.7
55.01863	0.3
55.93532	0.1
56.05033	0.3
56.96555	0.2
57.03432	0.7
57.04559	0.1
58.06594	0.5
58.99862	0.2
59.52183	0.2
60.04519	0.1
65.58298	0.1
67.01861	0.3
67.03054	0.1
67.05492	0.4
68.05016	0.6
69.03427	0.5
70.02951	0.2
70.05556	0.4
70.06598	0.9
71.04971	0.1
71.06069	0.2
71.94095	100.0
72.04503	0.4
72.08152	0.3
72.52952	0.2
72.93781	9.1
73.02911	0.2
73.05302	0.3
73.94511	0.3
74.04821	0.6
77.00900	0.5
78.52961	0.3
81.03397	0.2
82.01422	0.2
83.06108	0.4
84.91189	0.1
85.07690	0.1
86.06065	0.3
86.52708	0.4
87.53488	0.1
88.02708	0.3
89.95131	9.6
90.02370	0.1
90.94820	2.8
95.01926	0.1
95.04961	0.2
95.06095	0.4
95.53223	0.1
96.04489	0.3
96.08118	0.7
99.53450	0.1
100.02470	1.3
101.00869	0.3
101.02569	0.1
102.02366	0.5
103.02417	0.1
105.00370	0.2
107.96164	1.4
108.95890	0.8
111.02902	0.6
112.96707	3.9
113.00902	0.2
113.02359	2.5
113.03493	0.3
113.05965	0.3
113.07130	0.6
113.10748	0.5
113.96393	0.5
114.06658	0.3
114.09195	0.2
115.02406	0.3
115.59634	0.1
118.01060	0.1
118.03510	1.3
119.01901	1.8
119.02689	0.2
120.03342	0.3
121.03522	0.2
122.09460	0.1
124.02375	0.1
130.97739	2.2
131.01906	1.6
131.97385	0.6
132.02003	0.2
132.05087	0.2
133.03482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44251	0.2
54.03462	0.2
54.93837	1.7
65.84864	0.2
67.05506	0.3
67.84737	0.2
69.64988	0.2
70.06617	0.3
71.47679	0.5
71.94098	100.0
72.93787	12.6
73.94499	0.3
89.95139	6.9
90.94822	2.3
95.88474	0.2
107.96200	0.5
108.95901	0.4
112.96705	3.3
113.02387	1.0
113.96428	0.7
122.16980	0.2
130.97717	1.3
131.97459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00299	0.5
53.03943	3.7
53.82721	0.3
55.05510	10.0
62.22675	0.3
65.03938	5.1
67.05501	100.0
68.05840	2.4
69.07066	6.2
70.11675	0.7
70.12068	0.9
72.93765	0.4
77.99891	0.5
79.05490	9.9
79.05958	0.5
80.05003	0.5
80.05834	0.4
80.06264	1.0
81.03423	5.0
81.07053	27.9
82.06554	0.6
82.07367	0.8
86.50616	1.3
87.00460	3.4
91.05496	1.0
92.05024	0.3
94.07817	1.7
94.53920	0.3
96.00962	0.8
98.51259	1.7
107.08585	3.3
109.02872	1.1
109.06512	1.2
109.10150	31.5
110.06024	2.9
110.07153	1.0
110.10486	1.4
113.96397	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02364	0.5
53.00308	0.6
53.03942	5.6
53.10361	0.4
55.01864	0.5
55.05505	11.2
56.96566	0.7
65.00629	0.5
65.03928	5.1
67.05497	100.0
68.05025	2.9
68.05810	2.3
69.04540	2.1
69.07055	6.6
71.59371	0.8
72.93785	0.4
76.62625	0.4
77.17962	0.4
79.05490	12.3
80.05000	0.6
80.06265	1.4
81.03412	8.5
81.07049	34.4
82.06567	2.9
82.07378	0.7
83.06097	1.0
86.00711	0.6
87.00446	4.4
91.05469	1.9
92.05019	0.8
94.04184	1.4
94.07827	1.8
96.00970	1.5
105.06993	0.6
107.04922	0.6
107.08587	3.9
109.02141	0.7
109.02863	2.2
109.06527	6.2
109.07640	6.3
109.10146	40.2
110.06048	7.8
110.07160	8.9
110.10480	1.3
111.04393	0.6
113.96394	2.7
129.97824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.32097	0.4
51.62385	0.4
53.03937	6.4
54.04297	0.5
55.01862	1.9
55.05504	11.4
56.96550	0.6
62.99075	0.4
63.52012	0.4
65.03927	5.9
67.05495	100.0
68.05024	3.1
68.05827	2.3
69.04540	1.8
69.07057	5.8
69.66355	3.3
72.93780	0.7
77.99943	0.4
79.05482	18.5
80.04999	0.5
80.05840	0.5
80.06271	1.2
81.03409	7.7
81.07044	38.4
82.06568	1.7
82.07375	1.0
83.06104	0.5
86.00683	1.0
86.50636	1.1
87.00451	10.7
90.94795	0.5
91.05471	3.5
92.04983	0.7
93.04517	0.5
94.04177	1.5
94.07813	1.7
95.04971	1.0
96.00971	2.4
98.51218	1.4
107.04946	1.1
107.08599	3.6
109.02836	2.0
109.06501	21.4
109.07609	3.4
109.10140	38.8
110.02029	0.7
110.06021	7.3
110.07140	10.5
110.10484	1.6
113.96391	4.4
129.97923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0603
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
52.48672	0.2
53.03935	0.4
54.04267	0.6
55.01866	0.3
55.02978	0.2
55.05509	1.5
56.05030	0.5
56.96561	3.1
57.03421	0.2
64.18639	0.1
65.03942	2.0
67.04242	0.8
67.05486	0.6
68.00258	0.2
68.02626	0.2
68.05021	0.7
68.95303	0.8
69.03432	0.3
69.04534	0.4
69.62730	0.1
70.02946	0.2
70.06593	1.7
70.81702	0.2
70.82043	0.3
70.99831	0.2
71.07368	0.6
71.95245	0.4
72.34834	0.2
73.02927	0.2
77.00785	0.4
80.05011	10.6
81.03394	0.6
81.05346	0.3
82.03734	0.7
82.05307	0.7
82.06577	3.2
83.04984	0.9
83.06097	1.2
84.08144	0.3
87.00451	0.2
89.00777	0.2
90.26273	0.2
92.04995	3.2
93.04525	0.5
93.05782	8.2
94.04079	0.3
94.06046	0.2
94.06565	0.8
96.06868	0.6
97.00966	0.2
98.01302	0.2
98.88679	0.2
98.97564	0.5
100.02463	0.4
100.63464	0.2
105.00372	0.3
108.04494	0.2
109.05248	0.3
109.07666	0.2
110.06036	100.0
110.97583	0.2
111.00817	0.4
111.04430	2.6
111.05569	1.2
111.06375	2.6
111.09194	3.2
111.28009	0.1
112.03995	0.3
116.98605	0.6
118.03485	0.2
119.01869	0.2
128.98598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02371	0.8
51.99548	0.7
53.00301	1.6
53.03702	1.0
53.03942	18.0
55.01867	1.9
55.05505	11.4
56.17128	0.6
56.96552	2.9
65.00620	0.9
65.03936	8.8
66.49120	1.0
67.05497	100.0
67.93552	1.5
68.05020	10.5
68.05820	1.9
68.45296	0.8
68.95293	1.1
69.03407	1.6
69.04547	9.3
69.07066	7.2
69.51293	6.6
71.94099	1.1
72.93787	4.4
77.99908	1.0
79.05483	22.6
80.05038	0.8
80.06261	1.0
81.03409	23.7
81.04508	1.2
81.05784	1.2
81.07047	40.9
82.03744	1.0
82.06566	7.7
82.07359	1.2
83.06078	2.1
86.00689	4.5
86.50579	4.2
87.00457	54.0
90.94815	1.8
91.05463	3.5
92.04984	1.9
93.04516	1.6
94.04185	4.0
94.07809	1.8
96.00977	13.1
98.51246	7.5
107.04961	1.2
107.08577	3.3
108.95861	1.7
109.02868	6.2
109.06509	18.7
109.07630	13.3
109.10145	43.7
110.06027	22.9
110.07153	37.8
110.10490	1.5
111.04492	0.9
111.96853	2.9
112.96675	1.2
113.96388	24.2
120.25793	0.7
125.59165	0.7
129.97867	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	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.76755	0.3
51.02374	1.1
53.00294	0.7
53.03940	14.3
54.03458	0.6
55.01868	3.8
55.05507	5.5
55.93518	0.4
56.05023	1.0
56.96561	1.9
62.99060	1.4
65.00613	1.4
65.03936	7.5
66.03432	0.4
67.02976	0.9
67.04250	1.7
67.05496	41.7
67.93575	0.8
68.05022	13.5
68.95278	0.7
69.03446	0.4
69.04547	3.4
69.07058	2.5
69.45223	1.5
69.45646	1.5
71.94094	0.4
72.93783	1.1
75.05863	0.3
77.99920	0.6
79.05486	21.6
80.05009	1.9
80.05814	0.7
80.06260	0.6
81.03412	25.9
81.04473	0.8
81.07047	27.7
82.05290	0.9
82.06104	0.7
82.06573	10.0
82.31444	0.4
83.06091	1.5
86.00687	1.8
86.50598	0.9
87.00458	10.1
90.94822	0.7
91.05473	8.9
92.05003	2.5
93.04523	1.2
94.04186	5.3
94.05293	0.3
94.07814	1.1
95.04978	1.0
95.06066	0.5
96.00967	2.3
98.51244	1.4
107.04952	1.5
107.08582	1.2
108.95851	0.8
109.02864	6.4
109.06507	100.0
109.07613	23.1
109.10142	14.8
109.10900	0.7
109.90488	0.3
110.06029	14.1
110.07136	12.2
110.10496	0.5
111.04435	0.7
111.96873	0.9
112.96688	0.7
113.95700	0.4
113.96399	5.0
119.06015	0.3
129.97881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01585	0.4
51.02373	1.5
51.83020	0.2
53.03940	9.0
53.97689	0.2
54.04286	0.3
55.01865	2.3
56.96560	2.8
62.99054	0.2
65.03922	0.6
67.02986	0.2
67.04236	2.8
67.05485	0.5
77.00770	0.6
77.03920	1.8
77.77895	0.2
78.04710	0.2
79.01859	0.2
79.05484	16.4
80.05005	6.0
80.05795	0.4
81.03410	1.3
81.04509	0.2
84.99261	0.2
91.05480	2.3
92.03727	0.3
93.05767	0.5
95.04958	19.9
96.04524	0.3
96.05299	0.6
98.21135	1.3
98.97556	0.6
100.02497	0.2
105.04500	3.9
105.07039	0.5
106.06557	0.6
106.96606	0.2
107.04942	100.0
107.06094	3.4
107.08568	1.0
108.04463	1.0
108.05305	2.8
108.08104	7.0
109.06503	0.5
110.06075	0.3
110.53884	0.2
116.98601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03947	5.8
55.01869	1.4
65.03941	13.9
66.04272	0.4
67.04247	0.5
67.05508	3.2
69.49387	3.1
69.93017	0.3
70.84844	0.4
77.03922	1.1
79.05495	24.2
80.05016	2.9
80.05818	0.4
81.03400	0.9
91.05480	100.0
92.05788	2.1
92.06300	2.9
95.04974	11.5
97.34522	0.4
98.20704	0.6
103.05442	1.2
105.04533	1.7
105.07030	28.8
106.06604	0.4
106.07360	0.9
107.04955	40.1
107.06123	1.4
107.08591	24.0
108.04513	0.9
108.05337	0.9
108.08144	0.5
108.08907	0.6
109.06519	15.2
110.06832	0.5
119.06063	4.7
124.05284	0.6
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
51.02385	0.8
53.03947	5.8
55.01869	1.4
65.03941	13.9
66.04272	0.4
67.04247	0.5
67.05508	3.2
69.49387	3.1
69.93017	0.3
70.84844	0.4
77.03922	1.1
79.05495	24.2
80.05016	2.9
80.05818	0.4
81.03400	0.9
91.05480	100.0
92.05788	2.1
92.06300	2.9
95.04974	11.5
97.34522	0.4
98.20704	0.6
103.05442	1.2
105.04533	1.7
105.07030	28.8
106.06604	0.4
106.07360	0.9
107.04955	40.1
107.06123	1.4
107.08591	24.0
108.04513	0.9
108.05337	0.9
108.08144	0.5
108.08907	0.6
109.06519	15.2
110.06832	0.5
119.06063	4.7
124.05284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01603	0.9
51.02381	2.0
53.03944	10.1
55.01862	2.6
59.08659	0.7
65.03938	15.6
66.03453	1.3
67.04253	5.2
67.05495	3.8
71.17184	1.3
77.03923	1.7
79.01842	0.8
79.05488	36.5
80.05008	11.3
80.05800	0.8
81.03406	1.7
91.05474	100.0
92.03710	0.7
92.05778	1.6
92.06272	2.5
95.04962	18.7
95.05553	1.3
96.04510	1.3
100.80843	0.7
105.04489	4.9
105.07025	27.2
106.06553	4.5
106.07210	0.9
107.04948	76.9
107.06007	8.2
107.07368	1.8
107.08582	26.0
108.04484	2.3
108.05642	3.3
108.08109	1.9
108.08843	0.9
109.06510	13.8
119.06033	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	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03944	6.2
55.01861	1.7
55.05502	0.6
56.96559	0.8
59.17576	0.4
64.32848	0.4
65.03935	15.9
66.03436	0.6
66.04275	0.7
67.04236	1.7
67.05504	4.0
71.59495	0.7
77.03921	1.3
78.69789	0.4
79.01828	0.5
79.05486	36.2
80.05008	8.2
80.05799	0.8
81.03399	1.3
91.05472	100.0
92.05780	1.3
92.06263	3.3
92.11154	0.5
93.05784	0.5
95.04960	17.7
96.04483	0.7
96.05328	0.5
103.05463	1.0
105.04536	3.1
105.07022	27.5
106.06546	0.9
106.07330	0.5
107.04945	63.3
107.05985	4.2
107.08581	26.4
108.04464	2.0
108.05383	1.6
108.08107	1.2
108.08881	0.7
109.06507	15.5
110.06877	0.6
119.06067	4.3
124.05202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03939	3.8
55.01863	1.2
63.08209	0.4
65.03935	15.8
65.73672	0.3
66.04266	0.4
67.04225	0.6
67.05502	2.5
69.39778	2.8
69.40195	1.2
77.03915	0.8
79.05486	21.6
80.05011	1.7
80.05822	0.5
81.03442	0.6
83.20929	0.4
87.26900	0.4
91.05473	100.0
92.05783	1.2
92.06271	3.6
95.04958	8.0
103.05436	0.5
103.40044	0.4
105.04530	1.3
105.07022	28.2
105.24334	0.4
106.04166	0.5
106.06526	0.5
106.07346	0.7
107.04942	25.5
107.06116	0.9
107.08585	25.0
107.55480	0.4
108.08937	0.5
109.06506	15.9
111.59568	0.4
119.06065	4.9
124.05199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56376	0.1
58.06592	6.8
59.07376	1.8
60.08157	60.4
61.08501	0.6
62.92981	0.2
69.77027	0.2
71.09808	0.3
71.10122	0.2
79.05498	0.8
87.04471	0.3
87.50501	0.2
95.04956	0.4
103.05479	0.7
104.10732	100.0
105.07015	1.6
105.11037	1.6
118.13675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	7.2
58.88146	0.3
59.07372	1.9
60.08156	60.7
61.08479	0.6
70.72948	1.0
79.05490	0.5
103.05482	0.5
104.10729	100.0
105.07009	0.7
105.11072	1.4
106.32364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	5.2
58.36732	0.1
59.07381	1.6
60.08160	51.7
61.08498	0.4
62.92986	0.1
70.72530	0.2
73.06805	0.1
75.53660	0.1
79.02909	0.1
79.05485	0.2
81.17236	0.1
86.09675	0.1
87.04446	0.1
88.07624	0.2
95.04967	0.2
103.05494	0.1
104.10738	100.0
105.07023	0.5
105.11060	1.2
108.17296	0.1
119.87135	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	1.6
53.03941	12.4
55.01878	0.6
56.96527	0.6
65.03929	2.4
68.65446	0.7
70.10984	3.0
77.03903	3.1
78.04710	1.9
79.05487	55.3
80.05814	0.8
81.03411	1.0
91.05440	0.7
91.48225	0.8
94.27396	0.6
95.04961	31.6
100.48695	1.2
103.05459	36.5
104.05831	0.8
104.90821	1.7
105.04523	7.0
105.07020	100.0
106.06565	0.7
106.07368	2.2
118.06535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01596	0.7
51.02367	2.0
53.03940	9.9
55.01854	0.7
65.27277	0.2
70.95856	0.6
77.03910	3.0
79.05481	55.7
80.05827	0.9
81.03407	1.1
83.19323	0.2
90.79877	0.2
95.04955	26.5
96.05292	0.5
101.81130	0.2
103.05453	39.3
104.05794	0.8
105.04525	4.8
105.07014	100.0
106.07359	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	1056.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	1.9
79.01853	0.7
79.05481	13.5
79.88081	0.3
81.03407	6.3
83.01303	0.5
85.02896	0.6
85.05244	0.3
91.05470	3.9
92.05784	0.3
95.04962	6.4
97.02885	0.9
99.04453	0.4
103.05453	9.7
105.04524	1.2
105.07014	100.0
106.07375	0.7
106.28415	0.3
109.02856	2.8
117.03351	0.4
118.06533	0.3
119.04894	0.4
125.02319	0.5
127.03897	1.6
131.04828	0.3
133.02863	0.5
134.50874	0.3
135.04356	0.4
136.82162	0.3
143.03368	0.9
145.02824	0.4
147.04375	0.5
153.01811	6.1
153.02985	0.6
161.02307	0.6
163.03865	1.6
171.04503	0.4
173.02339	0.3
175.03903	0.8
176.98550	0.3
177.05440	0.4
179.03397	0.8
187.03900	0.5
189.01857	1.2
191.03296	1.7
199.03857	0.3
201.01849	0.5
203.03400	0.8
207.02887	0.9
207.06581	0.7
213.01830	0.5
214.04897	0.3
215.03473	0.9
217.01292	2.8
218.24011	0.3
219.02882	2.3
229.01367	0.6
230.04410	0.9
231.02792	2.4
235.02284	3.0
241.01263	0.5
242.04486	0.4
243.02844	7.2
245.00784	2.1
246.03944	2.0
247.02313	1.8
256.02432	0.6
257.00766	0.7
257.08066	0.9
258.03986	0.8
259.02368	2.8
260.05548	0.4
261.03860	1.1
263.01825	2.0
271.02484	0.4
273.00235	2.2
274.03461	1.8
275.01740	1.5
275.04279	2.6
276.05002	8.2
284.01901	0.6
285.00226	0.6
286.00879	0.6
286.03607	0.7
287.01627	0.8
287.04349	0.3
288.04990	13.6
289.05615	0.5
291.01309	0.8
300.05096	0.4
300.99646	0.9
301.02249	1.0
302.02921	12.7
314.02908	9.1
315.03418	0.7
319.00616	1.7
320.04025	0.7
321.07648	0.3
326.03009	0.3
328.04535	0.5
330.02539	0.3
332.03937	0.4
332.09177	0.3
337.01810	6.9
378.09659	3.6
379.02997	0.4
379.10529	1.4
380.11197	7.0
388.07996	1.1
404.07516	1.2
406.09137	16.8
407.02902	0.5
407.09222	0.4
424.09927	0.8
445.03909	0.3
463.05042	4.1
481.05991	1.5
532.12219	0.7
550.13464	0.6
781.94733	0.4
782.08179	4.9
868.13324	1.0
886.14551	11.7
887.14185	0.4
939.54156	0.3
1056.16711	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	5.1
59.07370	1.6
60.08154	51.0
61.08492	0.3
69.03423	0.6
71.11638	0.1
86.06052	0.3
86.09689	0.3
87.04455	1.1
88.07609	0.1
98.21190	0.1
101.41657	0.0
104.10725	100.0
105.10406	0.1
105.11044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00644	0.6
76.02222	51.7
76.03985	2.1
78.65539	0.5
79.05059	0.9
79.05486	10.8
80.04996	0.9
81.03410	26.0
81.07050	16.2
83.04965	1.9
83.06083	1.0
83.08612	5.4
84.04491	12.0
85.02879	1.5
85.04022	1.5
85.06509	0.5
86.00626	0.5
86.99027	1.4
88.02170	1.0
91.05472	11.3
91.99301	0.6
93.07036	13.2
95.04958	10.0
95.08592	11.0
97.02886	2.2
97.06567	0.8
97.10130	1.3
100.02212	0.7
104.10729	1.4
105.07032	8.2
107.04924	2.9
107.08590	5.7
109.06506	1.2
109.10152	4.6
111.04480	0.7
111.08047	2.3
114.03806	0.6
115.05483	0.7
116.01669	13.0
117.06994	1.9
119.08566	5.9
121.06447	1.0
121.10131	6.1
123.08028	1.1
123.11665	1.4
124.02182	0.5
129.07021	3.4
130.04990	8.3
131.04492	0.9
131.08580	5.1
133.06485	1.1
133.10117	3.0
135.11655	2.6
137.09558	0.8
137.13206	0.5
141.28677	0.5
142.03200	7.1
143.08432	0.5
144.01132	8.4
145.06091	0.7
145.10132	2.4
147.08026	1.2
147.11678	3.1
149.09615	1.3
149.13249	1.5
157.10141	2.8
159.11667	2.0
161.09613	0.6
161.13252	0.7
162.02184	26.2
163.11150	0.6
163.14783	1.1
165.12689	0.7
170.02696	2.8
173.13245	1.1
175.11156	2.9
175.14803	1.0
177.03294	2.9
179.04837	49.5
185.03749	1.0
187.05330	1.7
187.14771	0.7
193.12206	6.9
199.05443	0.6
211.13361	1.0
215.04921	1.2
227.12747	0.7
231.04201	0.7
233.05887	14.2
243.21132	1.6
245.05901	2.9
249.14803	0.7
261.22107	3.7
267.15894	25.6
291.06415	1.9
306.07791	0.9
308.09076	100.0
309.09201	0.7
317.24545	0.9
335.25784	19.3
386.09793	0.6
452.13080	0.8
453.33728	1.2
470.14267	1.1
471.34177	0.8
527.29803	1.0
527.37274	10.6
545.38458	6.6
689.84949	0.6
852.47467	2.5
988.32526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.3
56.05033	18.8
57.04546	3.1
58.99857	2.7
59.06121	49.1
59.99923	1.8
60.04521	12.4
65.12518	1.8
69.04541	1.8
71.17168	4.8
71.44662	1.8
74.06072	2.5
80.52674	2.8
82.01425	2.8
83.01527	5.3
83.04993	2.7
83.05613	2.1
83.06101	4.4
84.01152	2.2
84.04496	4.9
100.02479	14.2
100.70915	2.0
101.00868	13.8
101.02540	24.6
101.07137	9.8
102.02224	10.2
118.03515	7.7
118.37371	2.2
119.01910	100.0
119.03618	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.5
51.02380	4.8
53.03703	1.5
53.03943	27.4
55.01867	1.6
56.05034	5.0
56.96544	2.2
57.03417	2.1
57.04546	1.1
57.05365	4.2
58.02951	1.1
58.06596	5.8
59.06114	8.1
60.04519	2.8
60.08154	1.3
60.95850	1.7
62.05779	0.9
62.06083	11.5
68.05037	1.2
69.07085	0.7
70.92487	1.8
73.07674	3.1
75.05593	2.4
77.03918	4.5
79.05210	0.8
81.03399	3.2
85.02879	3.1
85.04835	0.8
85.07653	3.0
86.06055	8.9
87.04449	2.7
95.04961	60.4
96.08591	0.7
99.81583	0.7
102.04671	6.9
103.04009	5.2
103.05457	100.0
103.08691	22.5
104.05795	1.9
104.10737	2.8
104.63216	0.7
105.04507	10.9
107.33475	0.9
120.97874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.2
53.03697	1.6
53.03938	20.0
53.72063	0.9
55.01846	1.0
56.05020	2.2
56.96558	11.1
57.03413	1.2
57.05363	1.6
58.06592	1.7
59.06116	10.3
60.04504	2.7
60.08147	1.6
60.95847	2.2
62.06083	1.0
63.71696	0.9
69.27921	9.7
73.71061	0.8
75.10816	0.8
77.03915	4.3
79.01849	0.9
81.03404	1.6
85.02904	1.4
86.06042	2.2
88.02374	2.2
88.52531	1.4
95.04955	43.8
102.04681	3.2
103.05455	100.0
103.08687	3.1
104.05774	1.8
104.10712	2.1
105.04503	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	1032.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00665	0.8
76.02225	46.7
76.03988	1.8
79.05487	13.7
80.05033	0.7
81.03416	24.2
81.07053	14.6
83.04966	2.2
83.06093	0.8
83.08622	5.7
84.04025	1.0
84.04496	11.9
85.02922	1.1
85.04028	1.5
86.09711	0.9
86.99030	1.9
88.02222	0.8
91.05473	12.3
93.07040	13.3
95.04974	8.3
95.08607	10.2
97.02883	1.3
97.06511	1.1
97.10181	0.9
99.08097	0.5
104.10719	1.3
105.07020	7.6
107.04950	2.2
107.08596	7.3
109.06509	1.3
109.10139	4.4
111.04459	0.7
111.08054	2.9
112.03925	0.7
116.01674	13.2
117.06999	1.9
119.08579	6.3
121.06454	0.8
121.10127	7.0
123.08046	1.0
123.11685	1.5
125.09599	0.6
126.93967	0.5
129.07062	3.6
130.04990	8.6
131.08557	5.4
131.60832	0.5
133.06453	0.7
133.10135	4.5
135.11702	4.3
137.09624	0.6
137.13229	0.6
142.03209	6.5
142.07748	0.7
144.01146	7.5
145.06134	0.8
145.10083	2.8
147.08015	1.0
147.11713	3.1
149.09601	1.5
149.13229	1.5
157.10121	3.5
159.11668	2.2
161.13240	1.6
161.22772	0.5
162.02196	25.8
163.14784	0.8
165.12686	0.7
170.02708	2.4
173.13301	1.7
175.11179	2.3
177.03299	2.6
179.04848	51.2
183.39989	0.6
184.07301	1.8
185.03801	0.8
187.05356	1.7
187.14864	0.7
189.11194	0.9
193.12198	5.7
199.05219	0.7
209.73776	0.5
215.04907	2.5
227.12759	1.0
233.05894	11.7
243.21100	1.9
245.05960	2.9
249.14729	1.3
261.22134	5.5
267.15900	25.0
268.16376	0.8
290.07986	0.7
291.06458	2.1
301.25336	1.3
308.09085	100.0
309.09326	1.3
317.24426	1.1
335.25797	25.3
453.33661	1.3
470.14230	1.1
527.37354	12.7
545.38385	6.2
569.37683	0.8
656.41351	0.8
834.44751	1.2
852.45978	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	1007.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59560	1.8
84.96030	2.3
86.80782	1.3
95.01266	1.3
97.02807	1.1
98.97562	32.0
105.07003	1.4
110.97550	3.6
112.99123	4.7
113.62975	1.1
116.98602	28.2
128.97720	1.9
128.98573	10.4
131.00154	18.1
134.99644	15.3
140.00195	2.5
140.98599	1.8
143.00151	7.9
146.99615	15.7
149.01198	34.2
153.00653	1.5
154.01726	1.4
158.99614	16.8
161.01204	12.6
162.99184	1.6
165.00728	3.5
167.02269	13.4
170.01244	1.5
170.99634	21.0
172.02754	4.2
173.01135	6.1
177.00694	32.1
182.99622	1.3
185.01173	3.7
189.00682	35.0
189.02335	2.6
191.02228	9.1
194.99846	1.9
195.01706	5.0
199.02748	4.5
200.02283	3.2
201.00700	5.9
203.02286	9.7
207.01720	3.5
209.01068	1.4
212.02295	5.0
213.00650	4.8
215.02225	1.7
217.03841	4.9
219.01761	15.4
227.02264	2.4
231.01678	4.9
233.03226	3.1
237.02776	10.6
242.03491	1.9
260.04309	1.8
261.02835	17.6
275.04312	4.9
279.03848	21.7
291.03940	3.3
293.05392	34.9
297.05011	9.1
302.05548	4.1
309.04813	3.2
311.06418	15.0
316.07092	2.6
317.17810	18.5
320.06680	1.6
321.04886	67.5
322.90369	1.3
334.08191	3.5
335.18948	10.3
339.05957	8.8
358.20203	1.4
362.07617	6.9
381.07086	6.5
399.08014	4.4
437.09622	21.1
453.08969	2.7
455.10663	43.0
473.11926	1.7
539.25226	9.0
553.26904	7.8
659.28809	2.8
677.70459	1.5
715.32043	100.0
716.31738	3.7
746.74396	1.4
861.14581	1.6
1007.51953	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	999.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80599	0.9
71.01250	5.3
72.99197	0.5
73.02824	0.8
78.54784	0.3
78.95765	0.4
79.95605	14.9
80.02546	0.5
80.96387	6.7
81.03338	0.7
83.01252	0.6
83.04904	1.5
85.02839	1.1
86.98979	1.1
87.00742	0.8
89.02317	3.1
92.92714	0.4
94.92393	1.3
95.01273	0.5
95.04878	0.4
96.95889	15.9
97.02839	0.7
98.95452	0.6
101.02324	3.7
107.91573	0.3
109.06476	1.0
111.92818	0.8
112.93613	100.0
113.02319	1.6
119.03352	0.8
119.60352	0.4
122.97441	0.3
123.00752	0.6
125.02352	1.5
148.03838	0.3
161.04448	0.5
163.11191	1.6
165.12756	0.6
169.01366	0.7
171.10126	0.4
179.05513	0.5
181.12320	0.4
197.11766	1.7
203.42157	0.3
207.10202	1.1
209.11769	17.9
210.12056	0.7
211.13419	0.4
217.08975	1.1
221.06570	1.1
227.12822	1.1
235.08180	0.5
265.57159	0.3
266.54074	0.4
273.00519	0.4
277.21716	8.2
278.22159	0.4
291.19559	0.6
293.21225	0.6
300.99921	0.8
309.20667	2.8
341.07825	0.4
397.13547	1.2
402.58655	0.4
415.14688	0.7
526.48218	0.4
548.10846	0.4
735.12762	0.4
856.16791	0.5
981.44861	0.8
999.42963	86.5
1000.43396	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	997.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22397	2.0
69.59077	18.0
69.70988	2.2
71.01258	6.9
78.75948	2.7
79.95602	3.4
87.00733	5.6
89.02304	4.5
91.15825	2.6
96.95869	8.9
98.20618	3.4
101.02315	3.3
102.28574	2.4
110.22070	2.3
112.93589	2.7
121.02829	3.9
123.00804	3.8
125.02304	7.1
132.04451	4.8
136.07600	3.7
169.01326	14.1
200.09528	3.4
211.08716	9.2
213.10191	4.2
214.10942	3.1
215.11873	25.1
217.01546	3.4
223.08659	3.1
224.09459	9.2
225.06618	5.0
226.07137	3.4
227.08220	3.3
227.11914	9.5
229.13347	16.3
232.75417	3.0
237.06718	3.0
237.10196	6.2
239.08160	30.6
239.11888	22.6
240.06624	4.1
241.09898	5.1
243.11238	3.5
247.08957	3.3
251.08208	8.3
252.08940	15.2
253.09741	5.6
256.12067	5.2
257.12918	64.7
262.07346	4.5
263.08215	6.3
265.06223	4.6
265.09802	18.2
267.07861	5.2
267.11380	53.7
268.11621	5.5
269.13104	12.5
273.00134	2.7
273.06409	3.1
275.08221	12.6
277.06857	3.8
277.09784	15.0
278.07004	3.5
279.07666	8.2
281.05942	3.1
291.07822	8.7
293.09293	40.6
295.10815	40.2
300.99973	7.9
306.06427	5.2
311.10251	25.4
313.12024	6.9
321.08780	12.8
335.10580	4.0
337.08289	6.1
340.93542	2.4
353.11765	3.3
401.08719	4.5
413.13269	3.8
503.17667	3.4
533.19098	3.2
535.19849	4.0
553.35657	2.8
577.21173	3.7
743.25940	4.5
759.29590	13.3
785.26312	30.4
786.26697	3.8
817.29828	8.0
821.30096	4.3
835.30402	29.0
836.30756	5.9
875.29608	3.8
877.32294	5.3
905.31250	25.7
906.30896	5.1
907.33337	4.3
937.33673	33.0
938.33759	5.8
947.31555	13.0
965.32990	100.0
966.33203	20.3
979.35480	4.6
997.35492	44.6
998.35712	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	997.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22739	3.2
71.01247	0.4
77.17266	0.2
92.17978	0.3
95.01252	1.8
99.00817	0.3
105.79788	0.3
107.01286	0.7
108.02039	0.4
109.02917	0.3
115.05460	0.5
117.03323	1.4
119.04932	1.0
121.02866	0.6
123.00780	2.7
123.04403	0.3
124.01500	0.7
125.02351	4.4
129.03316	0.7
130.04132	0.3
131.04924	0.8
132.02045	0.8
133.02921	0.6
137.02318	0.5
141.03391	0.3
143.01291	1.2
143.04926	0.4
144.02060	0.7
145.02844	4.3
146.03636	0.5
147.00790	0.6
147.04388	1.9
148.01534	1.0
149.02328	0.8
149.17204	0.3
151.00291	0.5
152.01056	0.3
157.02820	1.8
158.03653	0.6
159.04437	2.7
160.01569	1.8
161.02345	2.4
162.03264	0.4
163.00287	0.7
163.03874	1.9
164.01065	0.5
165.01881	0.4
166.99728	0.5
169.01340	2.9
171.00783	1.2
171.04414	0.3
172.01570	1.6
173.02353	4.6
174.03093	1.5
175.00319	0.7
175.03911	3.9
176.01093	1.6
177.01846	2.2
177.05414	0.4
178.99767	0.3
179.03476	0.6
185.02359	4.7
186.03061	0.3
187.00313	1.2
187.03938	1.6
188.01112	2.8
189.01823	3.4
189.05501	0.4
190.02603	1.6
190.99796	1.0
191.03380	2.1
192.00586	0.7
193.01392	0.5
199.00316	1.2
200.01039	2.2
201.01851	9.6
202.02551	1.6
202.99799	0.3
203.03441	5.4
204.00591	1.5
205.01358	4.2
205.05029	0.7
206.01959	0.4
207.02824	0.5
213.01874	1.5
214.02689	0.6
214.99754	1.2
215.03532	0.7
216.00604	3.1
216.24084	0.3
217.01376	3.7
217.04970	0.7
218.01979	1.0
219.02950	1.8
220.03639	0.4
226.99805	1.8
228.00618	2.2
229.01363	12.9
230.01987	1.3
230.99260	1.2
231.02928	4.6
232.00023	2.4
233.00746	0.6
233.04480	1.8
235.02550	0.5
242.99258	1.2
243.02913	1.2
244.00044	2.3
245.00874	11.1
246.01575	1.6
247.02443	7.0
247.55016	0.3
248.03232	1.9
249.03975	4.2
254.99307	0.6
257.00870	7.0
258.01633	2.1
259.02435	2.4
259.99637	0.8
260.03253	0.3
261.00418	0.6
261.04013	4.6
261.06598	0.6
262.04700	0.5
263.02020	0.7
264.02670	2.8
270.98834	0.7
271.99570	2.3
273.00351	5.7
274.01157	2.5
275.01962	20.6
276.02359	1.3
279.07770	0.3
283.99597	3.5
285.03915	0.6
287.01959	5.5
287.99063	0.4
288.02658	0.8
290.00671	0.6
291.01443	1.2
291.04434	0.4
293.09296	0.5
298.98352	0.6
299.99100	4.5
300.99878	100.0
302.00201	6.3
303.01453	1.8
304.02267	1.5
305.02966	1.9
314.00607	0.7
315.01273	0.4
319.04617	0.6
329.03040	1.1
331.00943	9.6
331.06772	0.7
332.01196	0.5
335.04074	0.4
337.05566	4.0
338.05679	0.4
349.02054	0.9
363.03555	29.3
364.03979	1.8
381.04706	2.1
419.06354	0.8
437.07144	0.7
445.04480	0.4
452.02853	0.5
463.05093	5.5
464.05362	0.5
481.06491	0.7
525.08801	0.4
589.07849	0.4
615.05841	0.5
633.07281	72.9
634.07660	8.1
642.56476	0.4
771.28925	0.8
803.31421	2.0
827.09692	0.4
835.33331	0.8
997.11731	4.9
998.11169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	0.3
70.84316	0.5
71.01250	0.6
87.00758	0.3
95.01286	1.0
95.01862	0.2
96.95908	0.3
105.03305	0.2
107.01274	0.5
109.02819	0.2
111.00747	0.2
113.02275	0.2
113.63165	0.2
117.03349	1.1
119.04904	0.6
121.02810	0.4
123.00769	1.7
125.02328	4.2
128.13326	0.2
128.96397	0.2
129.03358	0.5
131.04919	0.4
132.02086	0.3
133.02835	0.7
135.04370	0.3
137.02327	0.3
139.00262	0.2
143.01227	0.2
143.04645	0.2
145.02847	3.1
146.03648	0.3
147.00761	0.3
147.04425	1.3
148.01570	0.3
149.02351	0.4
151.00282	0.3
157.02869	1.2
158.03638	0.3
159.04431	0.8
160.01607	0.5
160.03873	0.2
161.02359	2.3
162.03069	0.4
163.00275	0.7
163.03929	1.6
165.01851	0.4
166.99741	0.5
168.00537	0.2
169.01340	4.0
170.01591	0.2
171.00797	0.5
172.01547	0.3
173.02362	4.3
173.06120	0.2
174.03134	1.1
175.00224	0.2
175.03909	2.3
176.01070	0.6
177.01869	1.3
177.05479	0.3
179.03490	0.4
185.02362	3.7
186.03026	0.2
187.00255	0.7
187.03917	0.8
188.01099	0.5
189.01834	3.2
189.05473	0.4
190.02663	1.2
190.99727	0.4
191.03374	1.4
192.00601	0.2
193.01355	0.6
197.06030	0.2
199.00233	0.9
199.03931	0.4
200.01105	1.0
201.01860	8.3
202.02458	1.0
203.03444	3.4
204.00528	0.3
205.01367	0.7
205.04974	0.4
207.02844	0.2
213.01851	1.0
213.05482	0.2
214.02570	0.4
214.99817	0.6
215.03441	0.6
216.00548	1.4
217.01358	4.2
217.04942	0.5
218.02071	0.8
219.02884	1.2
220.03801	0.2
226.99782	1.4
227.03484	0.6
228.00638	1.3
229.01366	9.5
230.02036	1.0
230.99335	0.3
231.02943	2.5
232.00060	0.3
232.03580	0.3
233.00873	0.3
233.04506	2.3
234.05170	0.3
235.02516	0.2
239.03424	0.4
239.08171	0.4
242.02202	0.3
242.99440	1.0
243.02959	0.7
244.00084	2.7
245.00880	7.3
246.01454	1.3
247.02437	1.6
248.03197	0.5
249.04021	3.5
253.09659	0.3
254.99344	0.6
255.02937	0.4
257.00897	5.4
258.01547	1.7
259.02469	3.2
260.03232	0.5
261.00305	0.3
261.04047	3.7
267.02988	0.4
267.11264	0.2
269.04404	0.3
270.98834	1.2
271.02325	0.3
271.99606	1.3
273.00415	9.2
274.01196	2.6
275.01962	15.2
276.02304	1.0
277.03519	0.6
277.09772	0.3
278.06888	0.2
279.07690	0.9
283.02454	0.3
283.99597	3.0
284.02509	0.3
285.00180	0.4
285.03873	0.4
287.01999	2.9
287.04996	0.3
288.02600	0.3
289.00018	0.3
289.03500	0.4
290.00558	0.4
291.01569	0.5
293.06635	0.7
293.09488	0.4
295.10690	0.3
297.00415	0.2
298.01257	0.2
298.98334	1.0
299.01685	0.3
299.99097	6.3
300.99878	100.0
302.00211	5.1
302.03647	0.3
303.01581	0.9
303.04910	0.3
304.01935	0.4
305.02997	3.3
306.07620	0.4
311.01935	0.5
313.03131	0.4
314.00690	0.4
315.01422	1.7
317.03064	0.4
319.00986	0.3
319.04568	0.7
321.08807	2.2
329.03003	0.8
331.00919	1.3
337.05518	0.7
339.09769	1.0
340.99292	0.2
341.03125	0.3
343.00784	1.1
349.02069	1.0
363.03568	4.0
373.05688	0.2
381.04633	5.9
382.04810	0.3
385.02002	0.9
401.05215	0.4
419.06241	1.2
437.07339	0.7
445.04114	2.7
447.05524	0.5
449.06927	0.3
463.05130	4.0
464.05502	0.3
493.06149	1.2
498.82199	0.2
525.08875	9.2
526.09222	0.6
615.05865	2.2
617.68579	0.2
677.09729	0.3
783.09796	0.2
795.06726	1.0
801.12476	0.2
803.27838	1.5
826.94025	0.4
827.09406	6.4
828.09808	0.8
835.30157	0.2
845.29022	0.2
869.00085	0.2
905.31354	0.3
953.12628	0.3
965.08807	1.9
965.29541	0.3
966.09412	0.4
996.90808	0.4
997.11578	7.4
998.11664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36004	4.4
69.36429	2.1
80.61261	0.7
83.01249	2.0
91.01788	1.3
93.03300	1.0
95.01270	1.4
103.01758	0.8
105.03322	1.2
108.02065	0.9
109.02794	0.8
111.00760	6.7
115.01773	0.9
117.03346	3.9
119.01206	0.8
119.04900	1.2
121.02823	2.1
123.00829	3.7
124.01582	0.9
125.02350	3.7
127.00227	1.7
129.03294	0.9
131.01280	1.8
132.02060	1.2
133.02887	4.4
135.00757	1.0
135.04430	1.5
137.02336	2.5
139.00259	8.2
143.01302	1.5
145.02867	9.0
147.00792	3.3
147.04407	3.0
148.01558	2.1
149.02339	4.1
154.99744	1.9
157.02827	1.7
159.00769	1.9
159.04381	1.1
160.01553	2.0
161.02344	11.2
162.03073	1.3
163.00246	4.9
163.03883	4.2
164.01039	1.2
165.01808	1.0
166.99855	1.7
169.01309	4.2
171.00797	2.5
172.01593	1.3
173.02335	8.4
174.03078	0.9
175.00224	2.2
175.03920	2.8
176.01050	1.8
177.01860	8.0
178.99745	1.2
179.03404	1.0
182.99275	11.1
185.02364	3.3
187.00294	5.4
188.00983	1.5
189.01849	12.5
190.02599	3.6
190.99783	2.1
191.03441	6.8
192.00484	1.6
193.01357	3.1
194.99216	1.2
195.04456	0.8
199.00319	1.7
200.01045	1.5
201.01849	7.0
202.99863	3.8
203.03453	3.5
204.00537	1.4
205.01370	7.7
207.02899	1.7
209.00916	0.9
213.01854	1.6
214.99805	6.8
215.03201	1.1
216.00604	3.4
217.01358	14.4
218.02083	2.2
218.99304	1.3
219.02913	2.5
221.00871	1.6
222.01517	0.8
226.99817	2.3
227.03487	0.9
228.00568	1.1
229.01375	8.6
230.02060	0.9
230.99417	5.1
231.02922	3.6
232.00131	1.7
233.00804	5.6
235.02448	2.9
237.00238	1.0
242.99292	8.4
244.00073	4.1
245.00868	17.2
246.01472	2.3
246.98827	1.2
247.02464	6.4
248.03130	1.3
249.04013	2.9
254.99170	1.6
257.00867	7.0
257.77344	0.7
258.98785	4.0
259.99612	2.7
261.00375	15.0
262.00989	1.5
263.01953	13.8
270.98856	16.5
271.99432	3.0
273.00378	22.3
274.01105	4.4
274.98813	1.2
275.01956	13.7
276.02188	0.8
276.99805	2.7
277.03488	1.1
283.99677	2.7
286.98340	10.9
287.01947	2.1
287.98990	1.3
288.99915	19.8
289.03238	1.2
290.00494	2.4
291.01428	5.0
298.98340	26.7
299.99054	17.6
300.99881	100.0
302.00143	6.0
302.98029	1.4
303.01236	2.7
304.99414	3.1
305.03073	1.9
307.00974	6.5
314.97809	6.9
315.01215	1.1
315.98456	4.8
316.99365	39.0
317.99716	2.4
319.00726	1.2
321.02380	0.9
330.97296	1.4
331.00952	2.7
332.98822	5.0
347.00455	3.0
349.02029	4.8
405.04828	1.0
433.04285	1.4
451.05145	5.0
461.03738	1.0
463.04858	1.2
493.06219	1.6
615.06763	1.0
633.07306	2.0
707.06256	0.9
735.04596	1.8
751.04303	4.2
795.05865	1.5
809.05597	1.3
907.07947	1.1
932.05743	1.2
947.03729	1.4
964.09174	3.4
965.07062	2.2
979.07007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	2.4
71.56236	0.8
71.56614	0.6
72.99180	0.7
74.98973	23.1
79.95609	45.3
80.96391	11.5
85.02824	0.7
86.98980	0.6
88.98685	0.9
89.02317	1.6
96.95892	4.3
101.02319	1.1
112.93616	10.8
121.78815	0.6
125.02312	0.7
128.93138	1.4
138.95197	100.0
139.95450	0.6
152.17444	0.5
169.01360	0.5
197.11725	1.0
199.13419	0.6
203.05054	0.5
207.10214	0.8
214.74071	0.6
215.85880	0.5
229.09016	1.6
231.10622	0.8
255.23279	6.6
397.13345	1.4
861.47894	0.7
865.46716	4.0
866.46356	0.7
893.45819	5.5
894.45532	0.7
947.43732	2.0
975.43103	0.6
993.43829	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	990.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55762	2.7
82.29315	1.5
89.03844	2.4
95.01257	3.0
107.01254	2.3
109.02799	2.1
111.00755	2.5
117.03330	4.7
123.00794	4.3
125.02322	4.0
125.05109	1.6
127.32820	1.5
129.03362	1.9
131.01262	1.9
133.02824	3.1
133.90878	1.8
137.02359	2.5
143.01308	2.8
145.02846	8.0
148.00261	2.2
149.02263	2.8
160.01543	4.0
161.02333	10.9
163.00252	7.8
163.03883	7.9
165.01901	2.2
171.00816	3.9
173.02325	7.9
175.00221	2.4
175.03984	2.7
177.01820	7.8
185.02383	4.4
187.00259	6.6
188.01036	2.0
189.01863	14.3
190.02672	2.9
191.03377	9.5
200.01086	2.3
201.01854	9.2
202.02725	2.0
202.99797	2.1
203.03363	5.5
213.01923	2.8
214.99805	11.0
216.00458	6.4
217.01309	14.7
219.02803	3.9
226.99841	2.3
227.03409	2.9
228.00485	1.9
229.01433	13.9
231.02928	5.1
232.03673	2.2
241.01302	2.4
242.99271	9.4
244.00043	4.2
245.00906	27.9
247.02460	19.1
248.03116	3.3
249.04099	3.4
257.00909	6.5
258.98788	3.7
259.99475	4.9
261.00351	5.4
268.02679	2.0
269.00803	2.7
270.98849	32.0
271.99341	6.6
273.00366	41.3
274.01071	9.2
275.01941	16.0
283.99326	3.0
285.00275	4.6
286.98260	4.7
288.99612	2.6
291.01471	5.2
294.00427	4.1
296.02267	1.9
298.98331	44.5
299.99063	48.1
300.99875	100.0
302.00201	7.6
312.99905	5.5
314.03394	1.9
316.99353	7.9
321.99863	3.2
324.01523	2.8
337.99335	3.5
340.00949	22.4
358.01865	2.7
435.05881	2.1
461.03763	2.2
932.05988	8.2
950.07172	3.1
954.06104	3.2
972.07550	12.9
990.07513	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	988.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03303	4.7
70.32114	13.1
71.01268	5.9
88.03907	26.1
89.35589	3.7
109.53876	3.6
115.00252	12.6
119.50867	4.1
123.00746	13.3
125.02342	65.2
132.02032	4.3
132.02916	92.4
139.00285	3.7
143.01308	4.0
145.02824	7.6
149.02321	8.2
161.02350	13.1
164.04730	10.5
166.99759	20.2
169.01332	88.5
173.02321	8.5
189.01878	13.2
191.03474	5.7
199.00252	4.3
201.01862	12.2
214.99821	5.1
217.01338	20.6
226.99716	6.4
229.01410	12.2
242.99274	10.7
245.00890	31.3
247.02480	11.8
248.02823	4.3
257.00851	5.3
261.00354	8.7
270.98795	27.9
271.99594	4.7
273.00424	44.9
274.01096	6.7
275.01910	9.9
298.98294	47.5
299.99164	20.3
300.99792	45.2
316.99335	7.7
338.08749	47.4
377.05341	5.3
389.05063	4.6
405.04706	11.8
433.04184	14.1
443.02484	15.9
445.04181	53.0
461.03558	87.6
462.03964	6.3
463.05164	38.4
522.95929	4.7
569.05682	8.3
603.05804	5.4
613.04730	100.0
614.05139	9.3
631.05560	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03355	0.2
71.01256	2.6
72.99197	0.2
73.02858	0.4
80.02592	0.2
81.03375	0.2
83.01308	0.3
83.04939	0.3
85.02831	0.6
87.00813	0.5
89.02318	2.3
93.06995	0.2
95.01305	0.3
95.04986	0.1
97.02832	0.6
97.06519	0.1
98.03656	0.2
98.19816	0.2
99.00792	0.2
99.04446	0.1
101.02325	2.5
107.08549	0.2
109.02858	0.1
109.06524	0.4
111.04441	0.2
111.08047	1.5
111.08759	0.1
113.02320	1.1
113.05946	0.1
113.09665	0.1
115.03876	0.1
119.03413	0.7
123.00764	0.1
123.08116	0.2
125.02344	1.1
125.06022	0.1
125.09598	0.7
127.07603	0.3
127.11174	1.2
129.09167	0.3
131.03400	0.2
137.06061	0.2
137.09665	0.4
138.06818	0.2
139.07602	0.3
141.09085	0.2
143.03423	0.3
149.09647	0.3
151.03937	0.2
151.07581	0.2
151.11189	0.8
152.08380	0.1
153.09157	0.7
153.12752	3.8
154.13092	0.2
155.10669	0.9
161.04526	0.6
163.07619	0.1
163.11310	0.3
165.12793	0.5
166.09962	0.1
167.10693	1.5
169.01401	0.1
169.12260	0.8
179.05556	0.6
179.10660	0.5
179.14337	1.6
181.12257	2.9
182.12553	0.1
182.86540	0.1
183.13818	0.1
189.12892	0.1
191.14397	0.1
193.15898	0.6
194.13315	0.1
197.11754	2.0
199.13353	0.8
207.13849	1.6
209.11778	0.2
209.15465	0.3
213.14960	0.2
215.12828	1.3
217.15942	0.3
219.17662	0.2
226.10027	0.1
226.11948	0.5
227.12823	0.9
228.13615	0.6
229.19666	0.2
229.32719	0.1
231.17577	0.3
235.08237	1.2
235.69737	0.1
237.22261	0.3
238.98833	0.1
241.14427	0.3
245.19174	0.3
247.20665	3.5
248.21017	0.2
253.09261	0.2
263.20178	0.5
265.18695	0.1
265.21774	0.7
273.18597	1.9
275.16614	0.2
277.21713	6.7
278.22061	0.3
281.21182	1.3
287.07626	0.3
291.19666	22.8
292.20010	1.8
305.08704	0.4
309.20700	100.0
310.21057	7.2
323.09949	0.2
388.15085	0.1
397.13498	11.0
398.13797	0.8
415.14560	3.8
416.14844	0.3
675.35358	0.4
676.37384	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	983.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44738	5.4
69.69387	0.5
75.18404	0.6
77.18993	0.6
95.01268	1.3
95.06487	0.5
107.01226	0.6
107.17630	0.5
109.02837	1.0
117.03342	0.8
119.04908	1.3
121.02818	0.6
123.00751	1.9
125.02332	5.1
129.03398	0.7
133.02859	1.2
137.02321	1.8
145.02850	3.3
147.00787	0.8
147.04367	1.8
149.02380	0.9
151.00287	0.7
157.02943	1.2
159.00778	0.7
159.04427	1.4
161.02322	2.8
163.00243	2.9
163.03925	2.5
165.01840	1.7
169.01334	6.5
172.01581	0.6
173.02385	3.3
175.00337	0.8
175.03918	4.0
177.01904	3.0
178.99719	0.6
179.74667	0.6
185.02364	2.8
187.00229	1.2
189.01830	3.6
190.02641	1.1
190.99823	0.8
191.03391	2.4
193.01308	0.7
197.92357	0.6
201.01837	7.3
202.99838	0.8
203.03430	6.2
205.01311	1.6
209.00862	1.8
213.01808	0.7
214.99744	1.2
216.00549	0.7
217.01324	4.9
218.01744	0.9
219.02892	1.1
226.99716	0.8
228.00534	0.7
229.01378	6.6
230.01797	0.9
231.02974	1.3
233.00929	1.1
242.99347	1.3
243.99974	0.9
245.00925	6.2
246.01389	0.9
246.98784	0.9
246.99878	0.6
247.02448	6.3
249.04063	4.1
254.99384	0.7
257.00943	3.0
258.01581	0.8
261.00378	1.4
261.03952	1.0
270.98965	3.2
271.99277	0.7
273.00366	12.9
274.01016	1.7
275.01981	9.4
276.02164	0.9
283.99585	2.5
286.98431	0.8
288.99765	1.0
291.01334	0.8
293.03091	1.7
298.98318	3.6
299.99045	6.1
300.99884	100.0
302.00226	6.1
305.02957	2.2
316.99384	1.4
323.04245	3.4
347.00464	1.2
349.01907	1.7
367.02924	0.9
409.04041	2.0
435.05756	1.9
453.07007	0.6
463.05240	2.1
467.08289	1.2
607.09253	0.8
633.07452	1.4
745.30670	1.3
757.08899	1.4
769.08813	1.9
813.08148	1.1
822.31287	0.6
831.08832	1.5
907.08417	2.0
909.09827	3.5
910.10883	0.8
939.11682	1.1
951.07080	3.3
952.07397	1.0
983.10828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72165	3.8
71.52908	0.5
74.15190	0.5
75.38110	0.6
77.96739	0.6
78.32590	0.5
83.01251	1.2
84.09219	0.5
95.01304	1.4
105.03321	1.1
107.01278	2.4
109.02842	2.6
111.00759	1.0
117.03352	2.4
119.04939	1.3
123.00759	2.5
124.01569	0.7
125.02351	5.1
129.03416	1.0
133.02850	2.5
137.02316	4.2
139.00215	1.1
145.02838	6.1
146.03589	0.9
147.00743	1.0
147.04419	3.0
149.02391	0.7
151.00262	8.0
152.00620	0.9
157.02841	2.2
159.00775	0.9
159.04417	2.0
160.01585	0.6
161.02364	5.2
162.03149	0.8
163.00281	1.3
163.03905	2.9
164.01006	0.6
165.01787	0.7
166.99750	0.9
169.01349	6.4
173.02333	6.9
174.03122	2.0
175.03923	4.2
176.00984	0.7
177.01828	3.1
178.99751	5.3
180.00134	1.8
182.99297	0.8
185.02359	6.3
187.00313	1.4
187.03923	1.1
189.01848	5.7
190.02522	3.1
191.03383	2.5
193.01329	0.8
196.02757	0.6
199.03755	0.6
201.01874	11.4
202.02560	2.2
203.03416	8.1
204.00587	0.6
205.01367	2.9
207.02858	1.2
213.01836	1.1
214.99762	1.3
215.03403	0.8
216.00523	1.7
217.01346	6.9
217.04900	1.0
218.02130	1.5
219.02846	1.7
226.99699	1.4
228.00565	0.9
229.01373	16.6
230.01973	2.3
230.99174	1.2
231.02963	4.3
232.00296	0.8
233.00883	1.7
233.04532	2.2
242.99377	1.4
243.99870	0.8
245.00861	10.9
246.01550	3.3
247.02351	5.1
248.03136	0.8
249.04025	4.0
252.60132	0.6
257.00894	5.7
258.01636	2.1
258.98840	1.3
259.02258	1.2
261.00427	2.1
261.04007	6.5
263.01932	1.6
270.98840	2.9
273.00378	10.5
274.01096	3.2
275.01959	16.5
276.02393	1.0
277.03458	3.3
279.05090	1.0
283.99677	3.4
285.00381	0.6
286.98492	1.0
287.01828	1.1
288.99875	1.1
291.01440	1.6
298.98404	4.3
299.99112	5.7
300.99878	100.0
302.00183	5.9
303.01376	1.2
305.03003	13.6
314.00497	0.7
314.97729	1.0
316.99374	4.0
317.02997	17.7
317.99719	1.3
318.03293	10.4
319.03711	3.4
323.04196	1.1
329.02988	1.2
347.00409	4.6
348.01147	0.8
349.02020	9.1
367.02509	0.7
463.05386	4.0
631.09711	2.9
632.09723	5.1
633.07318	92.9
634.07623	9.4
635.08575	1.0
683.72827	0.6
983.10425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
71.86673	0.6
73.79210	0.6
84.63816	0.6
88.86131	0.6
95.01247	1.9
98.19780	1.7
107.01270	1.7
109.02803	1.0
111.00711	0.6
117.03348	1.7
119.01325	0.6
119.04964	1.1
121.02866	0.6
123.00773	2.8
123.04455	0.7
124.01570	0.9
125.02336	8.7
131.01270	0.6
132.02104	0.8
133.02838	1.5
135.00804	0.6
137.02333	2.5
139.00267	0.8
145.02840	4.3
147.00771	0.9
147.04401	1.6
148.01547	1.9
149.02336	1.9
151.00288	1.2
157.02808	1.1
159.00763	0.8
159.04416	1.0
160.01595	2.6
161.02368	3.8
163.00259	1.6
163.03917	1.6
164.01059	0.7
165.01903	1.6
169.01340	12.9
170.01878	0.7
172.01563	1.6
173.02318	4.3
174.03041	1.0
175.00223	1.0
175.03909	2.3
176.01059	1.9
177.01848	4.5
178.99664	0.8
179.03406	0.7
185.02388	2.5
187.00255	1.2
187.03830	0.8
188.01030	1.8
189.01878	4.4
190.02594	2.2
190.99837	1.3
191.03397	3.5
192.00549	0.9
193.01332	3.7
199.00327	0.8
200.01143	0.7
201.01895	5.5
202.99847	1.1
203.03452	4.7
204.00610	3.0
205.01270	5.0
206.02101	1.0
206.99269	0.7
207.02803	1.0
211.02388	1.5
214.99763	1.2
215.03284	0.7
216.00597	9.8
217.01360	7.7
218.01892	1.5
219.02925	1.6
221.00851	1.3
221.04495	1.7
226.99846	0.7
228.00594	0.6
229.01358	10.0
230.02043	1.2
230.99292	1.0
231.02859	2.7
232.00046	4.9
233.00845	2.3
233.04518	1.0
240.00990	0.7
242.99330	1.2
243.02911	0.7
244.00064	1.6
245.00870	9.6
246.01260	1.3
247.02431	6.1
248.02853	0.9
249.03983	3.6
250.04410	0.6
257.00912	4.6
258.01608	1.0
258.98819	1.6
259.02390	0.8
259.99609	2.0
261.00385	1.8
261.03973	1.6
263.01767	1.1
270.98892	2.0
271.99454	0.8
272.13062	0.6
273.00394	9.9
274.00928	2.7
275.01987	9.8
276.02249	0.9
277.03604	2.5
279.05219	1.0
283.99692	3.1
286.32745	0.6
286.98505	0.6
288.99942	1.2
291.01379	1.9
293.03033	1.2
298.98227	1.8
299.99078	7.7
300.99887	100.0
302.00256	6.0
303.01379	6.2
305.02942	6.5
313.05511	1.0
315.01495	1.0
316.02228	1.3
316.99460	1.5
317.02924	1.0
317.99866	0.9
319.00864	2.3
321.02435	1.6
323.04138	1.4
331.00928	1.3
333.02530	0.8
347.00433	37.3
348.00967	1.2
349.01947	1.6
365.01324	0.8
367.03131	3.7
424.99539	1.3
425.46988	0.6
435.05560	1.6
443.00537	0.7
445.04120	0.7
463.09256	1.3
496.08597	0.6
511.07562	1.3
518.09204	0.8
520.10809	0.7
615.06384	0.9
633.07300	7.9
634.08008	0.9
635.08789	9.0
636.09357	1.1
698.18677	0.7
754.78601	0.8
831.09705	1.2
939.10425	0.8
983.10132	13.0
984.10144	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	983.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50043	3.2
69.50467	3.1
70.53976	0.7
80.55112	1.0
83.01260	2.0
91.01792	1.0
93.03333	1.7
95.01266	2.4
96.90100	0.8
98.20553	1.4
105.03345	2.3
107.01324	0.9
111.00772	7.5
117.03326	4.1
119.01276	1.1
119.04910	1.8
121.02819	2.4
123.00819	4.4
123.04400	1.1
125.02343	4.3
127.00267	1.9
131.01309	2.7
132.02086	1.2
133.02856	5.3
135.04393	1.5
137.02359	2.0
139.00284	8.6
143.01308	1.4
145.02855	9.2
147.00795	2.8
147.04449	3.3
149.02362	3.2
151.03943	1.0
154.99815	1.4
157.02896	1.2
159.00827	3.1
159.04436	1.0
160.01532	1.6
161.02330	13.2
163.00273	5.6
163.03899	5.3
164.00961	1.1
165.01842	1.1
166.99855	1.7
169.01297	3.8
169.02579	0.8
171.00803	2.7
172.01485	1.0
173.02370	9.3
175.00317	2.6
175.03938	3.2
176.01053	1.9
177.01866	9.7
178.99789	0.9
179.03427	1.1
182.99269	9.1
184.00029	1.1
185.02345	4.2
187.00298	8.0
188.01039	1.4
189.01834	13.4
190.02647	2.6
190.99841	1.5
191.03439	9.1
192.00412	1.7
193.01337	2.3
199.00293	1.8
200.01099	2.2
201.01840	7.0
202.02400	1.1
202.99817	4.4
203.03436	3.1
204.00574	1.6
205.01350	10.2
206.02092	1.1
206.99260	0.9
207.02876	2.4
211.78177	0.8
213.01889	1.3
214.02625	0.8
214.99776	10.8
216.00446	2.7
217.01390	15.4
218.02031	1.7
218.99388	1.0
219.02939	4.0
221.00865	2.2
226.99832	1.8
228.00508	1.4
229.01390	9.2
229.98485	0.9
230.99330	5.6
231.02919	3.2
232.00002	2.1
233.00816	8.0
235.02373	2.5
242.99316	10.9
243.02982	0.9
243.99991	2.6
245.00861	20.2
246.01515	2.4
246.98808	1.1
246.99902	1.1
247.02412	11.2
248.03171	1.4
249.00325	1.8
249.04041	3.1
255.55922	0.9
257.00916	5.4
258.01617	2.0
258.98773	5.6
259.99695	3.9
261.00388	17.6
261.03229	1.1
262.00900	1.4
263.01920	13.3
270.98843	23.4
271.99402	3.0
273.00397	28.4
274.01071	4.8
275.01923	14.1
275.99158	1.1
276.02423	0.8
276.99930	2.7
279.01410	0.8
283.99619	3.1
285.37369	0.8
286.98364	13.0
287.98758	1.8
288.99887	17.0
290.00369	1.4
291.01581	5.7
298.94885	1.0
298.98318	38.9
299.99063	17.3
300.99878	100.0
302.00089	6.4
302.97684	1.6
303.00797	1.2
304.99414	2.6
305.02811	1.1
307.00864	6.1
314.97815	10.3
315.98331	4.4
316.99371	50.2
317.99722	3.5
332.98886	5.4
433.04019	1.7
435.05557	1.0
443.02594	0.9
445.04257	1.2
449.03693	0.8
451.05197	3.0
461.03616	1.7
463.05206	1.2
479.04434	1.5
633.07544	4.3
751.04486	3.8
763.04584	1.1
861.46979	0.9
861.62848	0.9
919.27393	0.9
932.05786	2.6
947.04730	1.0
950.07086	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	981.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	1.8
70.87309	0.7
81.03297	0.4
83.01257	1.9
97.02835	0.5
99.00722	0.4
107.01269	6.5
109.02831	4.9
119.01261	0.4
123.00740	0.8
124.01499	0.4
125.02321	1.9
133.02899	0.4
137.02336	13.8
138.02631	0.5
145.02850	0.5
151.00267	27.0
152.00565	0.8
159.04427	0.5
161.02313	1.1
163.00258	1.2
163.03964	0.3
164.01091	0.4
164.03979	0.3
165.01830	1.4
169.01323	4.0
173.02321	0.7
175.03864	0.5
177.01822	0.6
178.99776	22.3
180.00053	0.7
185.00751	0.6
185.02289	0.6
187.03862	0.5
189.01791	0.8
190.99786	0.7
191.03397	0.6
192.00536	2.0
193.01282	1.4
201.01843	0.7
202.99823	0.3
203.03401	0.5
205.01227	0.3
217.01402	1.0
220.25166	0.3
227.03345	0.7
229.01378	1.2
233.00912	0.4
242.99341	0.7
243.02864	0.6
244.00116	0.4
245.00864	1.8
247.02408	1.0
255.03001	0.6
257.00854	0.5
261.00336	0.6
270.98886	1.2
271.02402	2.2
273.00381	2.4
275.01913	1.3
286.98526	0.5
287.01898	0.5
288.99951	0.7
289.03452	0.7
291.01230	0.4
298.98419	2.2
299.01630	0.6
299.99057	1.1
300.99875	10.3
302.00305	0.5
303.01514	0.4
313.05701	0.8
314.97864	0.8
315.01239	0.4
315.98752	0.5
316.02188	2.0
316.99628	5.0
317.02975	100.0
317.99710	0.6
318.03305	5.6
347.00458	1.5
349.05630	0.8
389.91956	0.3
479.08273	1.8
631.09369	34.9
632.09625	4.4
633.07373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72014	2.1
71.20255	0.3
75.02281	0.4
77.21133	0.4
89.03838	0.5
93.03307	0.4
94.56587	0.3
95.01256	1.3
97.02831	0.3
98.12468	0.3
105.03328	0.6
108.02057	0.3
111.00752	0.9
113.89223	0.3
115.01761	0.5
117.03325	2.2
119.01244	0.4
119.04909	0.9
121.02837	1.1
123.00758	2.1
123.04380	0.6
125.02329	3.6
129.03305	0.5
131.01271	0.9
132.02077	0.7
133.02834	2.6
135.04451	0.5
137.02281	0.5
139.00252	1.6
140.00987	0.5
143.01315	0.7
145.02852	5.7
147.00763	1.3
147.04410	1.9
148.01498	0.5
149.02307	1.6
151.03981	0.3
157.02855	1.0
158.03548	0.3
159.00768	1.5
159.04459	0.8
160.01534	1.0
161.02356	6.8
162.02905	0.4
163.00255	1.4
163.03915	2.4
164.01135	0.4
165.01874	0.6
166.99823	1.5
169.01338	4.1
171.00761	1.6
172.01535	0.9
173.02339	4.7
174.02625	0.3
175.00214	0.8
175.03908	1.7
176.01053	1.1
176.31590	0.3
177.01839	3.3
177.05501	0.3
178.99699	0.7
179.03423	0.8
182.83188	0.3
182.99266	1.3
184.00014	1.0
185.00816	0.6
185.02338	2.4
187.00270	3.5
187.03923	0.6
188.01013	1.1
189.01854	9.0
190.02625	2.2
190.99779	0.6
191.03409	3.0
192.00491	0.3
193.01317	0.6
199.00253	1.9
200.01114	1.5
201.01874	6.3
202.02341	0.4
202.99843	1.5
203.03474	2.0
204.00514	1.1
205.01352	4.6
207.02931	0.7
209.00781	0.5
211.04146	0.3
213.01874	0.9
214.02650	0.4
214.99794	4.5
216.00606	2.4
217.01378	9.4
218.01883	1.2
218.99428	0.4
219.02989	1.7
221.00827	0.5
226.99832	2.2
228.00589	1.3
229.01375	6.8
230.02022	0.8
230.99287	2.2
231.02925	1.7
232.00031	1.4
233.00812	2.5
233.04425	0.5
234.01408	0.6
235.02405	0.5
239.03252	0.4
241.01233	0.4
242.02129	0.4
242.99310	6.2
243.03101	0.7
244.00003	2.0
245.00859	13.4
246.01332	1.5
246.98885	0.5
247.02464	5.9
248.03120	0.8
249.03967	1.2
254.99294	0.7
257.00830	3.7
257.98077	0.3
258.01578	0.6
258.98883	1.0
259.02402	0.7
259.99579	1.4
261.00385	5.6
261.03467	0.5
262.00952	0.7
263.01929	0.9
270.98825	15.5
271.99484	2.0
273.00391	19.4
274.00793	2.2
275.01941	6.7
276.02264	0.6
277.03537	0.9
283.02417	0.4
283.99698	2.0
285.00327	0.6
286.98364	3.3
287.01782	0.6
287.98886	0.9
288.99878	6.3
290.00449	1.1
291.01468	3.6
298.94839	0.7
298.98331	21.6
299.99008	7.8
300.99872	87.1
302.00195	6.1
303.01407	2.3
305.03046	1.3
314.97827	3.3
315.01178	0.5
315.98535	4.6
316.99356	100.0
317.99689	5.4
319.00873	0.3
321.02536	0.9
331.01047	2.2
347.00406	1.2
349.02020	2.7
405.04358	0.5
417.04501	0.5
433.04071	0.9
435.05600	0.5
443.02698	0.6
445.03876	1.0
449.03632	0.3
450.33228	0.3
461.03580	2.2
463.05283	0.6
479.04767	1.6
493.06308	0.8
511.07071	0.6
613.05164	0.5
735.04889	0.7
763.04468	0.6
777.05975	0.8
781.06042	1.4
795.07227	0.5
813.08209	1.7
903.04736	0.5
913.04010	0.7
931.05005	0.8
945.05414	0.6
949.06195	1.4
963.07983	0.8
981.08118	1.6
982.07971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24414	7.2
69.24837	15.3
91.05360	4.4
93.87564	1.9
103.05415	2.5
105.03324	10.6
115.05340	2.6
117.03338	2.6
119.04896	8.6
123.00794	2.9
125.02272	2.7
131.04890	5.6
145.02824	4.9
147.04424	23.9
158.03658	3.2
159.04454	10.6
161.02342	4.0
163.03951	3.1
169.01317	6.0
173.02399	4.0
174.03194	4.2
175.03909	85.9
176.04314	2.6
177.01863	3.9
177.05479	3.7
184.91608	2.2
185.02368	2.8
189.01921	2.3
191.03427	10.5
197.05667	1.9
201.01707	4.5
203.03415	69.1
205.01300	3.1
217.01370	7.2
218.02162	2.1
219.02901	5.2
221.04482	7.0
229.01421	8.4
231.02957	3.2
242.99385	2.7
245.00874	9.8
246.01372	2.3
247.02443	97.8
248.02834	4.9
249.03882	2.8
253.85017	2.0
257.00885	4.9
270.98776	3.1
273.00403	9.3
274.00977	6.3
275.01987	15.4
283.99637	2.9
291.01410	11.6
298.98395	5.9
299.98972	5.9
300.99875	100.0
302.00238	9.8
316.99246	9.2
335.00311	15.1
420.44458	2.8
463.05057	3.0
633.07245	83.6
634.07684	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	971.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.5
69.34366	0.7
69.45564	5.5
71.01251	19.0
71.34535	0.6
72.99168	1.3
73.02798	2.8
83.01248	1.6
85.02837	4.2
87.00746	4.1
89.02312	15.9
90.60500	0.7
93.67560	0.6
95.01283	1.1
95.78252	0.6
96.95863	2.4
97.02832	3.2
99.00737	1.1
101.02320	13.9
106.28947	0.6
113.02323	6.2
116.92733	1.9
119.03423	4.4
123.00746	0.9
125.02312	6.9
143.03383	2.1
148.03868	0.8
156.76784	0.6
161.04501	3.8
169.01352	2.0
179.05496	3.7
179.14261	1.3
190.99422	0.6
191.01208	0.6
195.13855	8.9
196.14322	0.8
221.06560	1.1
223.13387	6.1
226.50043	0.7
228.13763	0.9
235.08167	7.4
253.09180	1.6
256.13104	1.6
265.21564	0.9
275.20215	4.4
279.23291	48.1
280.23615	3.0
287.07761	2.9
293.21216	100.0
294.21542	6.0
300.99985	2.0
305.08774	2.5
323.09827	1.3
397.13486	69.5
398.13733	3.9
415.14548	18.7
416.15216	1.2
456.75287	1.1
677.37946	3.4
821.79517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23096	4.6
69.23502	0.9
75.02277	0.6
91.01768	0.5
95.01299	1.3
95.04930	0.5
98.39346	0.5
100.71012	0.5
105.03344	1.0
106.98857	0.5
109.02866	0.5
111.00753	1.5
117.03323	3.1
118.08446	0.5
119.01289	0.7
119.04942	0.9
121.02850	1.2
123.00772	2.5
125.02332	3.0
129.03345	0.9
131.01254	1.2
133.02855	3.0
135.04393	0.6
137.02338	1.1
139.00293	1.4
143.01337	0.8
145.02850	6.3
147.00775	1.5
147.04393	2.0
148.01605	1.0
149.02345	1.4
157.02893	1.0
159.00827	1.3
160.01515	0.9
161.02333	7.0
163.00226	1.1
163.03938	2.7
163.25209	0.6
166.99753	1.7
169.01311	3.2
169.45775	0.6
171.00783	2.1
173.02333	6.4
175.00276	1.2
175.03922	2.0
176.01057	0.8
177.01859	3.5
178.99786	0.7
179.03442	0.9
182.99246	1.4
183.75206	0.5
184.00012	0.9
184.50876	0.5
185.02309	2.1
187.00348	3.9
188.00957	1.1
189.01848	7.5
190.02522	1.9
190.99782	1.0
191.03459	4.0
193.01352	0.7
199.00301	1.8
200.00948	0.8
201.01868	6.9
202.02539	0.7
202.99759	1.3
203.03453	2.2
204.00499	1.3
205.01361	5.1
206.01961	0.8
207.02951	0.7
213.01915	1.0
214.99809	5.3
216.00516	2.3
217.01379	11.0
218.01904	1.7
219.02905	1.9
226.99805	2.9
228.00435	1.0
229.01379	8.2
230.01965	1.0
230.99258	1.9
231.02907	2.8
231.99982	0.9
233.00885	3.4
242.99312	6.1
243.01564	0.7
243.02827	0.7
244.00095	2.8
245.00893	18.8
246.01479	1.6
247.02437	8.8
248.02882	0.9
249.03955	1.5
254.99216	1.2
257.00876	4.4
258.01523	0.7
258.98804	1.0
259.02563	0.5
259.99597	1.5
261.00388	8.4
262.00803	0.7
263.02084	1.1
266.99042	0.6
270.98849	17.5
271.99374	2.7
273.00394	25.1
274.00952	3.5
275.01929	7.8
276.02280	0.6
283.99664	2.0
286.98358	3.6
287.01169	0.6
288.99921	8.9
291.01413	5.7
298.98331	24.2
299.99066	10.1
300.99887	100.0
302.00198	7.5
303.01306	1.0
305.03113	1.1
314.97809	4.5
315.98480	4.1
316.99365	93.1
317.99728	6.1
331.00955	0.9
347.00348	1.1
349.01956	1.7
433.03635	0.9
435.05585	1.4
445.04437	1.0
461.03525	1.6
479.04700	0.9
493.06018	0.6
646.15991	0.7
683.05054	0.6
735.04614	0.7
737.06329	0.7
763.03290	0.8
777.05640	1.4
781.05475	1.3
798.48285	0.7
813.08020	1.8
814.07794	0.8
885.04462	0.9
905.06519	0.7
913.04919	1.0
931.05475	1.2
945.06830	1.1
949.05609	1.7
963.08350	0.9
981.08728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59464	0.2
69.03323	1.5
71.01253	24.3
72.01568	0.3
72.99180	2.1
73.02820	3.8
75.00760	0.4
80.96310	0.2
81.03337	1.0
83.01266	2.8
83.04899	0.3
85.02820	5.7
85.99961	0.4
87.00750	5.7
87.04408	0.3
89.02314	20.9
91.03871	0.5
93.03342	0.3
95.01254	1.9
95.04920	0.3
96.95892	0.7
97.02822	4.7
98.20542	0.5
99.00754	1.4
101.02321	20.0
103.00233	0.3
103.03878	0.4
109.02814	0.5
109.67503	0.2
111.04381	0.8
113.02328	9.8
115.03889	0.3
116.14631	0.2
119.03384	5.4
121.02830	0.6
123.04397	0.2
124.01563	0.3
125.02337	9.2
127.03905	0.3
127.07471	0.3
131.03377	0.8
133.04953	0.9
137.02364	0.3
139.03915	0.8
141.01866	0.6
143.03395	3.4
148.08833	0.5
149.04456	0.8
150.10396	0.5
157.04900	0.2
161.03189	0.3
161.04462	4.5
163.11128	0.4
165.12764	9.7
166.13039	0.3
167.03354	0.6
169.04988	0.6
174.84486	0.2
175.11182	0.3
176.11905	0.3
177.12733	0.3
179.05542	4.5
185.04485	0.5
191.14429	0.2
199.06078	0.3
217.07095	0.6
219.05019	0.3
221.06592	1.5
233.22739	0.3
235.08174	9.9
236.08372	0.2
245.06648	0.6
247.20625	5.0
248.20934	0.3
253.09286	2.1
259.08133	0.2
259.20615	0.3
263.07742	0.9
273.18588	2.6
277.09332	0.7
277.21707	59.3
278.22046	3.4
287.07700	3.7
291.19650	33.1
292.19940	2.0
305.08719	4.1
323.09708	1.2
361.11331	0.4
379.12418	0.8
397.13480	100.0
398.13791	5.3
415.14548	34.7
416.14801	1.6
592.76672	0.2
675.35724	3.1
676.35876	0.4
779.01349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99667	0.1
69.03323	0.7
71.01251	7.8
72.99181	0.8
73.02806	1.2
75.00761	0.3
81.03340	0.2
83.01251	0.6
83.04847	0.2
85.02817	1.9
85.99971	0.2
87.00745	1.9
89.02313	6.2
91.03919	0.2
95.01246	0.5
95.04883	0.2
96.95808	0.2
97.02827	1.0
99.00748	0.5
101.02322	5.2
105.62815	0.2
109.02816	0.2
111.00746	0.2
111.04376	0.2
111.08032	0.3
113.02319	2.9
113.09599	0.3
119.03374	1.7
124.01588	0.2
125.02325	2.2
131.03349	0.2
139.03911	0.3
141.01843	0.2
143.03397	0.7
149.04474	0.2
159.02914	0.1
161.04463	1.2
167.03430	0.2
167.10641	0.3
171.10085	0.3
177.12796	0.3
179.05527	1.8
179.14328	0.9
179.42192	0.2
181.12242	0.2
195.13828	8.4
196.14267	0.8
205.12276	0.8
205.15894	0.4
211.13310	0.5
221.06567	0.9
223.13332	5.8
225.14880	0.4
228.13597	0.8
231.21101	0.4
235.08171	1.8
245.94624	0.2
249.18729	0.2
249.21996	0.2
253.09238	0.5
255.23262	0.6
256.13138	1.0
263.07553	0.2
265.21652	0.6
275.20145	5.3
276.20538	0.3
277.21701	0.4
287.07678	0.6
291.19836	0.2
293.21204	100.0
294.21555	6.8
294.24258	0.1
300.99493	0.1
305.08743	0.7
309.20767	0.3
317.21030	0.3
323.09879	0.5
335.22275	0.2
379.12372	0.9
397.13458	14.0
398.13828	0.8
415.14545	9.9
416.14725	0.6
483.26913	0.3
569.41980	1.4
636.25177	0.2
673.34326	0.9
678.28778	0.2
691.35187	1.8
692.35724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	1.6
69.22948	13.1
71.01250	22.6
72.99200	2.4
73.02821	2.9
79.01796	1.3
83.01256	1.6
85.02820	4.4
87.00725	2.3
89.02317	17.8
95.01262	6.2
96.95877	4.5
99.00791	1.7
101.02319	14.3
106.06509	5.1
107.01263	3.6
111.00799	2.0
112.93638	1.7
113.02310	9.6
119.03383	5.9
119.28549	1.5
120.08069	3.0
122.05988	14.9
123.00803	10.5
124.01528	1.5
125.02338	29.5
126.02738	1.9
134.06013	40.8
136.07545	1.7
139.00262	1.8
140.01044	1.9
145.02846	2.8
152.07108	7.8
160.03799	1.8
161.02328	2.0
161.07121	1.7
162.05659	1.4
163.03897	1.7
165.01849	1.3
166.99762	3.8
168.00497	2.1
169.01328	31.5
173.02402	1.7
179.05632	1.4
189.01826	2.8
190.05048	3.2
191.03389	2.2
211.02470	1.6
211.08656	1.7
213.10355	2.0
217.01385	3.5
223.08813	2.1
225.10313	2.2
229.01428	1.6
237.06749	2.6
237.10277	4.3
238.11026	1.4
239.11810	4.1
241.13445	2.4
244.00092	1.5
245.00778	3.9
247.02362	3.5
250.07516	1.6
251.08241	6.1
251.11880	3.0
253.09746	2.2
261.00452	1.8
264.09015	3.6
265.09784	4.8
269.12671	1.8
270.98767	2.2
273.00323	5.2
277.03641	2.0
277.09760	3.9
279.11380	11.2
281.12982	1.7
283.10785	1.7
285.12454	1.9
291.01581	1.8
291.11221	2.9
293.09247	1.9
295.10617	1.5
298.98416	2.2
299.98965	3.2
300.99887	14.1
302.00110	6.6
303.00528	2.6
303.17654	1.5
305.09323	4.1
307.10886	3.7
314.12518	2.9
316.99426	2.0
337.11981	2.4
342.16129	2.9
344.13937	2.8
346.15521	2.1
358.15475	2.8
359.16412	1.7
360.17154	4.6
370.15576	2.2
373.14087	2.5
374.14960	2.4
384.17261	3.6
386.15030	5.9
398.14941	2.2
399.16025	2.0
400.16705	1.9
402.18112	5.0
412.16843	2.3
414.18430	1.5
418.17520	1.8
428.15918	2.7
440.15961	2.6
447.05649	1.8
460.18649	5.4
472.18433	2.0
475.15610	1.5
564.23438	2.1
610.24445	1.6
617.07770	4.9
651.23016	1.8
682.25708	1.9
683.28583	2.4
687.30750	2.2
729.31519	5.2
755.29047	10.1
759.33728	1.6
769.09204	20.2
770.09149	5.9
773.15894	1.9
773.30316	42.9
774.30322	10.0
787.31909	63.9
788.32404	13.7
797.29791	2.1
805.32996	100.0
806.33411	21.9
815.30273	2.0
829.33197	6.0
847.34198	24.3
848.34106	4.8
967.13422	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61931	1.0
71.01252	21.5
72.99188	2.6
73.02806	1.5
83.01291	1.8
85.02816	5.9
87.00739	5.9
89.02321	13.2
95.01279	3.2
96.95878	5.9
98.67085	1.0
101.02327	13.1
105.08813	1.0
106.06516	3.7
112.93634	2.3
113.02342	8.3
115.00256	5.0
119.03412	4.9
120.08087	3.7
122.06007	11.5
123.00774	1.6
125.02348	4.7
132.04482	2.1
134.06013	36.1
134.07002	2.4
136.07582	1.5
152.07080	7.0
153.75389	1.1
160.03914	1.8
161.02394	1.7
161.45154	1.2
165.01866	1.1
166.99690	1.4
169.01379	5.1
175.02406	8.3
179.05507	1.4
190.05045	3.5
211.08716	2.4
213.10242	1.7
215.11800	2.2
217.01454	1.7
221.10779	1.3
223.08728	1.9
224.09464	1.8
225.10205	2.1
229.01514	1.2
237.06691	2.3
237.10263	2.8
238.11156	1.5
239.11897	5.2
241.13394	1.9
245.00928	3.2
247.02403	2.6
250.07518	1.6
251.08147	5.7
251.11917	3.5
263.08188	2.2
263.11761	1.4
264.09085	3.6
265.09915	8.0
265.13187	1.3
266.10477	1.2
270.98914	2.3
273.00412	4.4
275.01932	1.7
277.09756	2.9
278.10461	2.7
279.11337	8.8
280.12201	1.5
291.07901	1.4
291.11252	2.5
296.11557	1.2
298.98318	2.3
299.99017	2.2
300.99857	9.7
302.00171	1.8
305.09305	3.0
307.10852	3.3
311.14050	1.5
314.12488	3.7
323.10464	2.5
328.10803	1.2
337.11862	4.2
339.13348	1.4
342.16168	1.5
343.12976	1.2
344.14050	1.3
346.15430	1.2
358.15585	1.4
359.16214	1.5
360.17081	2.6
373.14084	1.5
374.15054	1.2
384.13141	2.1
384.17313	3.0
386.15125	4.7
387.15616	1.5
398.15161	1.6
400.10843	1.1
400.16510	2.6
400.44595	1.2
402.18137	2.6
412.16571	2.0
417.17136	1.5
427.18686	1.6
428.16196	3.3
430.17911	2.3
444.19260	1.6
458.17209	1.3
460.19000	2.6
461.19159	1.2
490.19467	1.5
492.20929	1.3
517.61017	1.2
566.25378	1.1
578.21002	1.9
650.23572	1.9
651.24890	2.8
654.49823	1.2
682.26355	2.5
683.26196	2.6
727.30566	1.2
729.31384	3.9
745.30566	1.2
755.29486	7.1
761.32715	1.9
764.43170	1.4
773.30359	33.0
774.31238	5.7
787.32031	55.3
788.32190	7.7
797.30219	1.6
805.32977	100.0
806.33301	15.5
815.31616	2.0
829.33344	9.6
830.32904	1.3
847.34204	21.8
848.34210	3.9
875.34119	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	1.0
69.03297	1.2
69.24506	5.2
69.24935	2.1
70.80095	0.7
71.01229	0.9
71.48386	0.6
83.01247	0.8
85.02816	0.7
95.01251	4.5
105.03336	0.8
107.01271	3.7
109.02796	0.9
111.00742	0.9
117.03345	3.9
119.04903	0.8
121.02864	1.0
123.00757	10.8
125.02338	29.3
129.03345	0.9
133.02861	4.5
135.04413	1.1
137.02336	1.5
139.00238	2.1
140.01024	1.1
143.01306	1.2
145.02849	11.9
147.04414	2.7
149.02345	1.4
151.00249	2.4
157.02811	2.3
159.00777	1.1
160.01569	0.9
161.02344	10.9
162.02975	1.0
163.00244	1.9
163.03915	4.6
165.01810	1.4
166.99699	2.4
168.00607	3.0
169.01331	39.5
171.00797	2.1
172.01503	1.1
173.02351	11.8
174.02922	1.5
175.00209	1.0
175.03909	2.4
176.01019	0.7
177.01799	2.6
178.99765	1.2
179.03374	1.1
185.02338	1.8
187.00237	2.0
187.03806	1.2
188.00978	1.3
189.01851	15.7
190.02603	3.3
191.03450	3.8
193.01405	0.8
199.00272	2.2
199.03894	1.0
200.01076	1.5
201.01842	10.4
202.02802	0.8
202.14877	0.6
203.03453	3.4
205.01355	1.7
205.04956	0.7
207.02818	1.0
211.02347	1.0
214.99808	2.0
216.00572	3.3
217.01363	23.0
218.01891	2.2
219.02838	1.8
221.00948	0.8
226.99794	2.8
227.03334	0.9
228.00443	1.9
229.01372	10.5
230.01854	1.9
231.02994	3.7
233.00807	1.3
242.99333	2.6
244.00034	4.8
245.00870	51.5
246.01392	3.9
247.02429	6.3
249.03804	1.5
254.99113	0.9
257.00925	2.9
258.01480	1.6
259.02344	1.0
259.99509	1.2
261.00363	5.3
261.02731	0.7
261.04132	0.7
263.01874	1.0
270.98758	5.6
271.99536	3.1
273.00381	100.0
274.00919	6.1
275.01968	13.9
276.02280	1.9
277.03387	2.1
288.99921	2.3
291.01328	3.0
295.04648	2.3
298.98315	12.2
299.99026	7.1
300.99875	38.3
302.00272	6.1
303.00702	2.9
304.99753	0.7
305.03058	2.9
313.05942	3.2
316.99356	16.6
327.01364	0.8
331.00714	1.3
337.03378	0.9
343.00909	1.1
349.01993	2.9
383.03793	0.7
447.05374	1.2
465.06815	2.2
469.91080	0.7
597.04578	0.8
615.06152	2.4
617.07837	30.2
618.08301	2.4
737.06915	0.9
747.04797	1.0
749.06421	4.0
765.05707	1.4
767.07336	7.7
767.20789	1.1
768.07245	0.9
891.09381	1.7
917.07092	6.4
918.06647	0.9
923.11951	1.5
935.07861	5.6
967.10406	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	967.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
72.20173	0.5
74.92895	0.5
85.45917	0.5
95.01254	2.1
100.71307	0.5
101.13646	0.5
102.51298	0.5
105.03369	0.6
111.00779	1.6
112.75843	0.6
113.09245	0.7
117.03352	2.5
119.04883	1.2
121.02802	0.5
123.00761	1.9
123.04433	0.9
125.02360	3.1
125.89369	0.5
131.01295	1.3
133.02879	3.3
137.02356	0.6
139.00249	2.0
143.01299	0.7
145.02872	5.2
147.00786	1.7
147.04401	1.7
148.01657	0.7
149.02339	1.5
153.44157	0.5
157.02853	1.7
159.00769	2.1
160.01541	0.7
161.02342	7.8
163.00253	0.7
163.03914	3.2
165.01813	0.6
166.99730	1.1
169.01425	2.6
171.00783	2.0
172.01588	1.2
173.02325	5.2
175.00281	1.4
175.03928	1.0
176.01050	1.3
177.00511	0.6
177.01862	4.3
182.99307	2.9
183.99969	0.6
185.02344	2.8
187.00313	5.0
188.00952	0.9
189.01863	10.8
190.02499	1.7
191.03505	3.8
199.00258	1.2
200.01035	0.9
201.01848	5.7
202.99696	1.6
203.03375	2.0
204.00458	0.6
205.01369	4.5
207.02835	1.0
213.01912	1.0
214.99777	6.1
216.00484	1.7
217.01360	10.6
219.02876	1.9
221.00789	0.9
226.99753	1.7
228.00508	0.9
229.01353	6.8
230.01756	0.7
230.99312	2.9
231.02870	1.6
231.99893	1.1
233.00877	3.5
234.01480	0.8
242.99268	8.1
243.99948	1.6
245.00911	13.5
246.01320	1.6
247.02461	7.6
248.02997	0.9
249.04012	1.2
254.99278	0.8
257.00995	3.7
258.01300	1.0
258.98694	1.0
259.99551	1.7
261.00391	6.8
263.01895	1.1
270.98834	20.0
271.99274	2.4
273.00412	19.4
274.00897	2.5
275.01971	7.2
283.99719	2.0
285.00287	0.7
286.98315	5.5
287.98605	0.7
288.99927	8.0
291.01489	4.1
298.98337	28.2
299.98972	10.8
300.99878	74.7
302.00198	6.5
303.00415	1.2
314.97787	5.9
315.01126	1.1
315.98474	5.4
316.99362	100.0
317.99799	6.1
343.00742	0.8
405.04559	1.3
417.04276	0.8
433.04074	1.9
435.05505	1.3
443.02628	0.9
445.04050	1.7
461.03479	3.3
463.05270	1.5
474.56503	0.6
479.04538	2.7
613.04907	1.1
615.05975	0.9
661.07776	0.6
719.04803	0.6
763.04883	1.0
781.04968	2.0
877.11603	0.6
949.06610	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	967.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95770	2.1
80.26928	0.9
95.01271	1.8
111.00747	1.8
117.03347	3.2
123.00759	2.8
125.02336	4.8
133.02855	2.6
135.04443	1.0
139.00246	2.8
145.02835	7.9
147.00790	1.4
147.04411	2.3
149.02278	1.7
151.00256	1.1
159.00662	1.3
161.02338	10.4
163.00301	1.0
163.03877	3.7
164.00916	1.3
165.01863	1.1
166.99831	1.1
169.01321	3.9
171.00856	2.1
173.02339	6.5
175.03882	2.0
177.01912	4.9
179.03496	1.5
182.99225	3.2
183.99980	1.1
185.02365	2.7
187.00262	3.9
189.01868	9.1
190.02455	1.8
190.99805	1.5
191.03467	6.5
199.00304	1.8
200.00948	1.6
201.01851	7.1
203.03372	3.2
205.01314	3.9
213.01811	1.0
214.86574	1.0
214.99799	6.7
215.01505	1.2
216.00482	2.7
217.01332	13.5
218.01704	1.9
219.02850	2.2
221.04416	1.3
226.99768	1.8
229.01414	7.9
230.01779	1.5
230.99287	2.6
231.02913	2.4
233.00880	3.5
240.11336	1.0
242.99289	9.2
243.99998	1.5
245.00850	22.7
246.01292	2.9
247.02451	15.2
249.03943	1.6
254.99171	1.7
257.00894	4.9
259.99442	2.3
261.00391	8.5
263.01892	1.8
270.98828	27.8
271.99222	3.8
273.00403	32.0
273.03345	1.8
274.00864	4.5
275.01941	11.9
276.02255	2.8
283.99496	2.1
285.00500	1.4
286.98318	6.9
287.98886	1.0
288.99930	9.1
291.01523	6.7
298.98331	36.2
299.98987	11.5
300.99884	100.0
302.00241	16.5
303.00339	3.8
314.97897	8.2
315.98453	4.2
316.01999	1.0
316.99365	95.7
317.99652	7.7
332.98856	1.2
340.99188	1.2
443.02533	1.4
445.04382	1.4
461.03357	3.1
463.04794	1.3
479.04745	1.9
512.46967	1.1
552.12054	1.1
781.05219	1.8
799.05994	1.3
905.05646	1.4
926.93408	1.0
935.07440	1.2
949.05865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	5.9
71.20453	1.1
73.02814	1.3
77.15568	0.8
79.95604	37.0
80.96388	39.9
81.03320	1.0
83.01265	1.1
83.04893	1.8
85.02823	1.4
87.00732	1.0
89.02318	5.5
91.18745	0.6
95.01289	0.8
95.95102	2.9
96.95887	68.7
97.02830	1.0
101.02328	4.7
109.06483	4.4
113.02322	2.2
117.90624	0.8
119.03372	1.2
125.02319	1.8
127.17994	0.6
143.03351	1.0
163.11165	3.0
169.01357	0.9
181.12321	0.8
199.09601	0.8
207.10197	6.5
209.11760	19.6
210.12193	0.8
221.06622	1.6
225.11220	3.6
227.12808	1.2
277.21671	12.3
300.99832	2.5
307.08533	1.2
421.12317	0.9
483.94254	1.0
722.29620	0.8
965.44165	100.0
966.44592	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	967.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.79369	0.8
73.57343	0.9
82.68107	1.0
91.87553	1.0
95.01247	2.0
105.73269	0.8
111.00733	1.9
117.03344	4.1
119.04927	2.0
123.00795	4.8
125.02321	7.3
129.03363	1.0
133.02832	3.1
137.02333	1.4
139.00237	1.5
143.01291	1.4
145.02853	9.3
147.00774	1.0
147.04398	3.4
149.02376	2.1
151.03986	0.9
157.02878	1.8
158.03493	1.0
159.04359	1.1
161.02376	10.2
162.02707	1.6
163.00262	1.8
163.03905	4.8
165.01830	1.5
166.99722	2.1
168.00415	0.8
169.01370	8.6
169.02786	1.3
171.00682	1.9
172.01457	1.1
173.02339	8.6
174.02942	1.7
175.00238	1.6
175.03915	4.8
176.01117	1.4
177.01823	4.1
179.03410	1.7
185.02356	3.8
187.00252	5.4
189.01877	10.9
190.02524	3.3
190.99767	1.0
191.03395	8.6
199.00238	3.0
200.01007	2.0
201.01862	8.4
202.99867	2.0
203.03441	3.1
205.01324	4.1
207.02975	0.9
213.01852	1.2
214.99844	6.2
216.00487	2.6
217.01357	14.9
218.01749	3.1
219.02888	3.7
226.99713	3.4
228.00458	2.0
229.01389	11.5
229.75052	1.3
230.01787	2.7
230.99313	1.9
231.02829	2.4
233.00856	3.6
242.99283	7.8
243.99997	2.7
245.00859	20.0
246.01349	2.9
247.02464	17.1
248.02986	1.4
249.03932	3.3
254.99318	1.8
257.00958	6.7
258.01523	1.7
259.99658	0.9
261.00397	6.2
262.01028	1.0
263.01810	2.3
270.98831	20.5
271.99271	2.6
273.00403	27.4
274.00906	4.2
275.01978	16.5
276.02158	2.4
283.99545	3.3
284.99942	0.9
286.98282	4.0
288.99979	7.3
291.01434	8.2
298.98322	33.6
299.99072	19.5
300.99887	100.0
302.00220	19.1
303.00473	8.4
305.03085	1.3
314.97824	3.5
315.98596	1.8
316.99380	44.4
317.99792	2.8
331.00925	2.4
333.02466	1.8
349.02109	0.9
411.46252	0.8
435.05612	1.8
461.03510	2.1
463.04633	1.2
479.04764	3.5
561.00146	0.8
601.04736	1.9
603.06250	2.3
613.04431	3.7
631.05542	1.5
633.07001	1.9
635.08801	3.8
737.06091	1.4
913.03821	1.8
935.06250	1.4
967.08472	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	967.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.79369	0.8
73.57343	0.9
82.68107	1.0
91.87553	1.0
95.01247	2.0
105.73269	0.8
111.00733	1.9
117.03344	4.1
119.04927	2.0
123.00795	4.8
125.02321	7.3
129.03363	1.0
133.02832	3.1
137.02333	1.4
139.00237	1.5
143.01291	1.4
145.02853	9.3
147.00774	1.0
147.04398	3.4
149.02376	2.1
151.03986	0.9
157.02878	1.8
158.03493	1.0
159.04359	1.1
161.02376	10.2
162.02707	1.6
163.00262	1.8
163.03905	4.8
165.01830	1.5
166.99722	2.1
168.00415	0.8
169.01370	8.6
169.02786	1.3
171.00682	1.9
172.01457	1.1
173.02339	8.6
174.02942	1.7
175.00238	1.6
175.03915	4.8
176.01117	1.4
177.01823	4.1
179.03410	1.7
185.02356	3.8
187.00252	5.4
189.01877	10.9
190.02524	3.3
190.99767	1.0
191.03395	8.6
199.00238	3.0
200.01007	2.0
201.01862	8.4
202.99867	2.0
203.03441	3.1
205.01324	4.1
207.02975	0.9
213.01852	1.2
214.99844	6.2
216.00487	2.6
217.01357	14.9
218.01749	3.1
219.02888	3.7
226.99713	3.4
228.00458	2.0
229.01389	11.5
229.75052	1.3
230.01787	2.7
230.99313	1.9
231.02829	2.4
233.00856	3.6
242.99283	7.8
243.99997	2.7
245.00859	20.0
246.01349	2.9
247.02464	17.1
248.02986	1.4
249.03932	3.3
254.99318	1.8
257.00958	6.7
258.01523	1.7
259.99658	0.9
261.00397	6.2
262.01028	1.0
263.01810	2.3
270.98831	20.5
271.99271	2.6
273.00403	27.4
274.00906	4.2
275.01978	16.5
276.02158	2.4
283.99545	3.3
284.99942	0.9
286.98282	4.0
288.99979	7.3
291.01434	8.2
298.98322	33.6
299.99072	19.5
300.99887	100.0
302.00220	19.1
303.00473	8.4
305.03085	1.3
314.97824	3.5
315.98596	1.8
316.99380	44.4
317.99792	2.8
331.00925	2.4
333.02466	1.8
349.02109	0.9
411.46252	0.8
435.05612	1.8
461.03510	2.1
463.04633	1.2
479.04764	3.5
561.00146	0.8
601.04736	1.9
603.06250	2.3
613.04431	3.7
631.05542	1.5
633.07001	1.9
635.08801	3.8
737.06091	1.4
913.03821	1.8
935.06250	1.4
967.08472	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	965.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66171	1.1
71.01246	9.5
71.56829	1.4
72.99161	1.2
73.02804	1.5
78.95747	1.1
79.95601	41.9
80.96385	52.0
81.03304	1.2
83.01270	1.4
83.04880	1.9
85.02782	2.7
87.00756	2.9
89.02289	7.3
89.27281	1.2
95.95087	4.5
96.58580	1.2
96.95885	85.4
97.02821	3.2
97.94853	1.0
101.02331	9.9
109.06464	5.1
113.02335	3.5
115.31949	1.2
119.03372	2.1
125.02342	2.6
128.41730	1.1
157.26807	1.1
163.11194	2.2
169.01332	1.8
175.02362	1.9
181.12270	2.2
207.10222	6.4
209.11763	22.9
221.06502	1.7
221.59763	1.1
225.11183	3.5
227.12712	2.2
241.00099	1.8
247.09438	2.7
270.98761	1.3
277.21716	32.0
278.22067	1.9
300.99863	4.2
307.08603	1.9
311.16547	1.8
350.32462	1.2
374.34354	1.1
543.45557	1.2
871.87958	1.3
965.44141	100.0
966.44427	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	965.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01738	0.3
70.15791	0.7
70.16197	0.4
95.01266	0.9
98.20496	0.3
105.03371	0.4
107.01250	0.3
108.61334	0.2
113.03861	0.2
117.03352	1.2
119.04867	0.2
121.02821	0.3
123.00751	1.4
125.02337	2.4
129.03358	0.5
131.01265	0.3
132.02049	0.3
133.02873	1.4
139.00241	0.3
143.01250	0.3
145.02856	4.1
147.00772	0.5
147.04401	0.9
149.02333	0.4
157.02841	0.9
159.00760	0.4
159.04390	0.6
160.01584	0.5
161.02332	3.3
162.03175	0.5
163.00298	0.6
163.03932	1.4
165.01877	0.3
165.80142	0.2
166.99850	1.1
169.01334	3.4
171.00812	0.7
173.02350	4.1
174.03026	0.4
175.00275	0.4
175.03873	1.3
176.01108	0.4
177.01862	1.5
178.99802	0.4
185.02359	2.4
187.00299	1.5
187.03914	0.2
188.01053	0.5
189.01874	3.9
190.02637	2.2
190.99709	0.4
191.03433	1.2
191.23186	0.2
199.00302	0.8
199.03856	0.3
200.01007	0.7
201.01854	4.4
203.03433	2.0
205.01352	0.5
213.01863	0.7
214.02531	0.4
214.99904	1.9
215.03351	0.3
216.00566	1.5
217.01346	5.9
218.02098	0.8
219.02919	0.9
226.99803	1.1
228.00526	0.8
229.01353	5.9
230.01819	0.4
231.02985	1.7
232.00142	0.3
233.00783	0.5
239.03294	0.3
242.99365	2.5
243.03033	0.4
244.00055	1.5
245.00893	7.6
246.01521	0.6
247.02409	1.9
248.03117	0.2
249.03986	1.8
251.03606	0.2
254.99283	0.6
257.00885	3.6
258.01602	0.9
259.02350	0.4
259.99402	0.7
261.00296	1.0
261.04108	0.3
263.01926	0.3
270.98849	7.3
271.99390	1.3
273.00397	12.7
274.01041	1.4
275.01956	8.5
276.02280	0.5
277.03360	0.3
283.02271	0.3
283.99655	1.9
286.98499	0.3
287.01956	0.4
288.99881	0.6
290.00659	0.3
291.01419	0.7
298.98334	11.0
299.99075	5.9
300.02469	0.2
300.99875	100.0
302.00159	4.6
303.01340	0.8
305.03009	1.0
313.00110	0.3
314.97696	0.7
315.01389	0.5
315.98492	0.5
316.99384	2.3
319.00668	0.3
331.00986	1.8
343.00952	0.2
349.01904	2.6
350.02386	0.3
405.04675	0.4
417.04498	0.5
427.02957	0.3
433.04031	0.7
435.05905	0.4
443.02350	0.8
445.04147	2.7
446.04007	0.4
461.03595	3.1
463.05191	2.9
479.04834	0.3
493.06131	1.2
569.06183	0.5
613.04846	1.5
615.06226	0.6
631.05597	0.4
763.04156	0.3
765.06128	1.0
795.06018	0.4
897.04877	0.4
905.07098	0.4
933.06329	10.3
934.06897	1.7
965.09155	6.1
966.09473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25109	0.3
69.25513	1.4
69.48747	0.1
71.01262	0.2
93.03342	0.1
94.76135	0.1
95.01259	0.7
97.02826	0.2
101.03840	0.2
102.74313	0.2
103.01745	0.2
103.05427	0.2
105.03340	0.4
107.01278	0.5
117.03350	1.5
119.04897	0.5
121.02831	0.3
123.00742	0.9
124.01498	0.2
125.02338	3.6
129.03354	0.8
131.01260	0.1
131.04887	0.3
132.02075	0.5
133.02820	0.9
139.00311	0.2
143.01263	0.5
143.04904	0.2
145.01804	0.3
145.02859	3.7
146.03600	0.3
147.00856	0.3
147.04443	1.4
148.01534	0.2
149.02336	0.3
151.00261	0.3
157.02881	1.3
158.03578	0.3
159.00798	0.3
159.04405	0.8
160.01561	0.5
161.02348	2.0
162.03047	0.5
163.03886	1.1
169.01344	6.9
170.01836	0.2
171.00850	0.9
171.04422	0.3
172.01517	0.5
173.02347	3.8
174.03105	1.1
175.00426	0.2
175.03928	2.9
176.01044	0.5
177.01825	0.5
177.05513	0.2
184.01578	0.2
185.02354	3.2
187.00244	0.6
187.03853	0.4
188.01054	0.4
189.01823	1.7
190.02605	0.8
191.03427	1.4
195.04390	0.2
199.00354	1.0
199.04005	0.2
200.01010	1.1
201.01860	6.6
202.02510	1.0
203.03435	3.9
204.03844	0.2
205.01340	0.5
205.05043	0.3
206.02034	0.3
213.01900	0.8
214.02734	0.2
214.99782	0.3
215.03300	0.2
216.00558	1.6
217.01366	2.7
218.02022	0.5
219.02905	0.5
226.99797	1.3
228.00624	1.1
229.01373	11.2
230.01888	1.1
231.02959	1.6
233.04488	0.9
235.06075	0.3
241.04865	0.2
242.99350	0.6
243.02853	0.3
244.00107	1.7
245.00906	4.5
246.01526	0.5
247.02464	1.3
248.03099	0.3
249.03984	1.6
250.04526	0.2
254.99251	0.9
255.03029	0.3
255.99940	0.2
257.00882	5.3
258.01627	1.0
259.02493	1.5
259.99594	0.3
261.00815	0.3
261.04034	3.4
267.02948	0.2
270.98950	1.1
271.01743	0.2
271.99759	0.4
273.00391	3.7
274.01056	0.8
274.98914	0.3
275.01959	5.6
276.02386	0.2
277.03519	0.5
279.05444	0.2
283.99643	2.7
285.03885	0.2
286.98676	0.3
287.01947	3.9
288.02405	0.4
289.03439	0.2
291.01422	0.6
295.02417	0.2
298.98199	0.7
299.99094	3.7
300.99875	100.0
302.00256	5.5
303.01355	0.5
305.03000	1.8
316.99551	0.4
325.03522	0.2
331.00964	0.6
347.00116	0.2
349.01981	0.9
354.09174	0.2
355.04648	0.2
373.01904	0.4
417.04657	0.4
419.06290	0.2
427.02744	0.2
436.47882	0.2
445.04092	0.5
449.07123	2.0
450.07626	0.3
461.03839	0.9
475.04892	0.2
489.02933	0.2
493.05850	1.9
511.07294	0.2
515.01202	0.3
587.06219	0.2
615.06335	0.7
631.05261	0.3
751.07678	1.0
777.06360	0.3
795.06866	3.4
796.07416	0.5
921.10553	0.6
933.06622	0.5
965.08997	3.0
966.09082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01250	1.2
105.03342	0.4
105.81929	0.3
107.01250	0.3
117.03350	1.7
119.04924	0.7
121.02812	0.3
123.00729	1.5
125.02315	2.0
129.03368	0.6
131.04933	0.4
132.02141	0.3
133.02817	1.5
145.02856	5.0
147.04431	0.8
149.02280	0.6
157.02823	0.9
159.00827	0.4
159.04430	0.6
161.02336	3.5
162.02989	0.3
163.00314	0.3
163.03909	1.8
166.99777	1.3
169.01379	2.3
171.00801	1.2
172.01613	0.3
173.02354	4.4
174.02899	0.4
175.03922	1.4
177.01849	0.9
179.03575	0.3
184.01755	0.3
185.02380	2.4
187.00311	1.2
188.01030	0.6
189.01860	4.8
190.02669	1.5
191.03398	1.9
199.00319	1.0
200.01053	0.9
201.01862	5.0
203.03468	2.3
205.01334	0.5
207.02924	0.3
213.01881	0.9
214.99794	1.9
216.00642	1.7
217.01364	6.4
218.02007	1.1
219.02937	1.0
222.01482	0.4
226.99770	1.1
228.00563	1.0
229.01376	7.0
230.01886	0.7
230.99242	0.5
231.02959	1.6
231.19199	0.3
233.00845	0.6
242.99316	3.2
244.00024	1.2
245.00873	11.2
246.01370	1.1
247.02460	1.9
249.04050	1.5
253.05069	0.4
254.99312	0.5
255.02870	0.4
257.00861	4.3
258.01498	1.1
261.00323	1.1
270.98853	9.2
271.99515	1.6
273.00400	13.6
274.00937	1.2
275.01953	8.3
276.02295	0.6
283.99673	2.8
288.99854	0.4
291.01358	0.6
298.98328	10.0
299.99078	7.4
300.99881	100.0
302.00217	6.6
303.01233	0.5
305.02960	0.6
315.01520	0.5
316.99484	2.1
331.00986	0.3
343.00876	0.5
349.02051	0.7
357.06000	0.3
368.19434	0.4
417.04773	0.4
433.04150	0.8
443.02637	0.9
445.04095	1.9
461.03485	2.5
462.03629	0.7
463.05023	2.7
613.04614	1.2
763.05151	0.4
765.07074	0.4
933.06299	8.5
934.06970	2.2
965.09015	5.1
966.09668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90797	0.4
83.47772	0.2
84.72306	0.2
89.03821	0.2
91.22952	0.3
95.01266	1.2
105.03323	0.3
107.01247	0.4
111.00806	0.2
115.87781	0.2
117.03368	1.4
119.01315	0.2
119.04910	0.6
121.02818	0.4
123.00749	2.3
124.01521	0.4
125.02325	3.0
129.03358	0.7
131.01270	0.4
132.02037	0.4
133.02856	1.1
135.00706	0.2
135.04459	0.4
137.02357	0.3
143.01251	0.5
145.02859	4.4
147.00784	0.4
147.04416	1.2
149.02292	0.5
157.02815	1.2
159.00731	0.6
159.04393	0.7
160.01576	0.9
161.02342	3.6
162.03078	0.5
163.00287	0.8
163.03932	2.0
165.01799	0.4
166.99757	1.1
169.01338	3.6
171.00751	0.9
171.04387	0.2
172.01595	0.5
173.02353	3.7
174.03085	0.5
175.00285	0.4
175.03900	2.0
176.00964	0.4
177.01823	1.1
178.99712	1.0
179.03378	0.4
184.01495	0.3
185.02353	3.3
187.00293	1.6
187.03918	0.5
188.00960	0.7
189.01857	5.2
190.02652	2.5
190.99716	0.3
191.03412	1.7
193.01302	0.3
199.00363	1.2
199.03975	0.4
200.01060	0.9
201.00067	0.4
201.01868	5.1
202.02524	0.7
202.99796	0.2
203.03398	2.2
204.00572	0.2
205.01321	0.6
205.05087	0.3
211.04044	0.3
213.01881	0.4
214.02460	0.3
214.99829	2.0
215.03310	0.3
216.00572	1.8
217.01352	7.0
218.02119	0.9
219.02853	1.0
221.04518	0.3
226.99857	1.3
227.03508	0.5
228.00540	1.0
229.01373	7.8
230.01894	0.7
230.99348	0.3
231.02933	2.2
232.00084	0.4
233.00899	0.5
233.04309	0.2
239.03409	0.2
242.99286	2.9
243.02840	0.4
244.00075	1.9
245.00873	9.7
246.01537	1.1
247.02415	2.0
248.03011	0.3
249.03954	2.2
254.99364	0.8
255.02914	0.3
256.00174	0.3
257.00891	4.4
258.01511	1.2
259.02335	0.4
259.99579	0.7
261.00430	1.4
267.02875	0.3
269.04755	0.2
270.98834	7.8
271.99506	1.6
273.00397	12.3
274.01035	1.8
275.01965	10.1
276.02356	0.5
277.03531	0.6
283.99631	2.7
285.00208	0.6
286.98474	0.3
287.01910	0.6
287.98734	0.2
288.99643	0.3
291.01443	0.8
298.98328	9.3
299.95609	0.3
299.99057	7.0
300.99872	100.0
302.00244	5.1
303.01398	1.1
305.02930	1.4
311.01895	0.3
312.99887	0.3
313.03308	0.2
315.01532	0.4
316.99438	1.3
331.00800	1.5
332.01437	0.2
343.00885	0.5
349.01978	2.8
359.97879	0.2
405.04321	0.3
417.04718	0.4
433.04010	0.8
443.02515	0.5
445.04199	2.0
461.03595	2.1
463.05090	2.1
475.05338	0.3
493.06186	0.8
569.05872	0.3
603.06787	0.3
613.04932	1.4
614.05133	0.2
615.06378	0.5
631.05695	0.3
640.63629	0.2
735.04999	0.2
765.05878	0.7
872.71136	0.3
915.05347	0.8
933.06409	8.9
934.07202	1.5
965.08984	5.2
966.09497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01240	0.6
71.56608	0.7
74.44042	0.4
91.01775	0.4
95.01257	2.4
105.03347	0.6
107.01236	1.0
109.02856	0.4
111.00710	0.5
115.01776	0.4
116.39542	0.4
117.03350	2.9
119.01324	0.5
119.04899	1.4
121.02809	0.5
123.00741	4.6
125.02344	5.7
129.03357	0.5
131.01292	0.9
133.02859	2.9
135.04404	0.4
136.01537	0.5
136.39227	0.5
140.00922	0.4
143.01270	0.9
145.02847	8.3
147.00803	1.0
147.04463	2.4
149.02324	1.3
151.00252	0.9
157.02840	1.4
159.00769	0.8
159.04382	1.4
160.01558	1.0
161.02356	6.6
163.00296	1.1
163.03925	3.3
164.00957	0.5
165.01811	0.4
166.99771	1.6
169.01332	5.2
171.00780	2.3
172.01506	0.8
173.02347	6.9
174.03082	0.5
175.03941	3.2
177.01851	2.3
178.99748	1.5
179.03429	0.9
185.02344	4.0
187.00320	2.8
187.03883	1.0
188.01126	1.0
189.01859	7.7
190.02654	3.2
190.99837	0.6
191.03410	4.4
193.01294	0.7
199.00252	2.5
200.00963	1.8
201.01857	8.9
202.02455	0.9
202.99692	0.7
203.03418	4.5
205.01309	1.7
207.02893	0.7
213.01854	1.3
214.99814	2.7
216.00626	3.6
217.01366	13.8
218.01933	1.7
219.02821	2.2
222.01622	0.5
226.99835	4.0
228.00502	1.8
229.01366	12.5
230.01932	1.2
230.99316	0.6
231.02948	3.7
232.00011	0.7
233.00941	1.1
239.03311	0.5
242.99333	3.9
244.00104	2.4
245.00871	17.8
246.01486	1.8
247.02412	5.8
248.03140	1.2
249.04025	4.6
254.99315	1.3
257.00882	6.9
258.01572	1.9
258.98795	0.6
259.02469	1.0
259.99667	1.1
261.00409	3.4
261.04047	0.7
270.98810	10.4
271.99640	2.2
273.00391	27.9
274.01077	3.6
275.01959	20.9
276.02228	0.8
277.03519	1.3
283.99576	2.5
286.98276	1.2
287.01993	1.1
288.02670	0.5
288.99908	2.2
290.00665	0.8
291.01306	2.8
298.98312	16.4
299.01782	0.9
299.99072	10.7
300.02551	0.7
300.99872	100.0
302.00214	5.6
303.01611	1.2
305.02939	2.7
313.05679	0.6
314.97809	0.6
315.01297	0.5
316.99301	3.3
319.00748	0.6
331.00925	2.2
343.00912	0.6
347.00571	0.8
349.01978	2.3
390.53635	0.5
419.06024	0.7
437.07104	0.7
445.03915	0.6
461.03592	1.1
463.05276	0.8
597.05457	0.5
603.06189	3.2
613.04602	10.0
614.05182	1.0
615.06000	0.5
631.05670	2.8
663.08112	0.6
680.87347	0.6
933.06262	4.4
934.06348	0.6
965.08844	8.9
966.09589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.9
70.13859	1.5
71.01250	15.4
72.99179	1.5
73.02811	2.5
75.00769	0.9
81.03301	0.4
83.01252	1.3
85.02829	3.7
87.00748	3.7
89.02314	11.7
91.03886	0.4
95.01263	1.1
95.04943	0.4
96.95908	0.7
97.02811	2.9
99.00776	0.8
101.02319	11.3
113.02332	6.3
119.03385	3.3
125.02328	5.3
131.03401	1.1
139.03899	0.8
141.01653	2.6
143.03383	1.8
150.79073	0.3
156.82738	0.3
161.04453	3.0
167.14293	0.5
179.05510	3.2
183.13821	7.1
184.14029	0.3
185.04317	0.5
193.12254	1.6
211.13329	100.0
212.13690	3.3
217.07162	0.7
221.06718	1.6
235.08180	5.0
245.06456	0.4
253.09366	0.6
253.14496	0.7
259.08273	0.7
263.07819	0.4
277.21710	47.2
278.22073	3.1
287.07730	2.3
305.08783	1.6
323.09808	1.3
361.11118	0.6
373.18781	0.4
379.12473	11.5
380.12772	0.7
387.82877	0.4
397.13489	37.3
398.13757	1.0
415.14618	8.4
416.15045	0.5
418.82864	0.5
429.21350	0.4
499.22137	0.5
591.26550	8.9
592.27032	0.8
609.27661	8.4
610.28070	0.6
657.34918	2.0
675.35864	3.1
696.37146	0.4
869.48816	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	963.6866
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03331	6.6
83.04895	15.1
84.05233	0.4
85.87556	0.2
95.01227	0.2
96.95893	0.3
107.06038	0.3
107.38843	0.2
108.04436	0.4
123.00735	0.4
124.73333	0.2
125.02304	0.6
125.07102	1.1
126.05469	0.5
142.24168	0.2
143.08243	0.4
166.99707	0.3
169.01321	0.6
173.02359	0.3
187.00272	0.2
192.86751	0.2
199.18167	0.3
203.03368	0.2
207.15056	1.1
216.00552	0.3
217.01360	0.3
224.17618	2.0
225.16040	10.0
242.18735	0.6
245.00786	0.3
247.02373	0.3
263.12695	0.3
273.00388	0.4
275.01794	0.5
298.98376	0.4
299.99228	0.5
300.99854	1.7
303.01279	0.3
309.21762	0.9
310.28766	0.2
324.26575	0.4
333.23093	0.6
341.29102	0.8
347.00436	0.5
367.27054	1.1
379.03149	0.2
385.28052	0.3
407.33435	0.3
433.31799	1.7
450.34280	0.9
451.32870	8.4
452.33060	0.9
475.57620	0.2
535.38116	0.3
550.43524	0.4
567.45978	0.5
593.44159	0.2
676.51129	0.3
677.49811	1.7
691.81128	0.3
776.60352	0.7
885.65308	0.8
903.66486	100.0
904.66797	17.7
942.07599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29083	2.4
71.01247	0.3
74.30123	0.2
83.01292	0.3
95.01274	0.4
107.01248	0.6
117.03352	0.7
117.49480	0.3
123.00797	1.2
125.02322	2.9
125.31671	0.2
127.04105	0.3
129.03354	0.5
131.04860	0.3
132.02077	0.3
133.02832	0.6
135.04492	0.3
137.02316	0.4
143.01225	0.4
145.02863	2.3
147.00700	0.3
147.04408	0.7
149.02359	0.3
157.02849	0.9
159.00781	0.3
159.04407	0.7
160.01561	0.3
161.02310	2.6
162.03114	0.4
163.00226	0.6
163.03929	1.5
165.16776	0.3
169.01338	4.3
171.00795	0.5
171.64828	0.2
173.02338	2.5
174.02986	0.3
175.00348	0.4
175.03915	0.8
176.01088	0.3
177.01852	0.5
185.02394	2.3
187.00287	0.7
187.03969	0.5
188.01112	0.4
189.01822	2.8
190.02588	1.1
190.99922	0.3
191.03384	1.5
193.01245	0.2
194.99205	0.3
199.00259	0.4
199.75935	0.3
200.01056	0.6
201.01880	4.3
202.02441	0.4
203.03407	1.5
205.01253	0.4
213.01921	0.5
214.99756	0.7
216.00606	0.5
217.01332	3.8
218.01991	0.4
219.02908	0.7
226.99817	1.3
228.00606	0.6
229.01379	6.0
230.01889	0.6
230.99367	0.3
231.02921	1.0
232.00131	0.3
233.00758	0.3
240.00708	0.2
242.99318	1.0
244.00114	0.8
245.00874	5.8
246.01399	0.8
247.02480	1.0
248.03116	0.4
249.03999	4.1
250.04475	0.4
254.99315	0.4
257.00861	3.2
258.01556	0.6
259.02350	0.4
259.99603	0.4
261.00433	1.0
263.02032	0.3
270.98853	2.5
271.01944	0.3
271.99481	0.6
273.00415	5.8
274.00885	0.9
275.01941	5.2
277.03580	0.6
283.99597	2.3
285.00748	0.3
287.01840	0.5
289.00073	0.3
291.01382	0.5
293.03064	1.7
298.98355	2.7
299.99100	4.1
300.99878	100.0
302.00223	6.0
303.01428	0.5
305.02994	1.9
315.01523	0.4
316.99295	0.8
321.02795	0.5
323.97775	0.2
331.01102	0.5
349.01968	2.1
391.03070	0.3
437.07135	0.4
461.03674	0.7
463.05350	0.4
493.06174	1.6
511.07257	0.3
589.08167	1.4
603.06256	0.5
613.04822	1.3
615.06305	0.6
633.06750	0.5
933.06293	1.2
965.09003	6.0
966.09491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	2.1
71.56583	0.4
73.02810	2.0
82.16511	0.3
83.01258	3.1
85.02829	0.7
87.04388	0.4
92.19684	0.3
93.03298	0.6
95.01292	0.6
97.02812	0.5
99.00793	0.5
100.35765	0.3
101.02325	1.2
101.94646	0.3
107.01275	3.4
107.04900	0.3
111.00716	0.4
112.93698	0.3
113.02304	0.5
121.02854	2.9
123.00770	6.7
123.04432	0.4
124.01553	36.0
125.02379	5.5
125.05917	0.3
126.11524	0.3
127.07575	0.3
130.47252	0.3
137.02380	0.3
138.03163	1.4
139.03909	22.2
139.11185	7.0
139.12242	0.5
140.04279	0.5
149.02333	0.7
151.00269	14.2
151.11263	0.3
152.00623	0.3
163.03928	0.3
163.11220	0.8
165.09142	0.7
167.10704	0.3
169.01315	1.7
169.12262	0.7
178.99777	6.3
179.10713	0.8
181.12234	2.7
183.10184	12.2
184.10518	0.6
197.11792	0.3
199.13272	0.6
225.11284	4.2
229.05107	0.3
239.12747	0.4
241.52303	0.3
243.12341	1.9
249.11375	0.5
267.12305	0.4
273.03973	0.8
291.12289	0.4
300.02908	0.3
301.03516	22.9
302.03909	1.3
327.14514	0.7
387.15787	0.3
433.07703	11.8
434.08255	0.7
453.17798	0.3
490.94037	0.3
509.20248	1.2
527.21307	100.0
528.21649	11.8
854.50104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36463	0.6
69.03336	0.9
71.01254	15.3
71.56377	1.2
72.99166	1.5
73.02814	2.0
79.95595	0.6
83.01244	2.0
83.04859	0.8
85.02827	4.1
87.00749	3.8
89.02309	13.3
95.01273	1.7
96.95869	1.5
97.02832	2.6
99.00748	1.0
101.02322	12.7
113.02325	8.4
119.03387	4.4
124.01483	0.6
125.02330	5.9
131.03351	0.8
139.03918	0.7
143.03381	2.5
161.04448	3.9
179.05501	2.9
183.13844	6.3
193.12238	2.2
207.69078	0.7
210.24686	0.6
211.13333	100.0
212.13657	4.7
221.06581	1.4
235.08260	5.6
253.09200	0.6
259.08218	1.3
270.56595	0.6
277.21716	62.9
278.22089	4.1
283.93033	0.6
287.07712	2.4
305.08841	2.1
308.38412	0.6
323.09686	1.4
338.38925	0.6
376.61414	0.7
379.12433	13.0
380.12991	1.3
397.13483	40.5
398.13852	2.4
399.63828	0.7
415.14609	7.0
438.00336	0.7
591.26563	8.4
592.26440	1.3
609.27704	4.7
657.35052	2.6
675.35822	6.3
869.49408	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	953.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.9
69.03322	1.4
70.87871	1.6
71.01268	1.2
77.89201	0.6
79.01760	0.7
81.03326	0.9
85.02819	1.0
88.59652	0.8
89.03844	1.5
93.03322	1.1
95.01257	9.2
96.74453	0.6
97.02827	1.4
101.03857	0.8
105.03355	1.3
107.01260	6.5
107.04890	0.7
111.00760	1.7
115.01800	0.8
117.03342	6.5
119.04901	2.1
121.02830	1.4
123.00771	17.6
124.01547	2.3
125.02335	51.7
126.02695	1.1
129.03354	1.2
131.01262	1.2
131.04930	1.2
132.02032	0.8
133.02834	7.1
135.04427	3.8
136.98743	0.7
137.02330	2.2
139.00275	2.5
140.01041	2.5
143.01247	2.1
145.02861	19.9
146.03322	1.0
147.00766	1.3
147.04420	4.6
149.02341	2.6
151.00291	2.5
153.01813	0.9
157.02866	3.2
158.03635	0.9
159.00755	1.1
159.04411	2.8
160.01648	1.2
161.02359	17.3
162.02975	1.3
163.00252	3.0
163.03906	9.4
164.01045	1.0
165.01839	1.6
166.99771	3.6
168.00534	3.7
169.01337	52.7
170.01656	1.4
171.00783	6.1
172.01436	1.5
173.02353	20.8
174.03067	1.0
175.00327	1.0
175.03917	6.1
176.01071	0.9
177.01857	5.2
179.03406	2.7
185.02344	4.2
187.00287	2.5
187.03949	1.6
188.00961	1.4
189.01857	22.0
189.03584	1.2
189.05438	0.8
190.02614	5.0
190.99786	1.1
191.03419	13.5
192.03688	0.9
193.01407	0.9
199.00278	3.6
200.01085	3.0
201.01855	16.8
202.02431	1.1
202.99800	0.9
203.03439	4.8
205.01436	1.9
205.04984	1.0
207.02818	1.7
209.00848	1.1
211.02376	1.5
213.01878	0.9
214.02788	0.9
214.99780	3.9
215.03365	0.8
216.00537	3.5
217.01369	36.2
218.01936	3.0
219.02925	7.2
221.00931	1.1
221.04422	1.2
226.99789	6.0
227.03354	1.5
228.00569	4.4
228.04257	0.8
229.01355	18.6
230.02022	1.9
230.99228	0.8
231.02933	6.5
233.00967	1.1
235.02470	1.5
239.03548	1.4
240.04085	0.8
242.99365	4.5
243.02936	1.2
244.00099	5.0
245.00882	63.5
246.01405	4.0
247.02448	22.5
248.02838	1.7
249.03912	1.2
253.01288	1.2
254.99258	1.1
255.02908	1.2
257.00864	5.5
258.01578	2.1
259.02606	1.1
261.00330	7.4
262.00723	1.4
263.01926	2.3
265.05026	0.8
267.02945	1.2
270.98816	10.6
271.01913	1.2
271.99567	2.4
273.00397	100.0
274.00922	8.1
275.01956	13.8
276.02103	0.8
277.03537	0.9
281.04626	1.4
283.99594	2.2
288.99884	4.4
291.01477	5.6
295.04611	2.5
298.98358	17.0
299.01825	1.4
299.05331	0.7
299.99081	14.1
300.99893	72.7
302.00311	4.3
311.01871	0.8
313.05634	3.1
314.00388	1.0
316.99390	27.1
321.04007	0.7
327.01489	1.5
335.04428	0.7
343.00769	1.4
355.04736	0.8
465.06586	4.4
553.05133	1.0
597.05383	1.2
615.06366	2.0
617.07861	23.0
618.08154	2.8
747.04840	1.5
749.06177	9.0
765.05286	1.5
767.07520	12.7
768.07617	1.8
891.08960	1.1
907.08881	1.1
909.09802	1.0
917.06616	9.6
918.07465	1.7
935.07886	25.3
936.08362	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	953.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47095	0.8
67.01758	1.9
69.03305	1.5
71.00499	2.2
71.01257	1.8
79.01769	1.8
81.03345	1.5
85.02824	1.2
89.03852	1.1
93.03365	1.2
95.01261	12.1
97.02852	2.3
97.41969	1.1
97.76628	0.9
101.03896	0.9
105.03362	2.0
107.01282	9.0
109.02871	1.5
111.00769	2.5
113.02283	1.0
115.01816	1.1
117.03342	6.9
119.01395	0.9
119.04918	3.3
121.02861	1.2
123.00773	20.4
123.01648	1.5
123.04419	1.5
123.89623	0.8
124.01563	2.7
125.02335	58.0
126.02660	1.5
129.03362	1.3
131.01257	1.1
132.02112	0.9
133.02867	6.8
135.00792	1.0
135.04390	1.7
136.98735	0.9
137.02338	1.9
139.00270	2.6
140.01070	3.1
141.01897	1.2
143.01288	3.3
144.01898	0.9
145.02852	21.8
147.00790	1.7
147.04408	5.3
149.02338	2.7
151.00240	2.4
152.91685	1.1
157.02827	4.8
159.00827	1.5
159.04436	2.7
160.01645	1.4
161.02353	15.9
163.00259	4.1
163.03888	10.3
164.00893	1.0
165.01866	2.3
166.99747	5.5
168.00549	4.3
169.01334	54.2
170.01692	1.2
171.00748	9.4
172.01518	3.2
173.02359	20.6
174.03076	1.8
175.03880	4.8
176.01088	2.1
177.01855	5.7
179.03487	2.0
185.02415	6.2
187.00276	3.7
187.03932	2.2
188.01060	2.6
189.01860	23.3
190.02603	4.0
190.99820	1.6
191.03394	13.0
192.00552	1.2
193.01372	2.7
197.06013	1.2
199.00317	5.6
199.03957	1.0
200.01033	6.5
201.01852	24.9
202.99774	1.0
203.03424	6.2
205.01280	2.3
211.02315	1.5
213.01901	1.6
214.99789	4.9
215.03355	2.2
216.00560	4.9
217.01366	34.8
218.01921	3.8
219.02931	6.4
221.00783	1.3
221.04425	1.3
226.99788	10.4
227.03381	1.9
228.00587	5.3
229.01369	25.0
230.02029	5.1
230.99435	1.2
231.02893	9.0
233.00888	2.1
235.02184	1.3
237.05534	1.2
242.99284	8.1
243.02995	2.2
244.00034	5.6
245.00873	56.7
246.01375	3.9
247.02432	29.8
248.02902	1.7
249.03905	1.7
254.99258	3.6
255.03012	1.1
257.00903	9.6
258.01544	1.3
259.02396	1.8
261.00351	5.9
262.00702	1.2
267.02853	2.3
269.00888	1.2
269.04486	1.0
270.98856	20.5
271.02133	1.6
271.99533	5.3
273.00400	83.3
274.00931	9.3
275.01956	17.6
281.00912	1.2
282.01709	1.1
283.02701	2.0
283.99655	3.9
288.99869	2.7
290.00211	1.0
291.01389	5.3
295.04919	2.4
298.98318	26.5
299.01727	2.5
299.99088	20.0
300.02380	0.7
300.99875	100.0
302.00186	6.2
313.05795	2.0
315.01416	2.6
316.99374	14.6
327.01346	2.4
333.49066	1.1
341.03165	1.2
343.01019	2.9
355.04578	1.2
357.06125	1.2
383.03976	1.4
401.05231	1.3
465.07022	4.6
551.04755	1.8
553.06531	2.1
597.04932	2.2
615.06323	1.6
617.07721	15.8
618.08008	1.8
629.43652	1.2
721.06525	1.3
739.08667	1.5
747.04834	3.2
749.06464	17.2
750.06512	2.3
765.06317	3.1
767.07385	24.1
768.07562	3.6
873.07758	1.4
907.08612	1.2
917.06805	17.5
918.07410	3.6
935.07654	12.9
936.08862	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	953.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	1.6
69.03329	1.4
69.29987	3.8
69.30413	3.2
71.01265	1.7
79.01775	0.9
79.28658	0.7
85.02833	1.2
89.03863	1.3
93.03310	1.3
95.01257	7.8
97.02824	2.4
98.19746	1.5
105.03358	1.0
107.01277	6.1
109.02876	1.2
110.94278	0.8
111.00758	1.7
117.03343	6.2
119.04921	3.3
121.02821	1.1
123.00773	14.2
124.01577	1.3
125.02334	41.0
126.02631	1.1
129.03342	0.8
130.05864	0.8
132.02061	1.0
133.02853	5.7
135.04459	1.6
139.00293	2.6
140.01003	1.6
141.01794	1.0
143.01253	2.0
143.04877	1.0
145.02852	16.3
146.03540	0.7
147.04468	4.7
149.02345	2.5
151.00288	2.9
157.02847	3.7
159.04399	1.1
161.02345	13.7
162.02776	0.8
163.00291	2.1
163.03929	7.7
165.01909	1.1
166.99776	3.4
168.00531	3.8
169.01335	50.1
170.01741	1.8
171.00819	4.7
172.01579	0.9
173.02347	19.8
174.03014	1.5
175.00291	1.3
175.03879	4.6
177.01869	3.8
178.99898	0.9
179.03383	2.9
180.96150	0.8
185.02362	3.6
187.00389	1.4
188.01045	0.8
189.01854	20.4
190.02545	3.4
190.99751	1.3
191.03430	10.5
193.01291	2.3
199.00226	3.7
200.01108	3.2
201.01862	15.8
203.03471	5.2
205.01347	2.6
207.02989	1.0
211.02249	1.2
213.01913	1.4
214.99820	2.4
215.03525	1.1
216.00514	3.9
217.01366	31.2
218.01962	2.1
219.02937	6.4
221.04532	1.3
226.99814	5.1
227.03474	0.9
228.00514	2.8
229.01390	13.1
230.01939	2.9
231.02965	5.4
233.00819	1.6
235.02390	1.3
242.99286	4.2
244.00186	3.8
245.00876	59.3
246.01282	4.0
247.02470	28.9
247.05063	1.0
248.02773	1.4
249.04103	1.2
254.99344	2.5
257.00903	6.3
258.01605	1.4
259.02499	1.0
261.00464	6.5
263.01865	1.7
267.02924	1.4
269.01108	0.9
270.98837	8.7
271.01978	1.6
271.99451	2.2
273.00397	100.0
274.00916	8.8
275.01953	17.2
276.02200	1.1
283.02347	1.1
283.99542	1.7
287.01743	0.9
288.99905	3.2
291.01523	5.6
295.04810	1.4
298.83313	0.9
298.98346	14.3
299.01776	1.0
299.99097	13.4
300.99878	72.3
302.00220	4.5
313.05661	2.7
316.02234	2.3
316.99368	24.4
317.99780	1.1
327.01480	1.8
329.03140	0.9
343.00888	1.3
383.04056	1.3
436.12164	0.8
445.03751	1.0
447.06006	1.3
463.08728	1.5
465.06787	3.8
597.05505	1.7
615.06421	2.3
617.07819	28.0
618.08264	3.2
739.08673	1.0
747.04895	1.7
749.06073	6.2
765.05719	1.6
767.07294	11.4
768.07721	1.3
885.51892	1.0
907.08057	1.2
917.06769	7.9
918.07172	1.3
935.07928	21.9
936.07819	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	951.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	6.5
71.19343	0.8
72.99182	0.5
73.02806	1.2
75.00741	0.6
79.95594	0.9
80.04924	1.2
80.96378	0.5
83.01259	1.2
85.02820	2.3
87.00738	0.6
89.02325	3.6
92.04916	0.6
95.01253	1.4
96.95900	2.3
96.96967	0.4
100.61443	0.4
101.02317	4.1
106.06504	1.2
107.01274	0.9
112.93633	1.9
113.02339	2.1
114.93166	1.0
117.03335	0.8
119.03394	1.4
119.04922	0.5
120.04416	0.7
120.08068	1.3
121.02833	0.5
121.05230	1.6
122.06010	10.9
123.00756	1.6
125.02384	2.8
129.03416	0.4
132.04456	4.2
133.02863	0.9
134.06015	8.1
137.02364	3.3
145.02838	2.3
145.05244	0.4
147.04420	0.9
148.07570	0.9
151.00272	1.2
152.07048	0.9
159.04399	0.5
160.06326	5.4
161.02332	2.2
163.00224	1.1
163.03938	1.2
165.01851	16.8
166.02562	1.5
166.99733	1.4
169.01331	2.0
171.00764	0.6
173.02362	2.7
175.03874	1.2
177.01805	1.0
179.03423	2.6
180.04195	9.6
181.04990	1.7
185.02377	1.3
187.00189	1.0
189.01839	2.7
190.02618	0.7
191.03397	1.8
195.02911	0.5
195.06549	11.3
198.12892	0.5
201.01849	2.7
203.03360	1.5
205.01411	0.6
210.05304	2.3
213.10277	25.9
214.10576	1.1
214.12444	0.5
214.99815	1.2
216.00620	0.8
217.01311	3.2
219.02861	0.9
225.07623	10.3
225.10237	3.3
226.11034	2.4
227.11674	1.3
229.01375	3.9
231.02888	1.1
236.09518	0.6
239.11850	8.2
240.12376	0.7
241.13441	14.8
242.13680	0.6
242.99397	2.1
244.00110	1.1
245.00862	5.2
246.01366	0.6
247.02454	2.1
249.03888	0.9
251.08215	1.7
251.11894	2.8
253.13408	0.8
256.03912	0.4
257.00891	2.1
258.01276	0.7
261.00433	0.8
261.10449	0.5
263.07806	1.0
267.11380	5.4
267.15002	7.6
268.15363	0.6
269.12936	0.9
270.98843	6.7
273.00394	7.9
274.00916	1.5
275.01984	5.2
276.02267	0.7
279.11365	10.6
280.11826	0.6
283.99564	1.5
285.12442	49.3
286.12726	2.8
291.01440	0.8
293.12964	1.3
298.98346	6.5
299.99039	5.3
300.99875	45.5
302.00235	4.1
306.80865	0.4
307.10303	1.5
314.12799	0.8
316.14551	1.7
316.99423	0.7
327.13437	2.1
331.14618	0.5
342.12393	1.5
346.15369	0.7
356.14087	0.6
357.14789	0.5
358.15573	7.5
359.15738	0.8
370.15564	0.8
374.18842	0.6
377.35394	0.5
386.18692	0.9
387.14832	0.7
417.15790	2.3
445.04239	1.1
459.17694	1.9
461.03616	1.4
463.05170	1.3
463.21494	0.7
505.22400	0.6
613.04529	0.6
643.23724	3.5
673.27972	0.7
685.28839	1.4
701.32037	1.5
717.31683	0.5
727.29883	10.9
728.29877	1.2
745.30902	100.0
746.31323	13.0
787.31903	7.4
788.32684	0.8
933.06262	2.6
934.06610	1.3
951.34137	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	951.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30357	1.8
69.30777	1.5
72.10921	0.3
81.08873	0.3
95.01263	1.5
101.03862	0.4
105.03386	0.3
111.00730	0.4
117.03358	1.9
119.04917	0.9
120.18402	0.3
121.02823	0.7
123.00776	2.4
125.02323	2.6
129.03316	0.7
132.02098	0.4
133.02846	1.4
135.04369	0.4
143.01230	0.5
145.02863	4.4
147.04402	1.7
148.01527	0.3
149.02333	0.4
151.00267	0.4
157.02864	1.4
159.00806	0.6
159.04404	0.7
160.01535	0.6
161.02367	4.0
163.00261	0.9
163.03928	2.0
166.99786	1.6
169.01373	2.4
171.00790	0.8
173.02328	4.6
174.03076	0.5
175.03938	2.1
176.00983	0.5
177.01813	1.6
179.03395	0.4
185.02359	2.9
187.00287	1.0
187.03906	0.4
188.01012	0.5
189.01871	5.0
190.02631	1.7
191.03410	3.3
192.03764	0.4
199.00266	0.5
200.01044	1.1
201.01891	5.3
202.02515	0.4
203.03444	2.5
205.01228	0.4
209.00890	0.4
213.01825	0.7
214.02498	0.4
214.99806	1.8
216.00507	1.3
217.01360	6.6
218.02141	0.7
219.02925	1.4
226.02676	0.4
226.99806	1.1
229.01382	7.2
230.01974	0.6
231.02957	1.4
233.00838	0.8
242.99287	4.5
243.99980	1.3
245.00870	11.7
246.01459	1.1
247.02414	5.2
248.02991	0.7
249.04053	2.1
254.99263	0.5
257.00870	5.0
258.01657	1.2
261.00339	1.6
270.98825	13.1
271.99548	1.8
273.00400	17.4
274.01102	2.2
275.01959	10.5
276.02341	0.7
283.99594	2.2
285.00259	0.5
288.99826	0.6
290.00375	0.6
291.01495	1.8
298.94870	0.6
298.98322	16.5
299.99063	8.3
300.99878	100.0
302.00208	5.0
303.00381	0.4
315.01309	0.6
316.99472	2.1
343.01019	1.2
427.03326	0.4
433.03998	0.7
435.05502	0.7
443.02548	0.5
445.04327	1.9
446.04459	0.4
461.03607	2.3
463.05164	2.8
470.43042	0.4
613.04852	1.8
615.06232	0.4
615.44958	0.4
692.67450	0.3
763.04816	0.6
765.05084	1.1
910.73865	0.4
915.05573	1.0
916.06989	0.4
933.06500	10.5
933.25055	0.7
934.06848	2.0
951.07788	1.1
952.08899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	6.5
71.19343	0.8
72.99182	0.5
73.02806	1.2
75.00741	0.6
79.95594	0.9
80.04924	1.2
80.96378	0.5
83.01259	1.2
85.02820	2.3
87.00738	0.6
89.02325	3.6
92.04916	0.6
95.01253	1.4
96.95900	2.3
96.96967	0.4
100.61443	0.4
101.02317	4.1
106.06504	1.2
107.01274	0.9
112.93633	1.9
113.02339	2.1
114.93166	1.0
117.03335	0.8
119.03394	1.4
119.04922	0.5
120.04416	0.7
120.08068	1.3
121.02833	0.5
121.05230	1.6
122.06010	10.9
123.00756	1.6
125.02384	2.8
129.03416	0.4
132.04456	4.2
133.02863	0.9
134.06015	8.1
137.02364	3.3
145.02838	2.3
145.05244	0.4
147.04420	0.9
148.07570	0.9
151.00272	1.2
152.07048	0.9
159.04399	0.5
160.06326	5.4
161.02332	2.2
163.00224	1.1
163.03938	1.2
165.01851	16.8
166.02562	1.5
166.99733	1.4
169.01331	2.0
171.00764	0.6
173.02362	2.7
175.03874	1.2
177.01805	1.0
179.03423	2.6
180.04195	9.6
181.04990	1.7
185.02377	1.3
187.00189	1.0
189.01839	2.7
190.02618	0.7
191.03397	1.8
195.02911	0.5
195.06549	11.3
198.12892	0.5
201.01849	2.7
203.03360	1.5
205.01411	0.6
210.05304	2.3
213.10277	25.9
214.10576	1.1
214.12444	0.5
214.99815	1.2
216.00620	0.8
217.01311	3.2
219.02861	0.9
225.07623	10.3
225.10237	3.3
226.11034	2.4
227.11674	1.3
229.01375	3.9
231.02888	1.1
236.09518	0.6
239.11850	8.2
240.12376	0.7
241.13441	14.8
242.13680	0.6
242.99397	2.1
244.00110	1.1
245.00862	5.2
246.01366	0.6
247.02454	2.1
249.03888	0.9
251.08215	1.7
251.11894	2.8
253.13408	0.8
256.03912	0.4
257.00891	2.1
258.01276	0.7
261.00433	0.8
261.10449	0.5
263.07806	1.0
267.11380	5.4
267.15002	7.6
268.15363	0.6
269.12936	0.9
270.98843	6.7
273.00394	7.9
274.00916	1.5
275.01984	5.2
276.02267	0.7
279.11365	10.6
280.11826	0.6
283.99564	1.5
285.12442	49.3
286.12726	2.8
291.01440	0.8
293.12964	1.3
298.98346	6.5
299.99039	5.3
300.99875	45.5
302.00235	4.1
306.80865	0.4
307.10303	1.5
314.12799	0.8
316.14551	1.7
316.99423	0.7
327.13437	2.1
331.14618	0.5
342.12393	1.5
346.15369	0.7
356.14087	0.6
357.14789	0.5
358.15573	7.5
359.15738	0.8
370.15564	0.8
374.18842	0.6
377.35394	0.5
386.18692	0.9
387.14832	0.7
417.15790	2.3
445.04239	1.1
459.17694	1.9
461.03616	1.4
463.05170	1.3
463.21494	0.7
505.22400	0.6
613.04529	0.6
643.23724	3.5
673.27972	0.7
685.28839	1.4
701.32037	1.5
717.31683	0.5
727.29883	10.9
728.29877	1.2
745.30902	100.0
746.31323	13.0
787.31903	7.4
788.32684	0.8
933.06262	2.6
934.06610	1.3
951.34137	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	951.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
73.64775	0.2
89.03834	0.5
95.01260	1.3
101.03873	0.3
105.03369	0.3
107.01282	0.4
117.03371	1.5
119.01263	0.2
119.04922	0.7
121.02854	0.4
123.00772	3.0
123.04376	0.3
124.01565	0.3
125.02354	2.7
127.65727	0.2
129.03363	0.4
131.01315	0.5
131.04932	0.3
132.02022	0.4
133.02841	1.6
135.04395	0.5
137.02327	0.4
143.01299	0.3
145.02855	4.4
146.03294	0.2
147.00760	0.3
147.04414	1.6
149.02338	0.5
151.00177	0.2
157.02812	1.0
158.03503	0.2
159.00717	0.3
159.04388	0.8
160.01550	0.4
161.02354	3.9
163.00272	0.7
163.03894	2.2
164.00856	0.3
165.01863	0.4
166.99756	1.1
169.01329	2.7
171.00768	1.1
171.04494	0.3
172.01543	0.4
173.02357	4.4
174.03061	0.4
175.00209	0.3
175.03917	2.0
176.00992	0.2
177.01796	1.5
178.99910	0.3
179.03416	0.5
185.02367	3.0
187.00307	1.6
187.03970	0.3
188.00868	0.5
188.71954	0.2
189.01857	5.5
190.02626	1.4
190.99776	0.3
191.03419	3.4
192.00548	0.3
193.01318	0.3
199.00308	1.2
200.01070	0.8
201.01855	5.3
201.03732	0.3
202.02478	0.2
202.99872	0.2
203.03418	2.9
205.01326	0.6
207.02892	0.3
209.00835	0.3
213.01924	1.0
214.02582	0.3
214.99786	2.2
216.00594	1.4
217.01363	6.6
217.04623	0.3
218.02017	0.8
218.99353	0.2
219.02902	1.7
221.04369	0.3
226.02641	0.4
226.99838	1.6
227.03326	0.3
228.00565	0.6
229.01382	7.5
229.04794	0.3
229.73961	0.2
230.01970	0.6
230.99446	0.4
231.02937	2.7
232.00024	0.4
232.03412	0.2
233.00876	0.8
233.04520	0.3
235.02252	0.2
242.99333	4.5
243.01950	0.3
243.02951	0.5
244.00116	1.6
245.00880	13.9
246.01413	1.0
247.02441	6.4
248.02960	0.6
249.03964	2.5
250.04498	0.2
253.05092	0.2
254.02238	0.2
254.99326	0.6
255.02965	0.4
257.00891	5.0
258.01523	1.2
259.02298	0.7
259.99561	0.5
261.00366	1.8
263.01822	0.5
267.02979	0.5
269.01016	0.3
269.04492	0.3
270.98834	14.2
271.99338	1.7
273.00397	22.1
274.00995	2.3
275.01968	12.9
275.05057	0.4
275.69220	0.3
276.02277	0.7
283.02411	0.3
283.99646	2.4
285.00446	0.7
286.98447	0.4
287.01685	0.2
289.00046	0.7
290.00790	0.4
291.01413	2.5
297.00839	0.2
298.98349	18.3
299.99072	8.6
300.99878	100.0
302.00220	5.9
309.04022	0.3
311.01971	0.4
312.99942	0.5
314.00662	0.3
315.01419	0.8
316.99374	2.8
317.99576	0.3
319.00687	0.3
339.05063	0.2
341.03143	0.3
343.00885	1.7
401.05078	0.2
417.04596	0.4
419.06461	0.5
433.03946	0.5
434.94049	0.2
435.05734	0.4
443.02689	0.8
445.04071	2.1
461.03635	2.4
463.05124	3.0
479.04651	0.3
502.99829	0.2
569.06085	0.3
595.04071	0.3
597.05322	0.3
603.06525	0.4
613.04639	2.5
614.05261	0.3
615.06360	1.2
631.05695	0.6
729.03455	0.4
747.05206	0.4
763.04010	0.5
765.05627	1.3
889.07031	0.3
897.04413	0.4
905.06775	0.3
915.05304	0.8
933.06372	8.8
934.07129	1.3
951.07660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04705	0.9
79.14330	0.5
89.03860	0.9
95.01264	2.1
97.02792	0.5
105.03336	0.7
107.01214	1.4
107.04876	0.7
109.02835	1.1
111.00827	0.6
117.03351	2.7
119.04912	2.0
120.35929	0.5
121.02823	1.1
123.00771	4.7
124.01520	0.5
125.02327	5.6
127.67268	0.6
129.03363	1.0
131.04915	0.9
132.02014	0.6
133.02835	3.4
135.04408	1.2
137.02315	1.0
143.01280	0.9
145.02844	8.0
146.03569	0.5
147.00798	1.0
147.04417	3.7
148.01505	0.5
149.02367	1.1
156.02020	0.5
157.02837	1.6
158.03516	0.6
159.04416	1.8
161.02365	6.2
163.00269	0.9
163.03918	4.1
164.01065	0.9
166.99805	0.7
169.01341	4.4
171.00806	2.2
172.01476	0.7
173.02348	7.4
174.03006	0.9
175.03920	4.4
177.01860	2.2
179.03346	1.0
185.02391	3.3
187.00252	1.8
187.03853	0.6
188.01186	0.6
189.01842	9.2
190.02670	3.8
191.03438	10.2
192.03847	0.7
193.01228	0.5
199.00333	2.8
200.01074	1.4
201.01875	7.2
203.03442	6.2
205.01312	1.4
207.02901	0.6
209.00792	0.8
213.01787	1.5
214.99847	2.3
216.00543	2.0
217.01367	13.7
218.02086	1.4
219.02934	5.5
221.04547	1.2
226.99747	3.7
227.03297	0.7
228.00577	1.4
229.01350	12.2
230.02028	1.2
231.02940	4.2
232.00229	0.6
233.00848	1.4
235.02365	1.4
242.99231	2.6
243.03036	0.7
244.00107	2.2
245.00888	20.9
246.01448	2.1
247.02441	26.1
248.02971	1.2
249.04007	6.7
254.99312	1.4
256.60010	0.6
257.00879	6.1
258.01651	2.2
259.02560	0.6
261.00366	2.8
263.01920	1.4
270.98807	8.0
271.99582	1.2
273.00397	40.3
274.00974	3.4
275.01974	25.3
276.02289	1.6
278.37881	0.5
283.99631	2.2
284.02554	0.5
285.00272	0.6
288.99924	1.8
290.00427	1.3
291.01480	10.2
298.98322	21.5
299.99057	10.3
300.99881	100.0
302.00208	5.2
312.99835	0.7
315.01382	1.3
316.99371	5.9
319.00781	0.8
343.00931	1.2
412.34369	0.5
415.03690	0.6
417.04727	0.7
419.06253	1.3
435.05527	1.3
437.07379	0.9
445.04169	1.1
461.04031	0.8
463.05188	1.0
472.11343	0.5
479.04184	0.7
571.07910	0.6
587.06842	1.4
603.06226	5.2
605.07831	1.9
613.04675	19.5
614.04962	1.8
615.06427	1.6
631.05890	4.6
632.06946	0.6
737.05225	0.9
889.08722	1.2
907.08636	1.2
908.09576	0.8
933.06427	7.5
934.06067	1.3
951.07324	12.3
952.07227	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	951.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79699	2.5
69.80110	1.4
95.01276	1.8
117.03328	2.1
119.04869	0.8
123.00774	2.8
125.02332	2.2
126.79998	0.6
129.03365	0.8
133.02831	2.3
142.13867	0.7
145.02846	5.9
147.04417	1.9
157.02829	1.1
159.00754	0.8
160.01492	0.8
161.02333	4.0
163.03903	3.1
169.01329	2.2
171.00749	1.3
172.01514	0.9
173.02332	5.8
175.03896	1.6
177.01862	1.5
185.02348	2.9
187.00217	2.1
187.03874	0.7
189.01845	5.0
190.02556	1.5
191.03403	3.1
199.00299	1.1
201.01871	5.8
203.03436	3.4
207.02611	0.8
214.99774	2.8
216.00479	0.8
217.01341	7.6
219.02953	2.0
226.99892	2.2
228.00560	1.0
229.01360	9.3
231.02907	3.1
242.99278	5.4
244.00064	1.2
245.00854	13.7
246.01277	1.2
247.02446	5.0
249.04045	2.6
257.00842	5.3
258.01611	1.1
261.00308	2.4
270.98828	14.9
271.99451	1.7
273.00403	17.5
274.00992	2.9
275.01938	10.8
283.99576	2.6
291.01471	2.0
298.98367	13.4
299.01627	0.7
299.99115	9.2
300.99878	100.0
302.00372	5.3
316.99442	1.6
443.02701	0.8
445.03995	2.0
461.03589	1.8
463.05164	2.1
887.85480	0.8
933.06287	8.0
934.06610	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
73.48155	0.2
81.85684	0.2
88.63123	0.2
90.80518	0.3
95.01275	1.7
117.03328	1.5
119.01236	0.3
119.04893	0.5
123.00746	2.7
125.02341	2.2
129.03358	0.5
131.01256	0.2
131.04883	0.4
132.02101	0.5
133.02846	1.2
135.04411	0.6
137.02321	0.3
145.02838	4.2
147.00783	0.4
147.04431	1.2
148.01566	0.3
149.02309	0.6
157.02856	1.1
159.00790	0.5
159.04413	0.7
160.01506	0.4
161.02354	2.9
163.00229	0.8
163.03905	2.1
165.01778	0.3
166.99741	1.0
169.01382	2.9
169.02783	0.5
171.00763	0.5
172.01453	0.5
173.02338	3.9
174.02898	0.3
175.03888	1.7
177.01839	1.5
179.03337	0.5
185.02345	2.3
187.00279	1.3
187.03906	0.4
188.01146	0.3
189.01855	3.9
190.02614	1.1
191.03398	2.7
199.00299	1.0
199.03865	0.3
200.01096	0.5
201.01889	4.8
202.99785	0.3
203.03416	2.7
205.01352	0.6
207.02898	0.3
209.00786	0.3
211.03976	0.4
213.01910	0.6
214.02687	0.3
214.99855	1.9
216.00522	1.3
217.01373	6.1
218.02003	0.5
219.02817	1.2
226.99850	1.2
227.03342	0.3
228.00497	0.5
228.18439	0.2
229.01364	7.4
230.02075	0.6
231.02901	2.1
233.00934	0.9
239.71419	0.3
241.05080	0.2
242.99292	3.5
244.00101	1.6
245.00871	11.0
246.01451	0.8
247.02457	5.1
248.02975	0.6
249.03979	2.4
254.99297	0.6
257.00858	4.5
258.01532	1.0
259.99619	0.3
261.00381	1.7
267.02930	0.4
270.98825	12.9
271.99405	1.2
273.00394	19.9
274.01105	1.8
275.01956	10.3
276.02359	0.6
282.34448	0.3
283.99686	2.0
287.02097	0.4
288.99976	0.6
290.00385	0.4
291.01361	1.6
298.98325	18.1
299.99069	8.4
300.02573	0.3
300.99875	100.0
302.00204	5.0
313.00061	0.4
315.01407	0.6
316.99380	2.4
319.01111	0.3
343.00839	1.5
389.05066	0.3
390.65622	0.3
417.04691	0.3
433.04184	0.8
443.02435	0.8
445.04004	2.5
446.04816	0.3
461.03607	3.1
463.05209	3.5
464.05121	0.4
479.04565	0.3
572.90167	0.3
595.03760	0.3
603.05414	0.3
613.04559	1.8
614.04651	0.3
615.06287	0.4
631.05426	0.5
737.05920	0.3
763.04437	0.4
765.06061	1.7
897.04553	0.6
915.05927	0.7
916.06256	0.3
933.06323	11.9
934.06366	2.0
951.07495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42273	0.5
71.42653	0.3
88.77495	0.3
89.03836	0.5
95.01257	1.2
103.14994	0.3
111.00787	0.4
117.03368	1.6
119.04905	0.7
120.77920	0.3
123.00779	1.4
125.02336	2.3
129.03326	0.6
130.51294	0.4
131.01250	0.5
133.02876	1.7
135.90819	0.4
137.02344	0.5
143.01295	0.3
145.02837	4.6
147.00748	0.5
147.04413	1.5
149.02295	0.6
157.02829	1.3
159.00807	0.9
159.04457	0.5
160.01521	0.8
161.02365	3.7
161.67491	0.3
162.02777	0.5
163.03932	2.7
166.99739	1.5
169.01340	3.0
171.00798	0.7
172.01642	0.5
173.02379	4.8
175.00302	0.4
175.03909	1.8
177.01843	1.3
185.02377	3.5
187.00269	1.1
189.01851	5.0
190.02609	1.3
191.03450	3.6
199.00281	1.0
200.01060	0.8
201.01869	5.2
203.03415	2.4
205.01360	0.9
213.01949	0.5
214.99792	1.8
216.00533	1.5
216.99399	0.5
217.01378	6.8
218.02043	0.8
219.02942	1.5
221.04564	0.4
226.99774	0.9
227.03439	0.4
228.00459	0.8
229.01360	7.5
230.01924	0.5
231.02969	1.6
233.00853	0.6
242.99315	3.9
244.00046	1.2
245.00885	11.4
246.01479	0.9
247.02437	5.7
249.03979	1.9
254.99234	0.5
256.00180	0.5
257.00891	5.0
258.01608	1.6
261.00391	1.7
270.98837	10.4
271.99362	1.3
273.00391	17.7
274.01019	1.8
275.01962	8.6
276.02454	0.5
283.99619	2.3
288.99774	0.8
291.01416	1.8
298.98318	14.7
299.99060	8.6
300.99875	100.0
302.00214	5.4
312.99963	0.5
316.99310	2.2
340.99350	0.4
417.04776	0.5
433.04007	0.9
435.05627	0.7
443.02658	0.9
445.04053	2.5
461.03488	3.0
462.03992	0.5
463.05292	3.4
478.65967	0.4
569.05634	0.5
613.04700	1.5
615.06476	0.6
727.23749	0.3
763.03827	0.5
765.05853	1.3
915.06207	0.8
933.06403	11.4
933.25085	0.6
934.06262	2.3
951.07123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53309	0.7
95.01270	1.4
117.03339	1.4
119.01293	0.3
119.04922	0.9
121.02819	0.4
123.00744	2.5
125.02339	2.4
129.03355	0.5
132.02068	0.6
133.02831	1.9
135.04376	0.6
137.02274	0.4
143.01320	0.5
145.02858	4.7
147.00786	0.8
147.04414	1.8
149.02342	0.6
157.02850	1.3
159.00783	0.5
159.04410	0.8
161.02328	3.9
163.00333	0.6
163.03912	2.4
165.01804	0.5
166.99747	1.6
169.01341	2.8
171.00748	1.1
173.02345	6.3
175.00310	0.4
175.03914	1.9
177.01903	1.7
185.02354	3.8
187.00287	1.3
187.03912	0.5
188.00943	0.4
189.01840	6.6
190.02597	1.4
190.99846	0.4
191.03445	3.2
193.01364	0.5
199.00272	1.2
200.01085	0.9
201.01863	6.0
202.02336	0.8
203.03412	2.5
205.01315	0.6
213.01785	0.7
214.99849	2.4
215.03291	0.4
216.00597	0.9
217.01335	7.6
219.02960	1.3
226.99763	1.0
228.00572	1.0
229.01357	8.2
230.02074	1.0
231.02924	1.9
233.00761	0.4
242.99350	5.1
243.02986	0.5
244.00044	1.2
245.00874	10.9
245.03444	0.7
246.01384	1.0
247.02431	4.5
248.02769	0.4
249.04016	2.1
250.04332	0.4
254.99179	0.6
256.00131	0.4
257.00888	4.7
258.01578	1.0
261.00403	1.9
270.98816	13.1
271.99365	1.0
273.00394	15.8
274.00977	2.1
275.01984	8.1
276.02249	1.0
283.99582	2.9
285.00235	0.4
291.01385	1.5
298.98331	15.9
299.99066	8.5
300.99875	100.0
302.00229	6.7
315.01343	0.6
316.99368	2.2
319.01019	0.5
340.99411	0.4
343.00876	0.9
433.04132	0.9
435.05640	0.5
443.02600	1.3
445.03970	3.2
461.03635	2.8
463.05148	3.3
516.39740	0.4
569.05878	0.6
613.04541	1.4
615.06427	0.7
631.05560	0.4
752.37207	0.5
763.04572	0.5
765.05627	1.8
786.48193	0.4
897.03253	0.7
915.04608	1.0
933.06396	12.8
934.07043	2.7
951.07599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98318	0.2
70.16621	0.7
89.03815	0.3
95.01266	1.5
97.02838	0.3
98.19857	0.3
98.31171	0.2
101.03835	0.3
102.25893	0.2
105.03344	0.4
105.08594	0.2
107.01270	0.3
109.02819	0.2
111.00767	0.2
117.03358	1.7
119.01234	0.2
119.04931	0.7
121.02852	0.5
123.00783	2.3
124.01514	0.2
125.02334	2.1
129.03346	0.6
131.01302	0.4
131.04927	0.3
132.02000	0.2
133.02858	1.5
135.04414	0.7
137.02280	0.3
143.01204	0.4
145.02849	4.4
147.00739	0.5
147.04420	1.4
149.02342	0.4
157.02824	0.9
158.03583	0.3
159.00679	0.4
159.04402	0.7
160.01498	0.5
161.02351	3.7
163.00302	0.7
163.03915	2.3
164.01073	0.3
165.01764	0.3
166.99789	1.4
169.01349	2.3
171.00768	1.1
171.04378	0.3
172.01582	0.3
173.02353	4.5
174.02960	0.2
175.00284	0.2
175.03902	1.6
176.01074	0.2
177.01862	1.4
179.03447	0.3
184.01381	0.2
185.02362	2.6
186.02705	0.3
186.79242	0.2
187.00259	1.8
187.03951	0.5
188.00954	0.6
189.01878	4.1
190.02594	1.4
190.99840	0.2
191.03412	2.9
193.01303	0.3
199.00317	0.8
200.01079	0.7
200.98853	0.3
201.01865	4.6
202.02499	0.3
202.99922	0.3
203.03441	2.3
204.00652	0.2
205.01385	0.4
206.02151	0.2
207.02841	0.3
209.00768	0.3
211.04092	0.2
213.01849	0.5
213.05469	0.2
214.02654	0.4
214.99808	2.0
215.03348	0.3
216.00566	1.2
217.01370	6.4
218.02019	0.9
219.02921	1.5
226.99786	1.2
227.03421	0.3
228.00574	0.8
229.01384	7.4
230.01932	0.7
230.99283	0.3
231.02901	2.0
233.00830	0.6
235.02460	0.4
239.03378	0.3
242.99283	4.2
243.02965	0.3
244.00056	1.4
245.00890	11.5
246.01479	0.9
247.02443	5.6
248.02992	0.4
249.04022	1.8
253.01166	0.2
254.99333	0.6
257.00867	4.8
258.01682	0.7
258.98782	0.3
259.02414	0.3
259.99554	0.4
261.00385	1.8
267.02917	0.3
270.98834	12.5
271.99451	1.3
273.00388	18.1
274.01007	1.8
275.01971	9.7
276.02313	0.6
283.99655	2.0
285.00217	0.5
288.99860	0.5
291.01425	1.4
297.03806	0.2
298.94794	0.5
298.98328	16.5
299.99072	8.0
300.99875	100.0
302.00232	5.5
312.99963	0.4
314.00653	0.4
315.01465	0.7
316.99374	2.3
319.00894	0.3
340.99313	0.2
341.03143	0.2
343.01050	0.9
389.04898	0.2
405.04712	0.2
417.04514	0.3
419.06287	0.4
433.04025	0.7
435.05704	0.3
443.02618	1.0
445.04062	2.3
446.04736	0.2
461.03577	3.1
462.03967	0.4
463.05261	3.4
479.04636	0.2
569.05743	0.5
613.04761	1.3
615.06659	0.4
631.05621	0.5
729.03741	0.3
747.05347	0.3
763.04388	0.5
765.05859	1.1
780.92450	0.2
897.05438	0.4
915.05573	0.8
933.06451	9.6
934.06818	1.7
951.07312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.5
69.44670	7.1
71.01260	18.6
71.04900	2.1
73.02812	3.1
75.00714	1.0
75.28584	0.9
81.03342	1.5
83.01278	1.6
85.02808	3.4
87.00755	5.8
89.02312	7.8
89.88783	1.1
95.01299	1.1
95.04933	1.1
97.02837	9.9
97.06445	2.2
99.00761	19.4
101.02324	8.8
109.06451	1.3
110.03617	1.1
113.02345	6.3
119.03404	2.1
123.04406	1.1
123.08042	1.3
125.02339	6.9
125.09637	7.7
136.05194	1.4
142.02623	2.5
143.03374	1.1
161.04521	1.3
161.09541	1.0
163.11200	10.5
164.11356	1.1
181.10773	1.6
181.12270	18.6
199.13318	2.2
202.82608	0.9
207.10204	52.7
208.10486	2.7
221.06628	2.2
225.11282	86.7
226.11639	4.5
235.08142	2.6
243.12347	29.9
244.12720	2.1
277.21732	58.8
278.22113	2.1
300.99884	3.3
317.15988	1.4
379.12393	1.8
397.13605	11.6
415.14536	3.0
597.17743	1.1
605.24524	21.9
606.25171	2.3
623.25433	7.6
675.35474	1.3
883.46973	100.0
884.47314	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54356	0.5
71.01281	0.6
75.02277	0.7
87.69263	0.6
89.03836	0.9
95.01241	2.7
103.01776	0.7
107.01258	0.8
109.02895	0.7
111.00756	0.9
115.01805	0.8
117.03349	2.7
119.04919	1.2
121.02837	1.2
123.00779	4.2
125.02325	3.6
129.03394	0.7
131.01256	2.2
131.90744	0.5
132.02081	0.9
133.02805	3.9
135.04408	1.4
137.02377	0.6
143.01245	2.7
145.02850	9.3
147.00766	2.3
147.04483	2.9
149.02342	0.9
156.01994	0.5
157.02838	2.0
158.03596	0.6
159.00740	3.1
159.04388	0.7
160.01541	1.7
161.02335	9.0
163.00276	1.9
163.03932	4.9
166.99715	2.3
167.03340	0.6
167.87540	0.6
169.01360	3.1
171.00787	6.2
172.01480	1.5
173.02348	8.6
174.02901	0.8
175.00288	1.3
175.03911	2.0
176.00998	1.1
177.01825	3.6
179.03395	1.1
180.37971	0.6
183.04509	0.6
185.02354	3.5
187.00287	10.1
188.00978	1.4
189.01848	11.1
190.02563	2.0
190.99765	1.3
191.03438	6.8
192.03729	0.7
199.00310	4.5
200.01010	2.5
201.01859	10.1
202.02322	0.6
202.99828	0.6
203.03401	3.5
205.01299	1.9
207.02820	1.0
213.01794	0.9
214.02661	0.8
214.99808	13.7
216.00526	3.9
217.01376	13.2
218.01886	1.2
219.02896	2.7
226.99774	4.5
227.03372	0.9
228.00597	1.5
229.01378	9.5
229.53047	0.6
230.02139	1.0
230.99345	1.4
231.02994	3.3
233.00865	1.9
235.02306	0.9
242.99324	21.7
243.99908	2.4
245.00871	26.8
246.01357	1.9
247.02438	11.2
248.02855	0.9
249.04012	1.5
254.99405	2.4
257.00888	5.8
258.01584	0.8
258.98788	2.0
259.99612	1.9
261.00381	6.6
263.01935	1.7
270.98834	69.9
271.99243	4.9
273.00394	54.8
274.00949	4.3
275.01968	11.5
276.02271	0.7
283.02695	0.8
283.06058	0.7
283.99640	2.1
285.00317	0.8
286.98340	5.1
287.98657	0.9
288.99881	3.8
291.01434	3.9
298.98318	100.0
299.98938	16.6
300.99881	67.7
302.00226	4.1
316.99423	11.3
317.99692	0.8
389.05515	0.8
397.02322	0.7
399.03513	1.2
425.01752	0.7
431.02490	0.8
443.02777	1.5
461.03943	2.2
496.59805	0.5
556.39600	0.6
595.03754	3.2
601.04291	1.0
650.95618	0.6
689.04211	0.7
717.03986	0.8
745.03473	1.4
746.04480	0.6
813.04327	0.7
885.04218	1.3
895.03662	1.0
903.05005	1.0
913.04205	4.6
914.03851	1.0
931.05127	1.6
932.06525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01086	0.4
66.01895	0.3
68.80742	0.4
69.90415	1.9
82.68747	0.4
92.17632	0.4
95.01245	0.8
97.90822	0.4
98.19879	0.7
107.01272	1.1
108.95955	0.4
109.02830	0.7
109.99966	4.0
111.00760	2.6
120.52326	0.4
123.00750	1.7
124.01553	1.0
125.02320	1.3
136.98694	0.7
137.02332	2.1
137.98555	0.4
137.99442	2.3
139.00261	8.1
149.02380	0.8
151.00272	5.3
152.00931	0.6
155.03409	0.4
161.02379	0.6
163.00290	1.0
164.01054	1.5
165.01717	0.8
165.98976	8.0
166.99789	3.4
169.01352	0.9
171.04443	0.5
177.01872	0.5
178.56181	0.4
178.99782	7.9
180.00334	0.8
187.03923	0.9
188.04507	0.4
189.01765	0.5
190.99844	0.7
192.00497	1.1
193.01431	0.6
193.98503	0.6
194.99286	1.6
203.03400	1.1
205.01439	0.8
214.02650	2.8
215.03413	1.1
217.01241	0.6
219.02921	1.0
227.03520	0.4
230.02141	1.0
231.02850	1.1
242.02170	2.5
243.02968	2.3
245.00934	0.5
246.01347	0.6
258.01752	1.7
259.02414	3.6
260.03116	0.6
270.01678	2.7
271.02457	16.3
272.02795	1.3
273.00473	0.5
273.93445	0.4
275.01971	0.7
286.01181	1.7
287.01953	17.1
288.02484	1.4
300.99844	0.7
303.01419	2.9
314.00671	0.4
315.01428	7.6
316.02209	49.5
317.02887	12.0
318.03073	0.8
331.00824	1.5
332.01697	43.4
333.02380	13.0
463.08786	83.2
464.09039	8.6
465.09644	0.9
477.06891	0.5
478.07220	2.4
479.08264	100.0
480.08655	8.3
553.84076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.8
71.01250	17.9
71.04894	1.7
71.56004	1.7
72.99176	1.7
73.02803	3.0
75.00728	2.2
77.19385	1.0
81.03339	1.0
83.01238	1.6
85.02824	6.2
87.00759	9.6
89.02316	10.0
95.01281	1.4
95.04898	1.1
97.02830	12.9
97.06449	2.1
99.00755	24.0
101.02317	8.8
107.25751	0.8
109.06470	2.3
110.03614	1.6
111.04412	0.8
113.02321	5.8
119.03380	1.7
122.98633	0.8
123.04408	0.9
123.07991	1.3
125.02327	10.2
125.09611	5.8
135.08090	1.5
136.05202	1.5
137.92139	0.9
141.01820	0.8
142.02612	3.3
151.07501	1.2
161.04445	2.0
161.09610	1.7
163.11201	11.2
169.01338	0.8
179.05428	1.5
179.10695	1.0
181.12263	22.8
182.12674	1.6
197.11696	1.5
199.13329	5.4
207.10194	64.1
208.10507	3.1
219.05006	1.0
221.06573	1.4
223.13263	1.2
225.11270	95.7
226.11537	4.3
235.08168	2.7
243.12349	40.1
244.12563	1.1
263.07632	2.2
267.12589	1.1
277.21716	53.4
278.21985	2.6
287.07498	1.1
291.29358	0.8
305.08920	1.0
317.16040	3.1
331.07690	0.8
379.12274	2.4
397.13364	7.4
415.14655	1.5
425.18002	0.8
605.24542	32.0
606.24829	2.7
623.25537	31.1
624.25812	3.1
690.03314	0.9
739.43231	0.9
883.46954	100.0
884.47412	20.7
950.43591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01233	1.5
80.54735	0.9
87.00754	1.3
88.98670	1.1
94.92854	0.9
95.01259	1.8
96.95876	3.1
101.02339	1.0
107.01223	1.0
109.68945	0.9
123.00763	4.8
125.02352	8.2
126.02706	1.7
130.79999	0.9
139.00264	1.5
143.39893	0.9
149.02417	1.0
149.40985	0.9
161.02364	0.8
166.99747	2.8
169.01320	10.2
170.01648	1.7
176.89575	0.9
180.12254	0.9
229.01242	1.3
229.18130	1.1
270.98895	1.6
299.99240	1.3
301.00134	4.1
301.03159	1.3
607.31317	1.3
771.09436	3.0
903.66400	2.9
939.64178	100.0
940.64514	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	942.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	2.6
71.27860	4.5
92.73045	2.4
95.01271	11.7
97.02841	2.9
112.95213	2.3
117.03365	2.3
119.04900	5.1
123.00778	14.2
125.02337	87.5
133.02838	2.7
145.02840	11.1
148.33437	2.3
158.86752	2.2
159.00902	3.0
161.02350	10.6
163.00264	3.9
163.03964	5.7
166.99757	18.0
169.01337	100.0
170.01610	2.4
171.00755	3.5
173.02339	7.0
175.03946	2.6
179.03391	2.6
185.02332	4.5
189.01837	15.1
190.99831	2.6
191.03471	6.9
199.00334	4.7
201.01892	14.7
203.03467	4.3
214.99870	3.6
216.00641	4.4
217.01376	23.8
226.99803	5.4
228.00493	2.6
229.01445	9.2
231.02951	3.3
233.00914	5.5
242.99374	8.5
243.02960	3.9
244.00075	3.9
245.00871	32.0
247.02493	14.6
248.02966	2.9
254.99312	3.2
257.01001	4.9
261.00439	5.0
270.98825	20.9
271.99704	3.8
273.00388	53.5
274.00937	4.7
275.01877	11.3
285.00562	2.7
287.47391	2.4
298.98358	48.4
299.99072	13.9
300.99875	46.0
316.99338	5.7
389.05225	4.2
396.34027	2.6
405.04535	13.3
417.04495	6.9
433.04126	10.7
443.02658	13.8
445.04099	38.8
460.97437	4.5
461.03601	59.5
462.03943	5.8
463.05154	31.2
569.05853	7.5
603.06238	4.0
613.04688	57.8
614.05054	7.2
631.05756	27.3
632.05176	2.6
696.70770	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	937.493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42648	6.8
69.89856	5.9
70.23919	6.4
70.62463	22.0
71.01257	18.3
71.65228	6.8
88.19540	6.5
89.02332	14.5
96.95914	9.2
101.02315	12.4
114.98289	6.1
116.92744	27.0
124.65340	6.9
147.63623	6.3
159.62779	6.7
179.05602	8.0
200.46329	6.4
211.13292	100.0
277.21695	65.7
379.12372	18.8
397.13467	67.8
415.14301	10.2
458.29944	6.5
502.23029	7.1
591.26111	13.6
675.35278	15.2
793.37262	8.7
801.06616	8.5
869.49255	16.4
880.72791	8.8
937.48907	49.3
938.50421	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	939.1108
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.00195	0.7
67.01765	2.5
68.87957	0.4
69.03316	2.2
71.01235	1.5
72.99208	0.6
79.01771	2.1
81.03325	0.7
83.01257	1.1
84.01226	0.4
85.02826	0.6
95.01260	12.1
97.02819	3.1
99.00809	0.5
101.02384	0.5
105.03335	0.8
105.17395	0.4
107.01267	7.6
109.02836	1.0
111.00764	3.1
113.02333	1.0
117.03330	0.9
119.04870	1.0
122.24806	0.4
123.00768	31.9
124.01605	3.3
125.02332	85.1
126.02653	2.1
127.00237	0.6
130.58418	0.4
133.02841	0.8
133.06499	0.7
136.98706	1.7
137.02357	1.5
139.00267	5.3
140.01056	4.5
141.01782	2.4
143.04951	0.9
145.02826	1.9
147.04413	0.9
149.02367	0.9
151.00266	2.1
151.03903	0.7
153.01852	1.4
154.99736	0.7
159.04453	2.1
161.02344	3.5
162.02933	0.5
163.02631	0.4
163.03918	1.5
165.05429	0.4
166.99757	12.1
168.00557	9.5
169.01328	100.0
170.01706	2.7
171.04442	0.6
173.02341	1.1
174.03099	0.7
175.00209	0.4
175.03912	1.6
177.01802	2.7
178.99901	0.4
179.03419	1.2
181.01346	1.2
187.03908	2.5
189.01807	1.5
189.05521	2.0
190.02750	0.9
190.99751	0.6
191.03499	2.4
192.00462	0.7
193.01346	3.3
199.04015	0.5
203.03462	2.0
204.04060	0.8
205.01410	3.5
205.04951	2.1
206.01970	0.5
207.02933	1.6
211.02373	3.8
215.03461	1.7
216.00594	0.6
217.01369	1.3
217.04939	2.1
218.02269	0.4
219.03044	0.5
221.00937	1.1
221.04430	0.9
223.02473	0.7
231.02945	1.5
233.01007	0.6
233.04495	2.9
235.02466	1.8
235.06078	0.9
242.99236	0.5
244.00198	0.5
245.00899	1.1
246.01567	0.5
247.02441	0.8
248.98549	0.5
249.03986	1.4
251.05629	0.8
253.03459	0.6
259.02515	1.2
261.04062	2.0
263.05667	0.5
270.98657	0.6
271.04572	0.5
271.99411	0.5
273.00327	0.9
275.01974	0.9
276.98123	0.6
277.03458	4.2
277.92847	0.4
279.05035	2.5
288.99881	0.7
295.04648	4.3
297.06137	0.5
300.99832	2.3
302.00336	0.9
303.00949	0.5
304.97452	2.0
313.05618	5.4
321.02408	0.5
330.95554	1.2
348.96628	1.4
358.44336	0.5
385.05786	0.5
387.07230	0.5
403.06808	0.4
429.04620	1.3
431.06198	2.8
447.05402	3.7
449.07071	0.6
465.06772	4.3
491.04523	0.6
578.30267	0.4
599.06714	3.8
600.06696	0.4
601.08331	1.9
608.28601	0.4
617.07855	9.5
618.08215	1.4
635.08789	2.8
769.08881	50.2
770.09119	5.4
771.09705	0.6
786.08801	0.5
787.09888	15.5
788.10272	1.7
837.96100	0.5
939.11133	15.8
940.11444	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	937.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56549	1.8
71.56944	1.8
73.09233	1.5
75.74259	1.5
79.03367	1.7
80.50558	1.6
95.01292	2.4
102.97105	1.5
123.00784	2.5
125.02342	6.9
127.49606	1.5
133.02843	2.8
145.02803	5.9
152.33656	1.7
157.02922	2.3
161.02315	5.3
163.03909	3.9
169.01303	9.6
171.00751	2.4
173.02414	4.0
175.03928	2.2
184.45824	1.7
189.01830	7.0
190.02554	3.2
191.03380	9.8
199.00247	2.9
201.01822	6.0
203.03416	5.4
204.89659	1.8
214.99867	3.2
217.01347	23.2
218.01794	2.6
219.02892	4.7
226.99818	5.0
229.01378	7.0
231.02890	6.3
242.99286	2.7
244.00092	2.5
245.00868	31.5
246.01404	7.1
247.02432	100.0
248.02933	5.1
249.03996	4.4
257.00858	4.7
270.98840	11.2
271.01767	2.4
273.00406	70.1
273.03372	4.0
274.00803	9.8
275.02005	13.4
291.01465	19.1
296.37616	2.1
298.37994	1.7
298.98337	20.1
299.73236	1.6
299.99042	5.3
300.99875	38.9
301.03342	2.3
302.00198	5.1
316.99258	3.8
417.04700	4.0
435.05560	14.1
440.85602	1.7
453.06320	2.2
463.09103	3.9
619.08069	3.3
621.03723	2.1
719.05188	4.2
735.04541	21.6
736.05536	3.5
737.06317	3.6
753.05487	6.4
754.05603	2.3
785.08801	16.5
786.08893	2.9
887.05792	3.5
905.07129	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	937.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56549	1.8
71.56944	1.8
73.09233	1.5
75.74259	1.5
79.03367	1.7
80.50558	1.6
95.01292	2.4
102.97105	1.5
123.00784	2.5
125.02342	6.9
127.49606	1.5
133.02843	2.8
145.02803	5.9
152.33656	1.7
157.02922	2.3
161.02315	5.3
163.03909	3.9
169.01303	9.6
171.00751	2.4
173.02414	4.0
175.03928	2.2
184.45824	1.7
189.01830	7.0
190.02554	3.2
191.03380	9.8
199.00247	2.9
201.01822	6.0
203.03416	5.4
204.89659	1.8
214.99867	3.2
217.01347	23.2
218.01794	2.6
219.02892	4.7
226.99818	5.0
229.01378	7.0
231.02890	6.3
242.99286	2.7
244.00092	2.5
245.00868	31.5
246.01404	7.1
247.02432	100.0
248.02933	5.1
249.03996	4.4
257.00858	4.7
270.98840	11.2
271.01767	2.4
273.00406	70.1
273.03372	4.0
274.00803	9.8
275.02005	13.4
291.01465	19.1
296.37616	2.1
298.37994	1.7
298.98337	20.1
299.73236	1.6
299.99042	5.3
300.99875	38.9
301.03342	2.3
302.00198	5.1
316.99258	3.8
417.04700	4.0
435.05560	14.1
440.85602	1.7
453.06320	2.2
463.09103	3.9
619.08069	3.3
621.03723	2.1
719.05188	4.2
735.04541	21.6
736.05536	3.5
737.06317	3.6
753.05487	6.4
754.05603	2.3
785.08801	16.5
786.08893	2.9
887.05792	3.5
905.07129	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	937.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85690	11.8
71.01256	10.9
89.02303	7.3
96.56994	4.3
96.95869	6.1
99.92444	8.8
101.02325	8.2
113.02283	4.5
116.92741	100.0
129.95018	4.2
161.04355	4.8
162.07216	4.4
167.66946	4.7
169.01335	5.4
180.85570	4.2
187.41548	4.6
205.73671	4.7
211.13358	79.1
222.87416	5.0
277.21759	34.0
342.45120	5.2
379.12433	13.3
397.13547	31.2
415.14813	6.2
591.26770	11.0
609.27710	13.0
675.35553	8.2
690.93262	5.0
869.49213	9.1
937.49103	45.6
938.48944	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	935.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	2.6
67.01758	1.3
69.03313	1.5
69.43632	8.2
71.01272	1.2
79.01761	1.0
81.07571	0.9
95.01259	9.2
96.95943	1.1
97.02818	2.1
102.08078	1.1
105.03339	1.2
107.01282	6.3
108.43802	1.2
109.02850	0.9
115.01797	1.4
117.03342	5.4
119.04899	1.8
121.02808	1.6
123.00764	14.8
125.02339	38.2
126.29086	1.0
129.03374	2.5
131.01312	1.2
132.02054	1.3
133.02858	6.2
135.04448	1.9
137.69449	0.8
139.00279	1.9
140.01068	1.6
141.01894	0.9
143.01247	3.2
145.02861	14.2
147.00810	1.7
147.04405	2.7
148.01547	1.2
150.03084	0.9
151.00264	1.8
151.69710	0.8
157.02890	5.5
159.00696	1.1
159.04433	1.5
160.01602	1.4
161.02347	14.4
161.28046	1.3
162.02954	1.0
162.58133	1.0
163.00256	1.9
163.03918	7.2
166.99860	4.8
168.00557	2.9
169.01335	43.3
171.00787	7.0
172.01520	3.4
173.02348	16.7
174.03011	1.0
175.03911	3.3
177.01825	4.1
179.03386	2.9
181.01289	1.2
185.02390	5.4
187.00223	3.1
187.03931	1.9
188.00844	1.6
189.01849	16.6
190.02559	2.7
191.03465	6.1
193.01326	1.1
199.00266	6.4
200.01077	4.5
201.01881	16.4
203.03413	4.3
205.01231	1.7
211.03993	1.5
213.01868	1.6
214.99826	4.2
215.03331	1.8
216.00560	4.5
217.01352	26.2
218.02142	1.1
218.99628	1.0
219.02968	3.1
226.99869	7.6
228.00636	5.2
228.99153	1.7
229.01369	22.9
230.02089	2.7
231.02924	6.1
233.00774	1.5
235.30028	1.0
239.03339	1.2
242.99356	5.7
243.02989	1.6
244.00058	5.7
245.00885	52.5
246.01317	2.3
247.02449	11.9
249.04205	1.1
254.99301	3.1
257.00897	8.0
258.01566	2.6
259.02448	1.9
261.00491	5.1
266.02393	1.1
267.02911	3.0
270.98868	18.4
271.99515	3.2
273.00400	86.2
274.00983	7.9
275.01990	18.1
281.00858	0.9
281.04626	1.5
282.01678	1.0
283.02362	2.5
283.05917	1.4
283.99652	2.7
285.00375	1.2
288.99762	2.3
291.01413	3.4
293.04398	1.6
295.04642	3.0
297.04034	1.2
298.01111	1.4
298.98346	30.6
299.01804	2.2
299.99078	18.0
300.99884	100.0
302.00229	5.9
313.05618	2.5
315.01392	2.1
316.99487	12.1
317.03043	1.8
321.03854	1.2
327.01483	1.9
341.02905	1.1
343.00943	2.6
401.05557	1.4
428.73065	1.2
429.04370	1.2
445.04028	2.0
447.05740	2.0
465.06534	4.4
551.04828	1.9
553.06311	2.4
569.05505	1.8
571.06927	1.4
581.05450	1.1
597.05487	2.7
615.06238	3.6
617.07770	15.7
721.07245	1.5
747.04749	3.2
749.06335	24.7
750.07147	2.7
765.05914	3.2
767.07257	20.9
768.08240	1.6
873.08167	1.8
917.06683	11.2
935.07239	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	933.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	0.3
69.71507	2.6
86.62829	0.4
95.01289	1.9
102.75266	0.4
117.03341	1.9
119.04932	0.7
123.00785	2.1
124.45747	0.4
125.02325	2.6
129.03397	0.6
131.01318	0.6
133.02831	1.7
143.01324	0.6
145.02849	4.9
147.04355	1.1
149.02330	0.4
157.02837	1.2
159.00795	0.8
159.04411	0.7
160.01569	0.6
161.02332	3.9
163.03896	1.8
164.01031	0.4
166.99788	1.6
169.01375	2.6
171.00792	1.1
173.02362	5.2
175.03886	1.4
177.01851	1.4
185.02446	2.5
187.00317	2.2
188.00963	0.6
189.01854	5.3
189.03442	0.7
190.02513	1.2
191.03409	2.4
194.24818	0.4
198.53427	0.4
199.00307	1.1
200.01073	0.8
201.01888	4.7
203.03442	1.8
205.01414	0.6
213.01851	0.5
214.99773	2.9
216.00571	1.7
217.01393	6.3
218.01855	0.6
219.02989	1.0
226.99823	1.3
228.00522	1.1
229.01353	6.5
230.01895	0.5
231.02942	2.0
233.00917	0.6
242.99261	4.5
244.00046	1.7
245.00880	14.1
246.01503	0.7
247.02461	2.9
249.03966	2.1
254.99312	1.1
257.00943	3.6
258.01608	1.2
261.00427	2.1
270.98856	14.8
271.99280	2.5
273.00412	22.6
274.01016	2.3
275.01950	10.4
276.02310	0.8
283.99588	2.2
286.98331	0.5
288.99893	0.6
291.01349	1.1
298.98322	18.8
299.98990	9.4
300.99881	100.0
302.00223	5.6
312.99826	0.5
315.01566	0.5
316.99506	3.0
356.49780	0.4
405.04593	0.5
416.19672	0.4
417.04581	1.1
428.04718	0.4
433.04422	0.9
443.02634	0.8
445.04132	1.8
453.14270	0.4
461.03619	3.3
462.04004	0.4
463.05145	3.1
554.36829	0.4
569.06207	0.5
613.05011	1.3
615.05988	0.7
631.05524	0.5
763.03632	0.5
765.06287	0.9
905.07050	0.5
933.06372	5.9
934.06787	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	935.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	1.5
66.40834	0.7
67.01765	1.0
85.02805	0.9
89.03835	1.2
91.01775	0.9
95.01261	8.1
97.02824	1.0
99.79270	0.8
105.03339	1.1
107.01258	4.4
111.00765	1.7
117.03345	4.8
119.04919	2.2
121.02832	1.8
123.00768	10.8
125.02338	33.6
129.03357	1.8
132.02051	1.5
133.02826	6.1
135.04387	1.0
136.98630	0.9
137.02322	1.1
139.00276	1.4
140.01097	1.1
143.01297	2.3
144.20979	0.7
145.02861	15.3
147.00732	1.3
147.04454	4.3
147.94200	0.9
149.02347	1.3
151.00200	2.5
157.02843	2.8
159.00673	0.9
159.04372	1.3
160.01541	1.6
161.02350	16.3
163.00240	2.6
163.03879	5.9
166.99780	3.8
168.00552	2.8
169.01350	35.0
170.01672	1.1
171.00771	4.4
171.04468	0.9
172.01567	1.7
173.02342	15.2
175.00243	1.5
175.03894	2.1
177.01819	3.0
179.03401	3.6
185.02386	1.7
187.00290	2.4
187.03943	1.2
188.01088	1.2
189.01855	19.1
190.02583	1.4
190.99817	1.0
191.03416	5.2
193.01364	1.5
199.00279	4.1
200.01018	3.0
201.01865	12.7
202.99934	0.9
203.03485	4.0
204.00542	1.0
205.01306	1.9
207.02950	1.4
213.01923	1.7
214.02603	1.0
214.99803	3.6
215.03395	1.5
216.00555	4.0
217.01364	31.1
218.01859	2.4
219.02899	2.2
221.00853	1.0
226.99817	4.6
227.03227	0.9
228.00526	3.0
229.01389	15.9
229.50159	0.9
230.02231	1.6
231.02975	5.8
235.02325	1.6
241.01236	0.9
242.99203	5.2
243.03008	1.3
244.00179	4.3
245.00873	47.2
246.01289	3.5
247.02431	8.2
249.04033	1.3
252.51999	0.9
254.99251	2.1
257.00833	5.0
258.01712	1.4
259.02237	1.8
259.99432	1.0
261.00397	7.1
267.02991	1.4
270.98804	10.0
271.99460	2.5
273.00400	100.0
274.00839	5.8
275.01944	13.5
277.03415	2.2
283.02457	1.5
283.99527	2.5
285.00308	1.3
289.00024	5.0
290.00403	1.6
291.01434	3.7
293.04681	1.1
295.04669	1.8
298.98328	19.0
299.01675	1.0
299.99097	12.4
300.99899	77.1
302.00226	3.5
313.05530	2.5
315.01315	1.1
316.99384	25.1
317.02756	0.8
317.99677	1.1
319.00903	0.8
327.01392	1.2
343.00839	1.7
401.04733	1.2
444.61310	0.9
445.04477	1.4
447.05502	1.6
465.06943	5.8
539.79816	0.8
553.06378	1.4
564.01031	0.9
579.04010	1.1
597.04987	3.5
613.04523	1.4
615.06207	3.5
617.07794	24.5
618.08081	2.7
721.06885	1.3
747.04828	1.9
748.93286	1.3
749.06213	13.8
750.06610	1.3
765.06091	3.0
767.07428	13.6
768.07910	1.1
783.07117	1.3
891.09186	1.1
917.07031	5.9
935.07880	12.0
936.08276	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	931.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49489	0.8
70.92542	1.9
77.98794	0.7
85.68653	0.7
96.89543	0.8
96.95877	2.5
99.51331	0.8
110.35560	0.7
112.93604	1.6
123.00730	1.0
125.02294	1.3
139.03859	0.9
145.02783	0.9
161.02321	1.5
169.01312	1.8
189.01897	0.9
217.01355	1.0
225.75273	0.9
227.03410	1.0
243.03049	3.9
243.53970	0.7
245.00717	1.2
247.02516	0.9
254.02196	0.9
255.02939	10.2
270.98987	2.5
271.02475	19.9
272.03033	2.3
273.00302	2.5
298.98282	3.5
299.01981	5.0
300.02728	76.9
300.99850	4.0
301.03122	4.6
315.05093	76.8
316.05396	4.5
432.06604	1.6
447.09305	100.0
448.09537	7.3
483.02216	2.9
484.96857	1.0
870.96423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23058	1.1
69.23452	7.0
89.94842	0.6
93.43490	0.7
95.01260	2.5
98.20553	1.6
105.03395	0.8
117.03361	2.5
119.04947	1.0
123.00768	2.7
125.02352	3.3
129.03285	1.0
133.02866	4.4
135.04427	0.9
143.01265	0.9
145.02863	7.9
147.04405	2.1
149.02364	0.7
157.02885	2.3
160.01529	1.4
161.02350	5.9
163.00314	1.0
163.03891	2.8
166.99649	1.3
169.01312	2.8
169.02608	0.7
171.00786	1.8
173.02362	7.6
175.03914	2.4
176.01108	0.8
177.01900	1.8
179.03419	1.0
185.02304	3.0
187.00349	3.3
189.01852	7.8
190.02583	1.2
191.03409	3.0
199.00250	1.8
200.00911	0.8
201.01901	7.8
203.03374	1.8
205.01425	0.9
213.01846	0.9
214.99809	3.7
216.00478	1.9
217.01349	10.9
218.01535	1.0
219.03006	1.4
226.99878	2.1
228.00563	1.5
229.01389	10.4
230.01933	1.4
231.02985	2.6
242.99321	5.1
243.02896	0.9
244.00075	2.2
245.00903	17.6
246.01369	1.6
247.02377	4.2
249.03973	1.5
254.99258	1.6
257.00946	6.0
258.01712	1.4
259.02103	0.8
261.00351	3.5
263.02005	0.7
267.98059	0.7
269.01044	0.8
270.98822	12.5
271.99524	2.2
273.00412	28.2
274.00998	3.0
275.01953	10.1
283.99649	3.7
291.01514	2.2
298.98325	19.9
299.01828	0.9
299.99081	10.4
300.99887	100.0
302.00330	6.2
315.01370	1.2
316.99414	3.4
317.02820	0.8
343.00885	1.0
403.25494	0.6
435.05234	0.8
445.04037	2.0
461.03735	2.0
463.05447	2.0
569.05908	0.9
603.06415	2.1
613.04535	7.4
614.04272	1.1
700.24402	0.8
933.06628	5.8
934.06757	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	933.064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00192	0.6
71.14697	0.7
84.74213	0.3
89.03888	0.4
92.63503	0.4
95.01265	1.9
111.95747	0.4
117.03344	1.8
123.00802	2.2
125.02358	1.9
129.03368	0.6
129.33904	0.4
131.04860	0.5
132.01961	0.3
133.02849	1.5
134.21185	0.3
145.02878	4.5
147.00757	0.6
147.04410	1.1
149.02342	0.5
157.02856	1.4
159.00803	0.4
159.04372	0.7
161.02379	3.5
163.00253	0.5
163.03946	2.3
166.99782	1.6
167.95583	0.3
169.01323	2.3
169.02547	0.4
171.00826	1.1
172.01546	0.5
173.02342	4.9
174.02982	0.4
175.00243	0.4
175.03905	1.5
177.01805	1.2
185.02397	2.5
187.00328	1.7
187.03882	0.6
188.01125	0.5
189.01862	4.9
190.02597	1.0
191.03445	1.7
199.00314	0.8
199.04048	0.5
200.01044	1.0
201.01863	4.6
202.02464	0.5
203.03455	1.3
205.01355	0.5
213.01848	0.6
214.99794	2.8
216.00517	1.3
217.01357	7.0
218.01825	0.6
219.02908	0.8
221.04480	0.4
226.99782	1.1
228.00621	0.9
229.01375	6.4
229.04936	0.6
230.02048	0.6
231.02989	1.9
233.00761	0.5
242.99310	5.1
244.00012	1.2
245.00880	12.6
246.01439	0.7
247.02432	2.1
249.03966	1.4
254.99216	0.5
255.03003	0.5
257.00906	5.1
258.01529	1.3
261.00241	1.8
270.98837	12.7
271.99356	1.4
273.00406	20.1
274.00882	1.8
275.01965	9.4
276.02307	0.8
283.99652	3.2
285.00336	0.5
288.99774	0.4
290.00537	0.5
291.01352	0.7
298.98340	19.2
299.99020	9.3
300.99890	100.0
302.00211	6.1
312.99960	0.5
315.01489	0.5
316.99316	2.8
317.99811	0.5
319.00821	0.5
340.99326	0.6
343.00958	1.1
344.01657	0.4
349.92166	0.4
389.05045	0.4
405.04910	0.4
417.04459	0.8
433.04111	1.1
443.02390	1.0
445.04224	2.9
461.03726	4.0
463.05075	3.7
464.06097	0.4
534.03656	0.4
544.25024	0.4
569.05933	0.8
613.04993	1.1
668.07642	0.4
747.05786	0.6
763.03839	0.4
765.05945	1.1
897.04388	0.6
905.05731	0.4
915.05688	0.4
932.88507	0.6
933.06561	6.2
934.06824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14063	0.2
69.31741	2.2
76.98911	0.2
85.54520	0.2
94.56474	0.3
95.01263	0.3
98.20547	0.5
107.01257	0.4
118.97949	0.2
125.02367	0.3
145.02855	0.5
151.00293	0.7
153.01807	0.5
157.02867	0.4
160.01369	0.2
169.01347	0.3
171.00748	0.4
172.01566	0.8
173.02350	0.9
181.01392	0.4
185.02396	1.6
187.00230	0.4
199.00229	0.3
200.01109	0.8
201.01860	1.1
213.01817	0.3
214.99759	0.8
216.00589	1.0
217.01387	0.3
226.99702	0.6
228.00552	0.7
229.01350	2.1
242.99265	2.2
244.00089	0.8
245.00864	0.9
255.02904	0.3
257.00851	1.6
270.98834	9.9
271.99503	1.4
273.00360	0.7
282.98917	0.7
283.99622	3.9
285.00381	6.5
286.00812	0.3
298.98337	21.2
299.99084	16.7
300.02451	0.8
300.99878	100.0
302.00250	7.0
302.03741	0.4
407.00534	1.3
408.01025	0.2
447.09305	2.0
448.09665	0.3
450.99423	4.4
452.00439	0.4
483.02045	24.6
484.02347	2.9
552.85181	0.3
621.07770	0.2
785.31274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48994	0.8
70.89377	2.0
71.01255	16.6
72.99164	1.6
73.02815	2.2
77.72160	0.9
83.01242	1.3
85.02813	3.7
87.00753	2.9
89.02304	9.5
96.95837	0.9
97.02838	2.5
101.02324	11.4
113.02340	7.2
119.03387	3.2
123.00865	0.9
125.02356	5.1
137.07281	0.9
143.03391	2.8
149.04295	0.9
161.04419	3.2
165.12706	0.9
167.14297	1.2
179.05533	2.8
183.13820	7.4
193.12230	2.4
211.13330	100.0
212.13762	4.6
235.08151	5.5
277.21710	47.7
278.21915	2.6
287.07687	1.9
305.08902	1.5
317.41080	0.8
323.09683	1.5
379.12402	10.3
397.13474	34.8
398.13681	2.1
415.14645	7.3
591.26691	6.6
609.27594	7.0
941.47943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	1.8
71.01226	0.7
71.19800	1.8
75.18370	0.6
82.81317	0.5
83.52242	0.5
89.03859	1.1
91.68745	0.5
93.03374	0.6
95.01252	2.1
96.95894	0.6
98.19736	0.5
103.01748	1.2
105.03373	0.7
107.01256	1.7
108.80843	0.6
115.01813	0.7
117.03349	3.3
119.01249	1.2
119.04890	0.8
121.02800	0.8
123.00789	4.4
125.02363	3.1
129.03317	1.4
131.01257	3.4
132.02042	1.4
133.02837	4.2
137.02335	2.3
139.00305	0.6
143.01283	3.0
145.02859	8.9
147.00752	2.1
147.04411	2.1
151.00244	3.1
157.02852	2.1
159.00807	2.9
159.04373	0.7
160.01494	1.3
161.02361	8.3
163.00325	1.5
163.03914	4.3
166.99785	1.6
169.01376	4.2
171.00780	6.3
172.01503	1.2
173.02368	8.4
175.00233	1.3
175.03906	2.6
176.01074	0.8
177.01830	3.0
178.99767	2.5
179.03453	1.0
185.02380	2.7
187.00307	9.5
188.01025	1.4
189.01836	9.9
190.02466	1.0
190.99742	1.3
191.03375	3.4
192.00558	0.9
199.00294	5.5
199.04057	0.7
200.01015	2.2
201.01839	9.6
202.99840	1.7
203.03484	1.7
205.01414	1.1
211.03909	1.0
213.01813	0.9
214.99811	14.2
216.00537	3.2
217.01357	13.1
218.01857	0.9
218.99294	0.7
219.02806	1.3
226.99776	4.2
227.03487	0.6
228.00580	1.9
229.01349	8.7
230.02081	1.1
230.99425	1.1
231.02951	1.4
233.00818	1.5
242.99329	22.7
244.00026	2.8
245.00893	25.9
247.02435	4.6
249.04015	0.9
254.99324	2.6
257.00894	5.6
258.01544	1.1
258.98865	2.2
259.99713	1.6
261.00409	6.2
263.01874	0.8
270.98843	69.4
271.99246	3.9
273.00391	50.3
274.00937	3.2
275.02005	10.6
276.02359	0.7
279.03015	0.7
283.99680	1.5
285.00357	0.8
286.98361	4.7
288.99945	3.6
291.01379	2.0
298.98340	100.0
299.99005	15.3
300.99893	53.7
302.00275	2.3
302.97958	0.8
312.99792	1.0
314.97891	1.2
315.01770	0.9
316.99393	11.5
317.03043	4.8
317.99921	0.9
318.03247	2.9
319.03738	0.9
387.03806	0.7
405.04123	0.7
427.03137	0.9
431.02643	0.8
433.03882	1.3
443.02591	2.1
449.04395	0.7
461.03503	1.7
583.03180	0.9
595.03796	3.1
601.05072	0.9
678.04565	0.7
727.01923	0.9
745.03265	1.7
778.15625	1.0
895.03052	0.7
913.04132	2.1
931.05029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88201	2.3
72.54964	0.5
78.93089	0.4
93.03329	0.6
94.86162	0.5
98.20488	0.5
112.19454	0.4
117.03319	0.9
132.02075	0.5
133.02849	1.8
135.04448	0.8
142.24487	0.5
143.01273	0.5
145.02866	4.0
147.04391	2.9
149.02278	0.7
157.02856	1.2
161.02377	3.5
163.03900	2.4
169.01343	0.5
170.10156	0.5
171.00732	2.3
172.01469	0.5
173.02361	5.8
174.02898	0.6
175.03932	1.9
177.01752	0.6
185.02406	0.6
187.00278	1.0
189.01857	5.7
190.02527	2.0
191.03421	10.4
199.00256	2.1
200.01060	0.7
201.01849	3.1
202.02753	0.5
203.03455	1.6
204.00569	0.5
205.01334	0.7
214.99718	1.1
217.01352	20.4
218.01802	1.4
219.02919	4.6
226.99825	4.7
228.00420	0.5
229.01382	4.5
230.01907	0.6
242.99333	3.7
244.00095	0.9
245.00876	25.0
246.01585	4.2
247.02437	100.0
248.02769	5.0
254.99475	1.0
255.02690	0.5
257.00790	1.3
259.02332	0.7
261.00369	0.6
263.02084	0.6
270.98798	7.5
271.99509	1.1
273.00394	53.7
274.00803	3.2
275.01849	1.2
288.99988	2.3
291.01443	25.0
292.01633	1.2
298.98322	16.1
299.98880	3.3
300.99841	7.7
312.99982	1.3
316.99207	1.4
317.02914	0.5
333.02496	1.4
340.99286	0.6
393.04660	0.8
399.03174	0.6
417.04593	3.3
433.03973	0.8
435.05640	14.2
436.06229	0.7
453.06671	1.8
587.06628	0.7
599.99493	0.5
717.03375	0.9
719.05249	4.2
720.04932	0.8
727.07977	1.0
735.04706	21.9
736.05511	2.5
737.05774	2.3
738.07385	0.6
753.05621	5.3
754.05664	0.6
887.05884	2.9
888.05652	0.6
905.07178	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	921.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	15.0
71.08725	1.2
71.56289	2.6
73.02821	2.5
83.01234	2.4
85.02821	4.4
87.00756	5.1
89.02324	7.6
96.80679	1.4
96.95882	4.0
97.02831	11.2
97.06460	2.6
99.00752	20.2
101.02330	5.8
101.91618	1.4
113.02299	4.5
116.92743	3.1
125.02307	7.1
125.09612	5.5
126.93009	1.3
142.02565	3.1
148.74115	1.4
149.46446	1.5
163.11215	8.9
181.12241	14.7
188.69975	1.5
199.13257	2.2
207.10185	44.4
208.10481	2.2
219.04977	1.9
225.11276	69.2
226.11603	3.3
235.08104	2.7
243.12372	21.1
255.23257	59.4
255.25945	3.1
256.23584	3.5
364.41513	1.6
387.59848	1.6
397.13663	11.1
405.17325	2.2
415.14743	1.7
597.39838	1.4
605.24512	19.6
623.25507	6.6
624.25867	1.8
653.37714	2.3
861.48486	100.0
862.48694	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	923.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35885	1.1
78.46156	0.5
107.65955	0.6
117.03345	1.2
119.04916	1.1
123.40301	0.5
133.02873	1.1
135.04416	1.2
144.30971	0.6
145.02832	3.4
147.04381	2.4
149.02341	0.7
157.02890	0.8
159.04367	0.8
161.02339	2.6
163.03896	2.0
171.00858	1.5
173.02341	5.0
175.03902	1.4
177.01709	0.7
187.00339	0.8
189.01846	5.2
190.02617	2.1
191.03432	8.1
199.00269	2.1
201.01878	4.8
203.03412	1.3
205.01341	0.7
214.99844	1.7
216.00473	0.7
217.01357	18.2
218.01945	1.8
219.02908	4.1
226.99835	4.1
229.01352	3.3
231.03027	0.9
241.55571	0.6
242.99323	3.1
244.00275	0.7
245.00856	21.5
246.01520	3.4
247.02440	100.0
248.02823	5.0
254.99377	1.2
257.00879	0.8
261.00430	0.7
263.01907	0.8
270.98874	9.1
271.99503	1.7
273.00391	50.2
274.00671	3.3
275.02097	0.7
278.01120	0.7
289.00101	1.4
291.01465	20.0
292.01691	0.8
298.98318	14.5
299.98849	2.9
300.99866	9.3
315.01346	0.9
316.99554	1.0
333.02679	0.8
355.49341	0.7
417.04657	3.1
435.05661	13.8
436.06308	0.7
453.06750	1.0
717.03406	1.1
719.05267	3.3
720.05731	0.9
725.05670	0.9
735.04712	21.9
736.05273	1.8
737.06140	2.4
753.05542	5.6
771.05518	0.6
887.06201	4.4
905.06879	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	919.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90189	14.8
71.01260	19.5
78.95837	4.8
79.95612	14.7
87.00768	8.9
88.98680	8.6
89.02344	7.6
96.95892	55.5
99.00751	8.0
101.02337	7.4
104.85971	5.1
112.93626	49.1
115.00270	13.7
115.86305	5.6
117.33553	4.6
125.02319	5.7
134.91893	5.1
147.29082	5.7
175.02405	30.2
180.21309	5.4
181.12302	6.3
207.10211	23.8
209.11781	6.4
211.13356	11.6
225.11259	47.7
243.12401	12.9
255.23279	5.2
277.21765	49.5
278.22098	9.9
279.31110	5.1
397.13528	12.4
605.24396	14.8
623.25714	10.2
727.99323	6.1
842.39294	6.0
883.47034	100.0
884.47351	18.4
919.45337	87.7
920.45917	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	919.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	20.1
71.56942	10.3
79.95602	14.4
80.96382	9.9
87.00735	14.3
96.95893	87.0
97.02843	6.8
97.09379	5.6
97.56949	6.2
99.00764	11.0
112.93607	100.0
113.02297	6.7
114.92889	4.9
115.00237	13.2
125.02335	6.1
134.91803	19.7
167.31406	5.1
175.02377	23.1
181.12273	17.5
207.10207	33.8
225.11259	68.6
242.23734	5.1
243.12361	19.7
266.62573	5.5
277.21735	43.5
277.96814	6.8
300.99783	8.3
397.13632	13.1
605.24457	28.5
623.25470	32.2
676.99213	6.1
698.36273	6.3
837.36560	8.6
883.47113	97.6
884.47034	19.8
919.44946	98.3
920.45026	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	0.9
67.01766	0.5
69.03334	0.6
69.24904	1.7
69.25331	1.2
71.01250	0.4
72.99227	0.3
79.01736	0.4
83.01276	0.3
89.03825	0.6
93.03333	5.6
95.01260	4.6
95.04906	0.3
96.95901	0.3
97.02838	0.5
101.03821	0.8
105.03362	0.9
107.01252	1.3
111.00753	0.7
113.70004	0.3
117.03334	3.6
119.01226	0.4
119.04903	1.2
121.02840	0.7
123.00761	7.3
123.04461	0.4
124.01562	0.4
125.02335	14.1
126.02641	0.3
129.03334	0.6
131.01309	0.3
131.04942	0.5
132.02057	0.6
133.02869	3.0
135.04391	0.9
136.01556	0.4
137.02339	7.9
139.00246	0.8
140.01012	0.5
141.01816	0.3
143.01277	0.6
143.03265	0.3
145.02855	10.3
146.03539	0.3
147.00783	0.7
147.04434	2.9
148.01518	0.4
149.02315	0.9
149.85168	0.3
151.00291	0.6
157.02875	1.7
159.00749	0.6
159.04445	0.6
160.01479	0.5
161.02344	7.8
162.03073	0.4
163.00287	1.4
163.03902	4.0
164.01065	0.4
165.01782	0.5
166.99768	3.3
168.00525	0.9
169.01340	14.4
171.00780	1.4
173.02345	10.7
174.02982	0.8
175.00278	0.6
175.03894	2.6
176.01086	0.8
177.01872	2.3
178.02252	0.4
178.99754	0.4
179.03406	1.3
185.02377	1.7
187.00237	1.8
187.03917	0.7
188.00897	0.4
189.01855	11.9
190.02599	2.8
190.99832	0.5
191.03435	6.9
192.00566	0.4
192.03899	0.4
193.01256	0.6
199.00336	1.2
200.01102	0.8
201.01866	7.5
202.02412	0.4
203.03450	3.1
205.01338	1.0
207.02895	0.9
209.00743	0.4
211.04024	0.4
213.01863	1.0
214.02596	0.3
214.99818	2.4
215.03461	0.4
216.00616	2.3
217.01364	16.3
218.01985	1.2
219.02939	3.5
220.03444	0.4
221.04352	0.5
222.01668	0.6
225.05347	0.3
226.99818	1.3
227.03479	0.7
228.00528	1.7
229.01385	6.0
230.01976	0.7
230.99438	0.3
231.02840	1.5
233.00859	1.0
235.02452	0.9
239.03453	0.4
241.04967	0.3
242.99295	4.2
243.03043	0.7
244.00075	2.5
245.00883	40.7
246.01358	2.5
247.02457	20.0
247.05080	0.6
248.02771	1.1
254.99254	0.5
255.02988	0.7
257.00888	2.8
258.01688	0.6
259.99585	0.4
261.00388	4.7
262.00894	0.3
263.02023	1.0
265.05200	0.4
267.02951	0.9
269.01089	0.4
270.98843	13.2
271.99429	1.3
272.03387	0.3
273.00400	100.0
274.00800	6.3
275.01965	9.1
275.05020	0.3
276.02240	0.6
279.13593	0.3
281.04550	0.4
283.02509	0.5
283.99576	1.0
288.99924	1.5
290.00528	0.5
291.01437	4.3
291.04343	0.5
297.03922	0.4
298.98334	21.4
299.01443	0.8
299.99045	5.5
300.99890	42.8
302.00229	2.3
311.01953	0.4
311.05542	0.4
315.01508	0.7
316.99380	21.6
317.99731	1.0
319.00812	0.3
326.00513	0.5
327.01407	0.7
329.03101	0.6
339.05130	0.4
343.00876	0.9
363.04703	0.4
383.04300	0.3
433.07767	1.2
477.08408	0.4
495.09125	0.5
521.07562	0.6
537.07147	0.3
539.08539	1.1
547.05481	0.3
565.06232	0.9
581.05103	0.4
583.07257	0.9
585.08789	6.7
586.09033	0.5
666.45361	0.4
689.07959	0.6
691.09369	1.2
707.09534	0.6
715.06342	0.4
717.07117	3.4
718.07635	0.9
733.06940	1.3
735.08325	9.1
736.08899	1.3
875.09344	0.4
885.07904	2.0
886.08185	0.5
903.09180	4.5
904.09894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	3.3
67.83725	0.3
69.53556	1.6
83.01270	2.6
93.03335	0.8
95.01266	0.3
107.01269	7.7
109.02831	0.8
121.02835	6.4
123.00768	0.6
125.02327	1.9
145.02832	0.4
149.02364	1.2
149.25880	0.3
151.00267	27.2
152.00647	0.7
159.04477	0.3
163.00288	0.9
163.03909	0.5
164.01036	0.5
169.01355	4.4
173.02368	0.6
178.99776	11.3
180.00191	0.5
185.02357	1.3
187.00145	0.3
187.03929	0.3
189.01828	0.5
193.01404	0.8
201.01935	0.6
211.03891	0.3
227.03345	0.6
229.01357	1.7
229.04958	0.7
242.13312	0.3
243.02885	0.7
245.00790	0.8
245.04593	0.9
255.02939	0.7
257.00943	0.6
257.04501	0.5
270.98654	0.3
271.02502	1.0
272.02847	0.8
273.03958	1.6
283.99606	0.9
298.98212	0.5
299.01907	0.4
299.99045	1.2
300.02652	1.5
300.99890	29.8
301.03503	100.0
302.00204	1.9
302.03839	6.7
313.05630	6.1
363.43530	0.3
379.02548	0.3
463.08878	2.7
464.09125	2.2
465.09854	0.5
466.02866	0.4
470.40436	0.3
540.38843	0.4
615.09869	21.5
616.10083	3.1
684.96301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37788	0.9
71.56725	1.1
96.95924	1.4
104.34226	0.7
125.02349	1.9
132.79353	0.8
133.02847	1.3
144.53108	0.8
151.00305	1.9
163.00237	1.2
169.01337	1.6
178.99785	1.7
187.03665	0.8
189.59972	0.8
199.03946	0.8
203.03433	1.7
217.01395	0.9
231.02890	2.0
242.02197	1.2
243.02965	2.5
258.01730	1.1
259.02405	5.1
270.01718	2.2
271.02448	13.7
285.04047	17.8
286.01297	1.2
287.01959	11.2
288.02353	1.1
300.99744	1.3
315.01456	19.4
316.02197	42.5
317.02722	5.1
329.03174	1.2
330.03769	3.6
331.04584	34.4
332.04938	1.9
374.86530	0.8
419.06305	1.7
447.05554	7.0
447.09982	3.8
448.06042	7.0
449.06662	1.7
463.08801	100.0
464.09290	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	913.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73962	2.5
65.00191	2.8
65.04050	2.4
69.75613	14.9
70.99502	4.2
76.15850	2.8
79.85999	2.8
86.99026	3.3
95.01266	6.0
96.95884	3.8
98.98981	84.4
117.67244	2.7
121.38762	2.5
123.00763	17.2
125.02345	4.0
126.98489	60.6
145.02992	2.6
154.98001	22.1
161.02342	3.3
166.99733	7.1
169.01306	4.1
173.02374	3.0
182.97507	28.3
189.01768	4.9
190.02339	2.8
193.01430	2.7
198.96999	100.0
200.98550	32.1
203.03461	3.0
214.99869	3.0
217.01309	7.1
224.65964	2.8
229.01314	4.1
245.00838	9.4
247.02544	4.7
261.00214	4.7
270.98773	7.1
273.00333	17.1
275.02026	4.0
286.98322	2.9
298.98306	12.3
299.99109	5.3
300.99973	23.3
509.21280	2.8
615.06207	9.0
797.02826	3.8
813.02203	12.7
815.04700	10.6
913.00446	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	911.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00200	1.8
69.39968	4.7
83.16069	0.6
95.01264	0.8
102.07618	0.5
107.01267	2.1
109.02834	2.6
109.99998	5.0
111.00779	3.0
116.19598	0.6
121.02850	1.2
123.00738	1.9
124.01676	0.6
125.02309	1.8
136.44922	0.6
136.98700	1.4
137.99467	1.9
139.00264	8.1
142.81863	0.6
148.01646	1.0
149.02353	0.7
151.00273	9.0
163.00255	1.8
164.01021	1.3
165.98996	7.6
166.99742	4.2
169.01376	0.7
178.99789	7.5
187.03946	1.1
188.72620	0.6
193.98569	0.7
194.99269	1.4
198.03181	1.0
199.03958	0.9
201.01796	0.9
203.03516	0.9
203.72664	0.6
206.86237	0.6
208.00040	0.9
215.03305	0.8
226.02664	0.7
227.03482	3.4
228.03876	0.7
231.03021	0.9
242.02158	1.7
243.02936	6.0
244.03825	0.8
245.04478	1.6
255.02983	9.0
256.03317	1.1
259.02432	1.2
270.01736	3.2
271.02460	30.3
272.03009	2.2
283.02466	0.7
287.01978	10.5
288.02457	1.9
293.75726	0.8
299.01935	10.5
300.02710	26.7
301.03488	22.3
302.03607	1.0
315.01459	2.4
316.02219	44.9
317.02972	36.3
318.03342	2.3
362.83649	0.6
447.09296	43.3
448.09485	3.6
462.08096	1.4
463.08807	100.0
464.09045	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	905.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00209	0.5
69.27467	3.1
82.78876	0.3
98.20480	0.7
107.01268	1.2
115.00267	0.5
124.01546	1.3
125.02334	0.6
133.01314	1.0
137.02330	1.2
151.00241	3.8
152.00905	0.7
163.00267	0.8
164.01038	1.2
169.01343	1.1
178.99763	4.3
189.01880	0.6
203.03549	0.5
204.04185	0.5
214.02638	3.7
215.03227	0.7
217.01399	0.4
227.03499	0.4
242.02148	3.7
243.02902	1.9
245.00832	1.2
247.02437	2.7
259.02420	3.7
270.01633	4.3
271.02457	27.4
272.02789	1.2
272.76013	0.4
273.00394	2.0
287.01974	15.4
288.02524	1.7
291.01416	0.8
298.98514	0.5
300.99915	0.9
316.02216	68.7
317.02823	10.5
318.03302	0.4
382.99829	0.5
625.14063	100.0
626.14398	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	911.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78777	0.5
75.60440	0.1
78.97012	0.1
91.85012	0.1
105.50617	0.1
106.35416	0.1
107.01295	0.2
108.02063	0.1
117.03330	0.3
125.31103	0.1
129.03365	0.3
133.02847	0.2
145.02863	1.1
147.04402	0.2
151.00278	0.5
157.02914	0.6
163.00305	0.1
163.03880	0.4
171.00900	0.1
173.02347	1.4
178.99799	0.4
184.01508	0.1
185.02359	2.4
189.01852	0.3
191.03412	0.2
199.00294	0.2
200.01039	0.2
201.01874	2.1
202.02194	0.1
213.01826	0.2
216.00591	0.2
217.01289	0.5
226.02786	0.1
226.99802	0.5
227.03496	0.1
228.00458	0.2
229.01363	3.7
229.03625	0.2
230.01607	0.2
240.00613	0.1
243.03014	0.5
244.00063	0.2
245.00883	1.7
254.02177	0.2
254.99352	0.3
255.02948	1.3
256.03418	0.2
257.00861	1.9
271.02466	3.4
272.02960	0.3
273.00397	0.4
282.98871	0.1
283.99619	3.0
285.00110	0.2
299.02216	0.1
299.99118	2.7
300.02750	7.7
300.99878	100.0
302.00217	6.3
433.73264	0.1
609.14587	13.2
610.14972	1.6
935.15784	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	905.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	1.1
70.34795	0.5
71.56097	0.7
86.19581	0.5
95.01254	0.7
98.98963	1.4
111.00707	0.5
117.03335	1.7
119.01205	0.5
119.04942	1.1
123.00735	0.6
125.02389	0.5
133.02835	2.0
137.02277	0.8
139.00244	0.7
145.02831	5.1
147.04405	3.1
151.00307	0.9
157.02869	1.3
159.00703	0.5
159.04485	0.6
161.02362	4.1
163.00317	0.8
163.03941	3.7
169.01349	0.6
171.00819	3.3
173.02345	5.2
175.00285	0.6
175.03915	2.3
177.01822	1.0
178.99718	0.5
179.03383	0.6
182.97496	1.7
185.02335	0.9
187.00311	1.4
189.01854	8.4
190.02654	2.5
191.03407	10.8
199.00282	3.8
201.01862	5.2
203.03433	1.6
205.01321	0.5
214.99821	1.7
216.00456	0.9
217.01361	20.6
218.01959	1.8
219.02921	5.7
226.99849	4.7
229.01408	4.0
231.02910	0.7
234.93764	0.5
242.99248	3.6
244.00050	1.2
245.00876	25.4
246.01570	2.8
247.02437	100.0
248.02745	4.8
254.99294	1.3
257.00970	0.8
258.01593	0.5
259.02734	0.6
262.76251	0.5
270.98828	10.7
271.99432	1.8
273.00394	54.8
274.00735	3.4
275.01904	1.4
285.00620	0.7
287.01907	0.7
288.99921	1.2
290.00143	0.5
291.01453	30.6
292.01758	2.1
298.98303	19.9
299.99075	4.2
300.99924	8.6
305.44308	0.5
313.00034	1.2
316.99402	1.7
317.03036	1.7
327.05145	0.5
331.01056	0.8
333.02524	5.8
334.03183	0.5
340.99319	0.6
344.97018	1.1
393.04483	1.2
399.03430	1.0
417.04507	4.7
430.73013	0.6
433.04034	0.8
435.05649	20.6
436.05988	1.4
451.05521	0.5
453.06610	1.4
562.74634	0.6
571.04156	1.2
691.05890	1.1
717.03998	1.4
719.04974	5.0
720.04846	0.9
725.05743	0.6
735.04639	24.5
736.05267	3.1
737.06055	3.7
753.06018	4.5
858.99933	0.6
887.06360	1.4
905.06232	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	905.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19936	0.7
70.26025	3.6
97.02802	0.8
104.84970	0.8
107.01239	1.1
119.04916	0.9
121.02814	1.1
125.02330	6.8
133.02827	1.7
137.02336	1.1
145.02853	5.0
147.04379	2.8
151.00226	2.4
161.02347	4.2
163.03888	3.1
166.99677	1.2
169.01311	11.4
171.00768	2.9
173.02333	5.4
175.03925	2.2
179.03413	1.5
189.01865	6.1
190.02608	1.9
191.03436	9.6
199.00305	4.3
200.01100	1.3
201.01880	4.2
202.79625	0.9
203.03322	1.1
212.14503	0.9
214.99857	1.7
216.00717	1.5
217.01366	24.2
218.01981	2.2
219.02936	4.6
226.99780	4.4
227.03381	1.0
228.00504	0.9
229.01393	4.2
230.02051	1.1
242.99275	5.4
243.02887	1.4
243.12277	1.2
244.00032	1.8
245.00865	26.7
246.01550	4.2
247.02437	100.0
248.02718	5.8
254.99384	1.4
255.02931	2.9
257.00839	1.3
258.05130	0.8
270.98785	11.7
271.02448	6.6
271.05341	1.3
271.99539	1.7
273.00397	58.4
274.00742	4.2
275.01834	1.3
285.00253	1.1
288.99890	1.1
289.07181	4.0
291.01434	37.0
292.01883	1.9
298.98315	22.9
299.99045	4.8
300.02710	13.9
300.99826	15.3
301.03458	9.1
316.99368	1.8
333.02551	2.9
343.01004	0.8
347.00464	1.3
351.15302	0.9
399.03583	1.3
417.04706	5.5
435.00287	1.2
435.05716	20.5
436.05917	1.9
441.07996	6.3
453.06693	1.3
463.08853	21.5
505.05685	1.4
719.05060	6.9
735.04730	28.0
736.04608	3.4
737.06152	2.7
753.05841	5.1
754.05823	1.4
887.05493	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	905.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	0.4
71.33097	0.7
90.65897	0.3
105.03398	0.3
117.03351	1.5
119.04904	0.9
121.02861	0.5
123.00866	0.3
129.03374	0.4
131.01315	0.3
133.02855	1.2
135.04428	0.5
143.01299	0.5
145.02870	4.1
146.03557	0.3
147.04419	2.6
157.02846	0.9
159.00803	0.3
159.04410	0.7
161.02345	3.5
163.03886	2.6
164.04340	0.3
169.01318	0.4
171.00774	2.2
172.01648	0.3
173.02345	4.5
175.03934	2.0
177.01860	0.7
179.03455	0.6
185.02419	0.6
187.00298	1.1
188.00972	0.3
189.01854	5.3
190.02625	2.6
191.03409	7.8
191.05133	0.6
192.03815	0.5
199.00320	2.8
200.01039	0.9
201.01822	4.0
203.03395	1.1
205.01268	0.4
214.99847	1.3
216.00546	1.0
217.01360	18.6
218.01976	1.2
219.02914	3.8
226.99817	5.5
228.00385	0.6
229.01387	4.6
230.02164	0.4
231.02826	0.6
242.99335	3.1
243.02823	0.4
244.00000	1.1
245.00883	22.9
246.01584	3.3
247.02443	100.0
248.02800	4.5
254.99321	1.3
257.00861	1.4
261.00452	0.5
263.01978	0.3
270.98840	10.5
271.99356	1.4
273.00391	57.6
274.00760	3.6
275.01999	0.9
278.00592	0.4
285.00336	0.5
288.99826	1.2
291.01462	29.1
292.01816	1.7
298.98328	18.8
299.99020	4.4
300.96725	0.6
300.99924	7.5
312.99921	0.8
315.01569	0.5
316.99304	1.4
333.02609	1.8
343.00787	0.5
393.04562	1.1
399.03397	0.7
415.03085	0.4
417.04568	4.1
433.04260	0.9
435.05634	16.7
436.05978	1.5
453.06741	1.8
691.05499	0.6
717.03320	0.6
719.05316	3.7
720.05200	0.6
725.06152	0.6
735.04718	18.9
736.05139	3.3
737.06427	2.4
738.05682	0.4
753.05817	4.1
754.06079	0.7
887.05817	1.2
932.66150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36168	0.9
69.03321	3.0
71.01253	23.6
71.04898	1.6
71.56584	1.8
72.99196	1.8
73.02809	3.6
79.95605	11.3
80.96387	5.6
83.01254	3.1
83.04892	1.4
85.02822	5.3
87.00764	4.6
89.02316	13.1
95.01276	1.5
95.95095	4.2
96.95883	34.1
97.02827	8.0
97.06455	2.2
99.00754	12.2
101.02321	12.1
109.02734	1.1
109.06477	2.1
113.02334	7.3
116.92742	2.2
119.03383	3.2
125.02346	5.6
125.09595	5.9
127.11150	1.6
141.01656	1.7
143.03438	2.5
156.48297	1.1
161.04466	2.4
163.11197	10.0
169.01318	1.4
171.10185	10.5
176.98508	1.7
179.05528	2.1
181.12268	17.4
197.11800	2.4
199.13347	17.2
201.11203	5.6
207.10194	34.5
208.10501	1.4
210.10611	1.1
221.06618	4.5
225.11266	57.8
226.11624	3.2
233.23012	1.1
235.08200	3.1
243.12346	15.8
277.21704	35.8
278.22040	3.5
298.98309	1.7
300.99921	1.8
397.13586	12.0
415.14627	2.2
470.75784	1.2
528.83582	1.2
550.61188	1.2
605.24500	2.6
618.38226	1.2
623.25409	7.6
777.38940	1.2
883.47284	11.1
884.47015	2.3
901.47675	100.0
902.47784	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01225	2.0
71.20657	2.1
73.99783	0.8
75.00742	1.4
77.53905	0.8
79.95605	40.1
80.96401	6.5
87.00755	0.9
95.95107	18.4
96.53226	0.8
96.95885	100.0
97.02823	5.9
101.02328	1.2
111.07957	0.9
116.92809	0.8
125.02306	0.9
127.11188	0.8
171.10181	3.3
176.98561	2.7
191.03751	5.0
197.11806	1.3
207.10071	0.9
211.13356	2.4
216.93898	0.9
225.00780	1.2
225.11212	1.0
245.43402	1.0
262.88449	1.0
277.21735	6.7
278.21997	2.1
295.74490	0.9
397.13425	2.0
901.46289	64.2
902.46509	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	899.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27059	0.5
67.01779	0.8
69.03331	3.4
71.01250	72.2
71.56442	1.0
72.01555	0.8
72.99179	3.2
73.02819	19.8
74.06602	0.5
75.00739	0.9
81.03339	3.3
83.01258	9.9
83.04881	4.9
84.02066	0.9
85.02819	32.3
86.03149	0.7
87.00753	4.1
88.98695	1.3
89.02312	17.0
93.03353	1.2
95.01258	5.9
96.95898	2.7
97.02827	4.5
99.00757	6.6
101.02319	44.0
102.02634	0.9
107.64278	0.5
109.02847	0.8
111.00755	2.9
111.04416	4.1
113.02327	25.0
114.02635	0.9
119.03391	7.4
123.00754	1.1
125.02328	8.8
131.03362	2.0
135.32202	0.6
141.01837	1.2
143.03394	4.8
149.04474	0.7
159.02922	3.6
161.04459	17.6
166.99765	0.8
169.01302	2.7
179.05525	4.6
221.06627	2.8
245.06511	1.5
263.07666	2.6
270.98782	0.6
299.99127	0.7
300.99829	2.2
323.09818	9.1
324.09650	0.7
371.22421	0.7
393.18021	0.5
435.15018	0.7
515.29999	8.3
516.30200	1.1
547.29242	0.8
677.35315	25.4
678.35736	3.8
839.40637	100.0
840.40973	21.8
878.37512	0.6
899.35651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	13.3
71.56387	11.7
74.08324	7.9
85.90989	8.2
102.37259	8.2
116.92690	10.3
128.67264	8.1
135.96260	8.8
181.12173	8.7
207.10193	28.5
225.11269	52.1
243.12306	8.6
255.23195	37.9
261.24667	8.8
397.13184	10.4
520.57129	9.8
605.24390	20.7
861.48383	96.6
862.48907	20.7
897.46265	100.0
898.46021	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	899.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	0.7
69.03315	2.8
71.01250	66.6
71.50339	0.7
72.01595	0.6
72.98830	0.5
72.99170	3.0
73.02816	16.9
75.00755	0.7
81.03318	2.8
83.01256	8.2
83.04888	3.8
84.02063	0.8
84.61501	0.5
85.02821	28.5
86.03217	0.5
87.00745	4.1
89.02313	16.1
93.03319	6.1
95.01257	6.6
95.04913	1.4
96.95866	0.7
97.02840	3.8
99.00761	8.7
101.02317	42.3
102.02649	0.5
109.02822	0.8
111.00749	2.4
111.04399	3.1
113.02326	22.3
114.02609	0.5
119.03360	6.7
121.02829	5.5
121.06477	0.7
123.04406	1.0
125.02337	7.6
129.01817	0.5
131.03400	1.5
139.03915	0.5
141.01834	0.6
143.03391	3.9
145.04916	0.6
149.05937	2.7
149.58804	0.4
159.02878	2.8
161.04454	15.1
169.01315	0.9
171.25359	0.5
179.05536	3.5
203.05519	0.6
221.06619	2.3
233.06573	0.8
244.60271	0.5
245.06674	1.4
247.16859	0.7
249.18600	0.5
258.18860	0.5
263.07675	2.5
300.99960	0.7
323.09772	7.2
324.09372	0.5
367.32980	0.5
371.21982	0.6
497.29352	1.2
515.30115	10.8
516.30603	1.5
677.35388	19.2
678.35547	2.6
839.40625	100.0
840.40973	17.9
840.52942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83353	1.0
65.00198	1.8
67.00665	1.1
69.31953	10.0
69.32364	1.9
94.05425	1.3
107.01261	6.2
109.02834	2.4
124.01578	2.0
125.02305	3.7
128.32062	1.3
137.02312	9.8
151.00267	20.2
152.00938	2.4
164.01077	1.7
165.01788	1.5
169.01320	3.2
173.65062	1.2
178.99773	20.9
186.00388	1.3
201.01910	1.5
202.02545	1.1
210.00182	1.2
230.02129	4.1
255.02769	3.0
258.01627	4.7
271.02350	6.3
272.02817	1.7
272.61081	1.3
285.04019	6.6
286.01239	7.3
287.01920	5.5
300.02689	6.4
300.99918	2.5
301.03387	7.2
302.03677	2.7
315.01334	7.0
316.02155	9.7
317.03006	54.4
318.03339	3.5
419.06155	3.3
447.05142	33.0
448.05347	1.5
448.10034	3.6
449.07153	100.0
450.07382	6.0
459.11755	2.7
542.25726	1.3
608.65466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	10.0
73.02816	3.2
75.00735	5.1
79.95609	1.2
80.96642	0.9
83.01263	2.4
85.02813	5.9
93.03321	4.2
94.97985	0.9
95.01287	1.4
96.95895	2.4
99.00759	1.5
99.04414	1.6
101.02344	6.2
109.02823	2.1
113.02333	3.4
121.02846	8.6
122.03635	14.1
123.00761	1.0
123.04469	1.3
124.01527	1.0
125.02357	2.8
127.03865	2.2
132.02074	1.1
133.02856	3.9
134.03668	1.6
135.04431	3.0
136.01579	1.6
137.02522	1.1
143.03354	1.1
145.02835	1.5
147.04445	2.7
148.01601	1.5
149.02342	33.6
149.05939	1.9
150.03128	100.0
151.03584	2.7
161.04474	2.6
162.03085	1.4
163.03893	3.8
164.04724	8.0
165.05482	95.0
166.05907	1.8
169.01340	2.9
173.02463	1.0
175.03935	4.3
177.05594	1.7
179.07074	1.8
180.04189	9.9
188.04729	1.7
189.05540	2.9
190.06250	6.3
191.07045	5.6
193.05003	3.9
194.05731	4.4
195.06552	50.6
196.06866	2.4
205.08643	4.5
207.06564	2.8
208.07356	3.1
245.06622	1.6
263.07742	5.4
270.09024	1.3
270.99023	1.3
280.07190	0.9
285.11288	2.1
289.09186	1.3
297.07828	1.3
297.11435	1.4
299.12936	1.2
300.99899	2.7
307.10309	14.1
314.07718	1.5
327.12317	3.5
328.13144	3.6
329.10217	4.7
341.10333	6.0
341.13922	1.2
343.11765	1.1
343.15451	2.8
344.12616	8.8
345.13278	2.8
352.66769	0.9
356.12668	3.5
357.13300	2.6
359.14975	40.9
360.15363	4.2
371.14981	13.0
389.16226	4.7
461.16605	1.1
492.18338	1.7
503.17493	1.2
507.20120	6.1
516.64032	1.1
522.19049	1.8
537.21271	66.1
538.21625	7.2
567.22491	2.0
585.23364	97.8
586.23877	13.0
698.85852	1.0
893.34570	3.4
894.33459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04127	0.7
69.03339	1.1
69.27238	0.8
71.01246	18.3
72.99180	1.0
73.02827	2.8
78.05118	0.7
78.95758	2.0
79.95594	1.9
80.96400	2.1
81.03325	1.1
83.01252	2.5
83.09692	0.7
85.02824	4.5
87.00733	5.2
89.02316	12.5
95.01263	1.5
97.02820	2.9
101.02313	14.2
113.02331	7.8
119.03395	3.3
121.02789	1.0
123.00765	0.8
125.02325	7.5
125.09650	1.3
125.91080	0.8
127.11154	1.8
143.03397	2.3
153.09201	0.8
161.04417	5.0
168.79515	0.8
171.10172	100.0
172.10498	3.9
179.05504	3.8
199.06129	1.0
217.07132	1.8
221.06525	1.9
225.46764	0.9
235.08208	6.2
253.09306	1.6
259.08234	0.9
277.21704	66.9
278.21994	4.0
287.07678	2.0
295.22836	1.9
301.00021	0.9
305.08783	3.5
311.22412	1.0
313.59851	0.9
323.09827	1.7
379.12393	15.5
397.13477	44.1
398.13748	1.8
415.14542	7.2
551.23364	3.4
569.24384	2.7
657.35156	1.4
675.36115	3.0
676.36621	1.3
746.73370	0.9
814.52429	1.4
815.52789	2.4
889.48584	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.8
71.01248	15.9
71.36469	1.1
72.99181	1.7
73.02822	2.4
75.00747	0.8
78.95775	1.5
79.95609	2.3
80.96374	0.9
81.03346	1.0
83.01263	2.5
85.02824	3.8
85.31463	0.6
87.00729	3.4
89.02317	13.1
92.23499	0.8
95.01261	1.0
95.27545	0.7
97.02824	3.4
99.00758	1.0
101.02321	12.6
111.00890	0.8
113.02325	7.1
116.92757	1.5
119.03391	3.2
125.02326	7.7
127.11173	2.2
143.03392	1.7
152.99545	0.7
161.04434	3.9
171.10179	100.0
172.10533	4.1
179.05530	4.0
209.11775	0.9
217.07086	1.2
235.08199	6.3
259.08194	1.2
277.21722	59.5
278.22128	5.2
287.07782	2.0
291.23132	0.9
305.08780	2.0
323.09717	1.5
340.01166	0.7
379.12473	13.4
397.13495	40.2
398.13907	2.3
415.14563	7.0
551.23486	3.2
569.24341	3.3
657.34180	1.4
675.36194	1.9
815.53119	1.3
873.68420	0.8
889.48914	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	889.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42939	0.3
69.41254	3.2
69.47772	0.3
71.01255	8.8
72.99172	0.5
77.54748	0.4
85.02826	0.4
89.02337	1.5
101.02322	1.0
105.70401	0.4
106.89216	0.4
113.02322	0.6
115.00262	4.9
119.04916	28.7
120.05264	0.8
124.37196	0.3
131.01295	0.5
133.01328	7.5
133.02826	4.3
134.03639	1.0
149.02408	0.6
158.72380	0.3
161.02367	0.4
163.00272	1.2
163.03915	53.7
164.04231	1.5
165.01904	0.4
171.41388	0.3
173.02243	0.4
175.00310	2.0
175.03952	0.8
177.01901	0.4
201.01933	0.7
227.03372	0.6
237.05623	0.5
255.02968	0.4
265.05121	0.7
267.03003	0.4
269.04535	0.7
270.05246	0.8
279.05112	3.4
281.04526	0.5
282.05206	0.5
284.03336	2.3
285.04059	4.4
297.04034	9.0
298.04816	35.2
299.05423	4.7
309.04034	20.2
310.04474	1.4
311.05634	1.9
317.02911	0.5
324.02429	0.4
325.03537	1.5
326.04276	2.2
327.05066	12.3
328.05478	0.6
330.03867	2.8
337.03589	0.9
338.04251	0.8
339.05099	5.0
341.06720	0.6
351.05084	1.6
353.03067	1.6
355.04651	0.5
357.06195	4.3
358.06555	0.6
369.06125	1.7
381.06046	0.5
385.05582	0.7
411.07324	0.9
429.08194	5.6
430.08569	0.7
446.08429	0.4
489.10403	9.3
490.10477	0.5
609.14587	100.0
610.14850	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	889.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	1.6
65.00203	5.0
69.60390	5.5
70.55415	0.7
71.01221	0.9
78.45370	0.6
83.01268	2.0
85.97320	0.7
95.01267	1.1
98.98981	8.1
107.01282	7.4
109.02843	5.4
112.93629	1.4
123.00764	2.5
125.02324	4.1
125.95524	0.7
126.98500	5.9
137.02345	16.5
138.54851	0.8
141.27936	0.7
142.02946	0.8
150.99117	1.5
151.00281	24.8
152.00658	0.9
154.97972	2.5
159.04430	0.7
163.00235	2.6
165.01784	1.8
166.99742	1.4
168.00562	1.3
169.01324	6.9
178.99779	20.1
181.01305	0.8
182.97501	17.9
190.99773	3.1
192.00648	1.4
193.01349	2.3
194.97353	0.9
198.97009	2.0
199.97575	0.9
200.98479	1.3
203.03418	2.8
205.01338	1.2
211.02403	3.0
215.03459	1.6
227.03453	1.0
231.02995	2.1
243.02899	1.9
243.39948	0.7
259.02414	3.2
271.02509	4.5
272.98529	6.1
287.01984	7.0
293.26947	0.8
300.98010	8.5
315.01489	18.9
316.02194	3.2
317.03012	100.0
318.03311	5.9
328.97604	29.3
329.00507	0.7
329.98065	2.6
330.99026	3.4
421.42285	0.8
430.94351	0.8
477.12552	7.7
478.12497	0.8
489.06912	2.2
491.08701	8.4
571.04230	3.3
625.14105	1.6
738.73163	1.0
775.13098	2.6
807.10815	9.5
808.11090	1.1
809.12433	8.9
810.12280	1.0
889.08466	5.7
890.08020	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	889.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	14.5
70.34688	6.9
70.35081	6.4
78.05192	2.4
81.18107	2.6
83.01257	7.5
98.19901	3.0
107.01281	22.3
112.02470	3.1
117.39958	2.6
120.01827	2.8
123.00714	3.8
125.02350	16.0
133.63887	2.9
141.00024	5.8
149.02382	8.3
151.00267	73.9
163.00256	2.7
164.01010	6.4
166.98033	4.8
168.00539	4.9
168.99573	12.7
169.01318	20.2
178.97951	4.1
178.99686	6.9
193.01363	45.8
194.97510	11.7
195.98262	35.6
196.99048	19.6
199.03885	3.6
203.03406	6.7
211.02391	13.8
215.03360	5.8
217.01480	3.1
222.97000	11.5
231.03020	4.6
243.02983	7.9
244.99098	6.1
245.99533	3.3
259.02499	17.9
271.02386	11.3
272.98615	28.2
287.01993	37.7
290.99814	3.8
300.98032	39.7
315.01465	90.5
316.02209	81.1
317.02945	13.0
328.97589	100.0
329.98114	9.6
330.99182	39.8
349.00244	58.4
350.00400	4.3
477.12711	21.6
657.11078	4.6
807.11395	21.7
808.10809	4.6
809.12341	48.3
810.12628	3.3
889.07825	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	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	0.9
71.01249	15.2
71.27612	0.3
71.27923	0.4
72.06817	0.3
72.99176	1.1
73.02819	2.4
79.95587	0.7
80.02547	0.7
80.96365	0.6
81.03318	2.2
83.01281	1.7
83.04893	5.3
84.02032	0.7
85.02817	3.2
85.99971	0.3
87.00751	3.3
89.02315	12.1
91.03896	0.3
93.03294	0.3
95.01260	1.1
95.04913	1.1
96.95894	0.3
97.02827	3.0
99.00769	0.7
99.57846	0.3
101.02317	10.5
103.81066	0.3
109.06504	0.4
111.00756	0.4
111.04390	0.6
113.02334	6.0
116.89569	0.3
119.03391	3.5
125.02331	5.5
125.05965	0.6
125.09622	0.5
127.07531	0.3
131.03413	0.5
133.04991	0.6
135.08067	0.7
139.03894	0.5
141.01837	0.4
143.03384	1.9
147.11665	0.3
149.04469	0.3
161.04463	2.5
163.11206	3.7
165.12737	2.6
169.01344	0.5
179.05516	3.6
181.12276	0.5
191.10660	1.1
199.06140	0.3
199.13329	1.1
207.10211	0.6
207.92227	0.3
209.11761	100.0
210.12103	5.2
217.07172	0.7
221.06583	1.9
225.11301	0.8
227.12840	12.6
227.88098	0.3
228.13292	0.8
235.08168	4.4
251.12883	0.8
253.09186	0.8
263.07751	0.4
277.21716	44.7
278.22043	3.3
287.07718	1.8
293.21335	0.5
305.08887	1.8
323.09842	1.2
379.12384	4.5
380.12701	0.4
384.56268	0.3
397.13480	30.5
398.13791	2.0
413.17947	0.3
415.14542	7.4
416.15002	0.4
508.86957	0.3
589.25616	0.4
607.26074	1.6
811.50476	0.4
885.47583	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	885.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96109	33.6
64.96899	2.3
71.01261	5.3
71.20061	0.9
79.95605	100.0
80.96385	6.7
84.02916	0.6
85.02833	1.1
87.00766	1.0
89.02319	4.0
95.01249	0.8
96.95894	1.3
101.01752	0.6
101.02294	2.9
113.02358	1.4
119.03362	1.1
123.00689	0.7
125.02360	3.4
132.99525	1.1
143.03400	0.9
163.11223	0.7
166.99751	1.0
169.01361	1.6
179.05595	0.9
183.13808	5.4
195.13766	2.5
197.45123	0.6
199.13310	1.9
207.10245	0.6
209.11720	6.7
211.13388	1.0
223.13254	0.9
227.12834	9.1
228.13223	1.1
235.08160	2.3
253.09195	1.7
275.20044	1.3
277.21725	10.7
278.21954	0.7
291.19540	4.0
293.21204	16.0
294.21405	1.0
300.99930	1.1
376.72382	0.6
397.13364	7.2
415.14594	1.9
416.15073	0.8
607.26154	1.0
625.27448	1.3
701.51074	0.7
722.07587	0.7
759.40259	3.2
867.45374	2.4
868.45380	0.8
885.46771	77.4
886.47131	12.4
895.77808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87350	1.1
63.79729	0.9
63.96111	26.0
64.48739	0.9
71.01238	3.6
71.56730	1.5
79.95605	100.0
80.96412	6.1
89.02319	2.7
95.01262	1.5
96.95892	2.4
97.02837	1.3
101.02319	2.3
113.02312	2.0
125.02325	2.2
133.01947	1.0
161.04460	1.2
169.01392	1.9
179.05534	1.3
183.13805	1.8
185.11592	1.3
199.13376	4.7
207.10124	1.3
209.11699	3.8
223.13371	1.4
225.11253	1.6
227.12857	9.9
235.08168	1.6
253.09238	1.6
277.21722	9.7
278.22171	2.1
291.19711	2.1
293.21185	10.0
300.99802	1.5
379.12726	1.4
397.13361	5.0
702.44958	1.0
759.39752	1.6
885.46765	50.4
886.47290	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76321	0.2
69.03320	0.9
70.58974	0.7
71.01249	15.0
72.99162	1.1
73.02823	1.8
75.00766	0.4
79.95602	1.0
80.02552	1.2
80.96378	0.8
81.03334	1.9
83.01257	1.6
83.04885	4.8
84.02027	0.6
85.02815	3.6
87.00746	3.6
89.02312	10.7
93.03339	0.2
95.01285	1.1
95.04906	0.6
96.95864	0.2
97.02822	2.1
99.00752	1.0
99.04378	0.4
101.02316	9.9
108.38605	0.2
109.02841	0.4
111.00784	0.3
111.04409	0.6
112.04697	0.2
113.02327	5.8
115.03834	0.3
119.03395	3.2
124.01545	0.3
125.02331	5.1
125.05945	0.4
127.03825	0.2
131.03368	0.4
133.04961	0.3
135.08037	0.6
139.03894	0.4
141.01762	0.4
143.03391	2.2
147.11713	0.3
149.04445	0.3
153.12834	0.2
161.04471	2.5
163.11197	4.4
164.98639	0.2
165.12721	2.3
167.03355	0.4
169.01344	0.2
179.05518	3.4
181.12233	0.6
191.10739	1.2
199.06038	0.4
199.13307	0.6
209.11755	100.0
210.12079	4.5
217.07149	0.7
221.06622	1.4
227.12825	11.0
228.13243	0.7
235.08173	4.7
245.06590	0.4
251.12875	0.4
253.09229	0.8
259.08182	0.3
263.07666	0.3
277.21701	41.4
278.22018	2.6
287.07703	1.5
291.23282	0.3
300.99854	0.3
305.08780	1.5
323.09808	0.9
379.12442	5.5
380.12735	0.3
397.13464	31.5
398.13797	1.6
415.14548	7.6
416.14764	0.3
429.70773	0.2
480.56256	0.2
589.24780	0.5
596.37323	0.2
607.25854	1.1
641.11542	0.2
885.47461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14877	0.4
65.00191	1.0
67.01769	0.6
71.01266	0.6
78.94768	0.3
79.01756	0.4
89.03838	0.6
95.01267	3.4
96.95881	0.7
97.02814	0.8
101.05962	4.0
103.83463	0.3
107.01278	2.2
111.00792	0.6
117.03349	2.1
117.04047	0.4
119.01267	0.4
119.04903	1.4
120.76563	0.3
121.02812	0.7
123.00766	6.9
123.04528	0.3
124.01597	0.5
125.02338	11.6
129.03346	0.6
131.04930	0.4
133.02861	3.4
135.00705	0.3
135.04420	1.3
137.02321	0.8
139.00282	0.9
139.03754	0.3
140.01083	0.6
141.01839	0.4
145.02843	8.7
146.03188	0.6
147.00775	0.4
147.04410	2.0
148.01596	0.5
149.02342	1.0
151.00266	1.1
153.20737	0.3
157.02853	0.9
159.00813	0.4
159.04395	0.6
160.01569	0.7
161.02362	5.9
162.02948	0.3
163.00267	1.2
163.03935	3.5
165.01819	0.8
165.05458	0.4
166.99730	2.9
167.05013	0.3
168.00458	0.8
169.01341	13.4
170.01639	0.4
171.00761	0.7
173.02361	8.4
174.02809	0.8
175.00331	0.5
175.03886	1.9
177.01833	1.3
178.19890	0.4
179.03424	1.1
185.02287	0.8
187.00266	1.3
187.03838	0.6
188.01006	0.4
189.01854	10.8
189.03598	0.6
190.02629	2.6
190.99734	0.5
191.03430	6.2
192.03937	0.5
193.01320	0.7
199.00305	0.5
199.03902	0.4
200.01082	1.1
201.01852	5.9
203.03435	2.4
204.00653	0.4
205.01367	1.2
207.02766	0.5
209.00932	0.3
211.04018	0.5
213.01860	0.5
214.99861	1.9
216.00549	1.5
217.01367	14.0
218.01877	1.2
219.02937	3.5
221.00868	0.5
226.99841	1.1
227.03351	0.4
228.00568	1.4
229.01341	5.0
229.04973	0.4
230.01921	0.7
230.99474	0.4
231.02963	0.9
233.00912	0.4
235.02386	0.6
242.99359	3.6
243.99977	2.0
245.00885	37.5
246.01294	2.8
247.02434	17.8
248.02786	1.3
254.99164	0.4
255.02815	0.4
257.00928	2.4
258.01614	0.7
259.02582	0.4
261.00366	5.0
263.01907	0.7
269.04562	0.4
270.98849	11.5
271.99469	1.7
273.00394	100.0
274.00858	7.3
275.01959	7.7
276.02261	0.5
279.03104	0.4
283.02597	0.6
283.99561	0.6
287.01965	0.5
288.99829	0.7
291.01492	4.0
297.04004	0.4
298.98343	19.0
299.01453	0.6
299.99026	4.9
300.99893	33.3
302.00189	2.8
311.01978	0.5
315.01434	1.0
316.99377	21.6
317.99673	1.5
319.00699	0.5
327.01517	0.4
329.02975	0.5
343.00815	1.5
343.04581	0.4
373.18872	1.9
379.10437	0.7
397.11050	0.6
431.36456	0.4
436.37247	0.3
457.75754	0.4
459.12769	0.7
485.10693	0.5
501.10214	0.5
503.11404	1.7
511.08810	0.4
529.09888	1.1
545.09119	0.5
549.12421	5.3
550.13287	0.8
653.11438	1.1
655.12933	0.8
671.12195	0.4
681.10864	2.8
697.10266	1.6
699.12091	9.0
700.12183	1.5
849.11346	0.9
850.12201	0.6
867.12756	6.7
868.13147	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	883.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
70.08212	11.9
70.08624	7.7
71.01263	7.2
77.95134	3.1
78.95747	3.7
79.08577	4.0
79.95615	21.8
80.41754	3.9
80.96401	6.1
85.02827	10.9
87.97044	3.4
89.02319	8.4
96.95900	46.5
101.02325	10.0
113.02362	4.5
121.90813	3.7
126.90276	6.9
156.99036	4.7
168.87454	4.2
171.10149	25.9
207.10286	7.0
211.13351	10.4
225.11249	4.2
225.60176	3.5
229.14603	5.2
235.08197	8.8
253.09259	27.1
277.21713	76.8
277.24487	7.6
278.22089	8.3
309.20734	12.2
327.21738	76.9
519.86664	4.2
563.30127	7.8
675.40686	4.2
726.61627	3.9
883.44916	21.4
884.45386	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	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98679	2.0
69.03301	1.4
71.01258	19.0
71.04889	3.1
72.99172	2.5
73.02818	3.5
75.00729	1.4
80.96387	1.1
83.01253	2.2
83.04916	1.1
85.02820	6.2
87.00750	7.8
89.02331	14.2
95.01273	2.0
95.04877	1.3
96.95866	1.9
97.02836	12.8
97.06453	2.8
98.20609	1.7
99.00758	30.4
101.02300	12.2
107.65259	1.1
109.02750	1.4
109.06474	4.0
110.03617	2.0
111.04407	1.9
113.02322	7.0
115.00265	2.5
119.03418	2.4
121.06469	1.2
123.08015	2.7
125.02320	8.7
125.09621	9.8
133.04860	1.0
135.08063	2.1
136.05200	1.8
141.01627	2.0
142.02609	4.1
161.04518	1.5
161.09685	1.5
163.11221	11.2
164.11581	1.1
174.01515	1.4
175.02417	6.0
179.05573	2.8
181.12259	23.5
199.13342	1.9
207.10211	68.4
208.10565	3.2
211.13322	1.9
212.13629	1.6
225.11275	100.0
226.11565	3.7
235.08206	3.7
243.12355	33.5
244.12709	2.3
250.05334	1.1
253.09352	1.2
263.07703	2.0
277.21725	67.5
278.22095	6.0
299.17841	1.2
313.99866	1.2
379.12561	3.7
397.13467	12.6
415.14722	2.9
446.13672	1.1
605.24542	20.1
606.24750	1.9
623.25592	12.8
624.25891	1.3
883.46991	80.5
884.47247	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	879.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	13.0
71.56931	2.1
79.95576	2.3
89.02338	6.0
95.22267	2.1
101.02337	7.7
105.58484	2.5
113.02360	4.8
119.03392	3.3
125.09615	3.8
161.04463	2.9
163.11188	8.0
165.12688	2.5
171.10175	7.7
185.11743	4.5
191.14375	3.6
195.13837	9.1
201.11296	3.1
207.10170	4.4
209.11746	10.3
209.25792	2.6
223.13329	4.6
225.11302	7.5
237.11212	3.0
245.18973	10.2
253.09262	16.2
255.23224	8.0
271.17419	2.7
275.20123	6.3
277.21701	3.2
289.18079	56.5
290.18356	5.3
293.21222	100.0
294.21548	8.9
307.19110	54.0
308.19791	3.0
397.13373	5.7
457.02759	2.3
543.27942	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	883.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	3.0
69.03326	2.5
71.01255	17.9
71.04888	1.5
72.99190	1.9
73.02813	3.7
74.26983	0.9
75.00755	2.1
76.23952	0.7
81.03326	2.1
83.01248	2.6
83.04887	1.5
85.02825	5.0
87.00765	9.7
89.02315	9.7
95.01254	2.5
95.04888	1.1
96.95890	1.7
97.02823	13.3
97.06464	2.7
98.20532	2.5
99.00751	22.0
101.02321	11.2
109.06473	2.7
110.03638	1.3
113.02322	5.9
115.00253	2.2
119.03399	1.4
121.02865	1.0
123.04350	0.9
123.08064	1.2
125.02351	10.0
125.09618	8.8
126.90320	0.8
130.28368	0.7
135.08060	1.5
136.05191	1.3
137.05942	0.8
139.03865	0.9
141.01590	2.6
142.02609	3.9
143.03386	1.2
145.10051	1.0
145.27345	0.7
161.04474	2.0
161.09641	1.5
163.11191	11.8
170.88338	0.8
174.01628	0.9
175.02386	3.2
179.05470	1.7
179.10713	1.4
181.12273	22.7
182.12547	1.5
197.11732	0.8
199.13306	3.1
207.10201	70.5
208.10577	2.8
209.11786	0.9
211.13333	1.4
221.06674	1.1
225.11276	100.0
226.11671	4.0
229.29724	0.9
235.08206	3.9
243.12355	39.1
244.12657	1.7
253.09251	1.3
263.07703	3.1
277.21719	57.0
278.22061	3.4
287.07837	1.0
305.08786	0.9
317.16058	5.0
379.12534	2.2
386.67917	0.8
397.13544	9.8
415.14676	1.9
443.18713	1.0
461.20129	0.9
469.53842	0.8
605.24463	25.2
606.25006	3.7
623.15546	1.6
623.25568	27.6
624.25842	2.7
883.46973	68.9
884.47290	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	877.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	4.3
71.01255	16.0
71.04872	2.7
71.56216	2.1
73.02824	2.1
73.16256	1.3
83.01301	1.4
85.02824	4.9
89.02304	10.6
96.95876	1.5
97.02824	2.2
101.02341	11.1
113.02325	4.2
119.03368	2.8
119.13626	1.3
121.02853	1.5
123.08066	1.5
125.02279	3.0
125.09608	2.0
126.46432	1.4
151.11191	1.9
161.04533	1.6
161.09576	3.9
164.98468	1.5
179.10703	5.0
193.22827	1.4
197.11760	34.2
198.12050	2.0
209.11731	1.9
221.06610	1.6
255.20671	3.0
255.23273	50.6
255.25938	2.7
256.23672	3.8
397.13608	3.4
470.74203	1.8
626.96094	1.5
854.51196	1.7
877.47949	100.0
878.48523	24.5
888.78668	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	879.496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30627	16.5
71.01261	14.8
71.04914	1.7
72.37711	1.5
72.99177	2.1
73.02799	3.2
83.01273	2.0
85.02811	5.1
87.00739	2.8
89.02323	12.8
96.95889	2.4
97.02816	6.1
97.06473	2.4
99.00760	13.5
101.02314	11.2
113.02311	6.8
116.92708	2.4
119.03432	2.1
123.08047	1.8
125.02286	3.6
125.09626	4.8
129.58003	2.1
130.26115	1.6
138.60902	2.1
161.04507	2.4
163.11192	5.7
171.10191	8.9
176.58856	1.9
181.12263	12.3
197.11705	2.2
199.13388	9.9
201.11298	4.0
207.10196	28.6
221.06628	2.0
225.09218	3.6
225.11269	39.5
226.11624	3.0
242.08331	1.8
243.12386	9.6
255.23251	58.7
256.23434	2.2
264.95239	1.8
291.19760	2.6
293.21164	2.6
379.12509	3.1
397.13522	12.0
415.14264	2.8
456.68704	2.4
605.24036	3.0
861.48523	14.9
879.49579	100.0
880.50000	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	877.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66113	1.1
95.01233	1.8
96.95886	14.7
98.19758	2.9
98.95482	4.5
102.37521	1.0
105.03348	1.3
117.03333	2.7
119.04918	3.4
123.00758	2.2
125.02316	1.4
132.02072	2.5
133.02846	3.0
135.04405	4.1
145.02835	8.8
146.03697	1.3
147.00816	1.3
147.04408	5.8
148.01479	2.0
149.02319	2.8
151.00240	1.3
157.02847	1.1
159.04414	1.4
160.01578	2.6
161.02391	8.9
163.03899	11.8
169.01329	1.7
173.02367	9.7
174.03116	3.1
175.03946	5.7
176.00970	1.6
177.01836	2.6
177.05478	2.1
185.99458	2.1
187.00298	1.7
188.00995	1.9
189.01819	8.5
190.02606	4.4
191.03427	3.4
200.00894	1.3
201.01927	5.3
203.03435	6.7
204.00580	3.4
205.01318	7.8
206.01976	2.5
214.99767	2.8
216.00606	7.3
217.01334	13.0
218.02100	1.9
219.02881	6.6
221.04527	3.8
229.01326	3.4
229.98477	3.6
230.99371	1.5
232.00140	3.5
233.00887	6.6
234.01434	1.3
242.99342	2.7
244.00102	3.8
245.00871	19.8
246.01569	3.5
247.02434	83.6
248.02762	4.8
258.98788	9.2
259.02011	1.1
259.99429	2.3
261.00467	2.8
265.03580	1.5
270.99271	1.5
273.00391	27.3
274.01062	3.4
275.01941	4.4
276.02676	2.2
277.03445	13.9
288.99860	1.8
291.01450	100.0
292.01910	5.6
300.99829	4.4
302.00613	4.7
303.01489	10.2
316.99332	6.3
317.02975	2.9
319.00937	1.7
320.01743	3.8
321.02475	10.6
345.99707	7.3
347.00412	24.6
348.00586	2.4
364.00598	1.3
365.01511	12.3
491.04660	15.1
505.06210	68.5
506.06836	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	875.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32258	4.1
71.01263	6.2
73.02794	1.7
74.02332	1.7
79.95603	1.5
83.37498	1.3
85.02777	1.4
89.02312	2.2
96.95895	15.8
101.02312	3.3
112.93588	1.4
117.98653	1.2
123.00762	2.9
125.02317	7.4
147.04477	1.4
163.03815	1.5
169.01343	6.2
245.00923	1.5
273.00134	1.5
298.98407	1.6
300.99881	5.0
307.45245	1.4
361.15955	1.9
393.14349	1.9
396.39511	1.5
405.14371	1.6
738.06219	1.6
813.68262	1.5
839.40082	7.0
875.38336	100.0
876.38708	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	873.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02274	4.0
64.43933	0.4
65.00196	15.0
70.99472	1.9
71.55745	0.9
73.55618	0.5
80.97911	0.6
83.01256	6.8
86.98985	1.2
93.03334	3.0
95.01276	4.0
96.95882	1.3
96.97439	1.1
98.98985	24.0
99.99311	0.7
105.03368	0.6
107.01277	17.4
109.02830	3.4
111.00698	0.7
112.93616	3.8
117.03326	0.6
121.02846	13.2
123.00771	7.8
124.01557	0.5
125.02354	3.1
126.98492	19.0
133.02872	1.1
135.00867	0.7
137.02365	1.1
138.98489	0.8
139.00259	1.5
139.03893	1.0
143.04941	0.7
145.02853	1.9
147.00766	0.6
147.04420	0.8
149.02324	4.1
151.00278	54.2
152.00645	1.5
152.96446	0.9
153.97153	0.7
154.97987	8.8
155.04944	0.8
155.98714	1.1
156.99551	1.4
159.04411	1.2
160.01540	0.5
161.02316	0.9
163.00302	5.1
163.03949	1.2
164.01100	0.8
165.01855	1.5
166.99776	2.0
168.99837	0.9
169.01346	7.9
171.04439	1.0
173.02374	1.0
174.03061	0.6
175.03925	0.8
176.01114	0.6
177.01854	2.7
178.98181	1.4
178.99785	24.2
180.00107	1.0
180.99536	0.6
181.96721	0.7
182.97499	45.3
183.04428	1.2
183.97821	1.1
187.03940	1.5
189.01901	1.7
190.99809	5.1
191.03378	1.3
192.00536	0.6
192.99669	1.0
193.01419	2.4
196.99097	1.1
198.97003	7.4
199.03958	2.1
199.97769	1.2
200.98557	6.7
201.01894	1.6
203.03479	1.4
205.01357	1.3
206.02083	0.6
208.99072	0.8
209.00876	1.5
211.02368	1.0
213.01851	0.9
215.03462	1.0
216.00589	1.4
217.01463	1.3
223.00658	2.2
224.98514	1.6
227.03438	2.5
229.01518	1.0
229.04979	1.9
233.00937	0.9
242.02150	1.0
242.99451	0.6
243.02951	3.4
245.04501	2.2
247.02542	0.8
255.02943	4.6
257.04568	0.7
269.01019	0.9
271.02481	7.3
272.02997	0.8
273.00589	1.1
273.04004	2.8
277.03442	0.9
283.02536	0.6
284.98685	3.6
291.01459	0.9
297.00394	0.9
298.01077	1.1
298.98593	0.6
299.01953	19.0
300.02588	5.2
301.03522	100.0
302.03915	6.3
302.99487	3.5
305.02875	0.7
312.98132	6.7
321.02423	1.0
330.99231	5.5
333.00739	2.5
347.00461	4.5
349.02051	1.2
365.01508	1.4
457.10007	1.8
461.32828	0.6
464.09433	0.5
489.06995	6.6
490.07684	0.8
491.08728	29.3
492.09058	1.8
505.06372	1.9
507.08041	1.4
571.04449	6.8
759.14685	2.9
791.11316	21.5
792.11493	3.6
793.13171	10.3
794.13123	1.4
873.08551	9.5
874.09406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77404	1.3
63.02259	6.3
65.00198	14.4
71.01258	1.5
71.55866	1.8
79.06587	1.4
83.01271	8.8
105.54355	1.4
105.84209	1.2
107.01267	24.9
111.42848	1.3
117.03397	1.8
125.00545	3.9
125.02351	17.8
133.02843	1.3
139.03880	2.5
145.02866	2.3
150.98430	3.3
151.00272	88.0
151.99365	2.4
152.00604	1.8
153.00058	19.5
161.02347	2.2
163.03859	1.9
169.01338	13.4
177.01926	1.5
178.97986	11.6
178.99771	6.7
179.98787	43.0
180.99573	53.5
189.01831	3.7
191.03412	1.6
193.01285	7.4
203.01546	1.6
205.01263	2.8
206.97496	10.0
213.47388	1.6
216.00662	2.7
217.01289	5.4
219.02867	2.5
227.01585	1.8
227.03598	2.6
233.00917	2.1
245.00835	6.4
247.02599	6.7
255.02980	3.9
256.03601	1.9
259.99731	1.5
271.02536	9.6
272.03137	2.2
273.00473	9.8
277.03461	3.3
291.01450	10.2
298.98514	2.9
299.01926	16.2
300.02771	39.9
300.99844	3.0
301.03009	2.5
303.01437	2.8
314.99716	50.9
315.99872	3.8
316.99374	4.0
321.02625	4.5
333.00732	100.0
334.00955	5.9
347.00446	8.9
365.01416	3.5
491.04730	4.8
505.06229	7.5
529.87207	1.6
539.07031	2.4
641.11700	5.3
793.12964	42.9
794.13196	6.2
873.08716	8.7
874.09247	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	871.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24535	0.4
67.01755	0.9
69.91466	0.4
71.01254	0.6
77.79559	0.4
79.95608	0.7
85.78994	0.4
88.98714	0.4
93.03281	0.4
95.01287	0.5
96.95895	1.3
107.01269	0.5
109.02861	2.0
121.02854	0.8
123.00741	2.2
124.01567	0.5
125.02325	1.6
135.04433	0.5
136.01578	1.1
137.02339	19.8
138.02927	0.6
139.00311	0.7
139.03918	0.9
145.02853	1.1
146.23448	0.4
146.90610	0.5
147.00760	0.7
147.04422	0.7
148.01570	0.7
149.02315	1.7
150.03139	0.8
151.00264	3.7
151.03923	2.8
153.01884	0.5
161.02359	0.8
162.03091	1.2
163.03911	2.3
164.01128	1.6
164.04710	1.3
165.01840	100.0
166.02609	8.1
166.99791	0.6
169.01335	2.5
173.02362	1.0
174.03137	0.7
175.03906	2.5
176.04683	1.3
177.01880	1.1
177.05463	1.6
177.79700	0.4
178.06013	0.4
179.03421	19.4
179.07050	1.9
179.10838	0.4
180.04196	56.2
181.04971	28.2
182.05307	1.0
188.04684	0.8
189.05513	1.6
190.02589	0.7
190.06265	3.3
191.07028	2.5
192.04158	1.1
193.05026	1.6
194.05797	6.0
195.02917	3.0
195.06555	60.6
196.06898	1.9
203.07129	0.8
205.08623	3.3
206.05742	0.8
207.06511	3.1
208.07443	1.5
209.08112	4.5
210.05281	10.0
211.05995	0.8
223.05998	0.6
225.07631	42.9
226.08020	1.8
244.00046	0.5
245.00816	0.6
273.00528	0.6
300.99918	1.9
349.18454	0.5
373.12912	1.2
374.13373	0.8
375.14484	0.7
388.15283	0.8
389.16040	11.0
390.16696	0.5
403.14026	0.9
418.16296	0.7
419.16873	0.9
451.16290	0.6
480.75452	0.5
566.21912	0.5
567.22522	6.7
568.22534	0.5
596.22424	1.4
597.23407	9.5
598.23743	0.9
615.24829	2.8
645.25568	3.4
646.25665	0.5
769.78217	0.4
772.21014	0.5
775.29730	4.4
823.31958	1.7
871.33594	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	869.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83927	0.3
69.03316	1.6
71.01252	18.3
72.99185	2.0
73.02818	2.6
75.00768	0.4
79.95597	1.5
80.96398	1.5
81.03338	1.1
83.01259	1.8
83.04908	0.6
85.02824	5.0
87.00742	5.0
89.02316	15.2
91.03902	0.7
93.03364	0.4
95.01259	1.2
96.91155	0.3
96.95878	0.6
97.02828	3.6
99.00756	1.0
101.02317	14.0
109.02831	0.5
111.00806	0.6
111.04398	0.4
112.98445	0.4
113.02326	7.8
115.03927	0.5
119.03384	3.9
124.01538	0.4
125.02328	6.7
127.03933	0.3
131.03357	0.5
138.65126	0.4
139.03894	0.5
141.01718	0.7
143.03391	2.3
149.04430	0.4
161.04466	3.5
167.03352	1.0
167.14336	0.5
179.05533	4.2
183.13820	6.5
185.24030	0.4
191.13351	0.3
193.12312	1.8
199.06119	0.6
201.93842	0.3
203.05646	0.3
211.13329	100.0
212.13657	4.6
217.07185	0.9
221.06544	1.5
235.08186	6.2
245.06709	0.5
253.09216	1.2
259.08179	0.6
259.20630	0.4
263.07666	0.6
277.21707	58.9
278.22058	4.4
287.07724	2.0
291.23312	0.7
305.08704	2.2
313.61133	0.3
319.22687	0.5
323.09866	1.0
327.21771	0.6
365.59055	0.3
368.49951	0.3
379.12445	8.4
380.12750	0.6
397.13464	44.3
398.13794	2.6
415.14557	9.9
415.19077	0.2
416.15079	0.6
591.26636	2.2
609.27344	1.9
657.34741	0.4
675.36157	1.1
869.46869	2.2
870.47699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.5
67.63687	1.3
69.03310	1.9
70.20827	6.3
71.01255	17.0
72.99185	2.2
73.02821	2.6
78.12847	1.2
78.95773	3.2
80.96412	6.1
81.03321	1.6
83.01254	3.0
85.02798	3.2
87.00745	5.0
87.10666	1.3
89.02318	16.0
97.02830	2.6
101.02321	14.0
106.27527	1.4
113.02323	7.8
119.03343	3.8
125.02320	7.7
127.11150	2.5
133.04919	1.9
139.10382	1.2
143.03378	1.9
157.63919	1.2
161.04446	4.0
171.10179	100.0
172.10527	3.2
179.05522	3.9
204.48874	1.4
211.13408	1.6
217.07104	2.2
221.06534	2.1
235.08089	6.5
245.07127	1.3
253.09297	1.9
255.23264	76.0
256.23584	6.4
277.21664	2.2
287.07764	2.7
305.08698	1.9
307.11456	1.3
323.09500	1.6
379.12411	19.4
380.12704	1.9
397.13449	41.5
398.13568	1.9
415.14600	7.3
424.07187	1.6
468.04285	1.7
489.29623	1.8
551.23553	4.2
569.25055	2.1
635.36389	3.2
653.37323	4.9
745.88074	1.6
792.55096	2.1
793.54364	2.0
867.46606	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	868.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51760	0.2
61.98701	100.0
63.96117	0.5
79.95604	1.8
80.96379	0.3
88.63754	0.2
96.95911	0.6
98.19724	0.3
101.02358	0.2
103.63686	0.2
116.72218	0.2
158.64775	0.2
245.63849	0.2
277.21790	0.6
293.21234	0.7
294.21585	0.7
295.22006	0.3
296.21979	0.2
379.17050	0.2
586.17456	0.2
869.48425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.3
70.56536	0.2
71.01251	15.6
71.27615	0.5
72.01599	0.3
72.99167	1.6
73.02808	2.4
75.00724	0.4
78.95788	0.3
79.60202	0.2
79.95598	0.7
80.96397	0.4
81.03304	0.8
83.01266	1.7
83.04896	0.3
85.02822	3.6
87.00219	0.4
87.00751	4.7
88.02456	0.2
89.02314	14.6
92.65814	0.2
95.01292	1.3
96.95901	1.5
97.02831	2.3
99.00763	0.9
101.02319	11.9
104.62991	0.2
109.02886	0.2
111.00707	0.2
111.04335	0.3
112.98393	0.3
113.02330	6.8
114.02676	0.3
115.03902	0.2
119.03387	3.8
121.02792	0.3
125.02328	6.0
131.03337	0.4
133.04961	0.4
139.03859	0.5
141.01804	0.6
143.03384	2.6
149.04424	0.5
152.99507	0.2
155.10596	0.2
161.04471	3.1
165.12796	0.4
165.87975	0.2
167.03366	0.4
167.10716	0.3
167.14322	0.4
170.57225	0.2
171.10214	0.3
179.05534	4.9
183.13821	7.2
193.12285	1.9
199.05992	0.4
211.13330	100.0
212.13669	5.1
217.07077	0.8
221.06592	1.9
235.08159	5.2
236.08507	0.3
236.21936	0.2
240.69643	0.3
242.46231	0.2
245.06596	0.4
253.09248	1.0
253.14528	0.4
259.08231	0.6
259.20737	0.2
263.07803	0.3
275.19904	0.3
277.21707	46.4
278.22049	3.9
287.07700	1.7
305.08710	1.8
313.45428	0.2
323.09839	1.1
327.21674	0.7
379.07468	0.4
379.12424	7.3
380.12726	0.5
397.13489	35.2
398.13934	2.2
415.14536	8.7
415.19098	0.3
416.14954	0.5
429.21155	0.4
591.26398	3.5
592.27039	0.3
609.27533	3.9
610.27667	0.5
657.34937	0.3
675.35962	0.7
869.47803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81987	0.3
65.14320	0.3
65.21483	0.3
69.03312	1.0
70.43231	1.1
71.01253	14.6
72.58403	0.3
72.99185	1.3
73.02817	2.0
75.00753	0.6
78.95763	0.5
80.02552	1.1
81.03345	1.9
83.01259	2.4
83.04893	5.1
84.02040	0.8
85.02817	3.7
87.00748	4.3
89.02315	14.2
95.01275	1.0
95.04906	0.8
97.02827	3.2
99.00759	0.8
101.02324	12.4
101.02992	0.7
111.00771	0.4
111.04370	0.6
113.02335	7.1
115.03899	0.4
119.03383	4.0
125.02326	5.9
125.05939	0.4
131.03409	0.6
135.07999	0.6
139.03934	0.5
141.01791	0.5
143.03412	2.7
145.04980	0.4
161.04468	3.4
163.11198	3.7
165.12746	1.9
167.03372	0.4
179.05536	3.1
181.12283	0.5
191.10739	0.8
199.05968	0.4
209.11765	100.0
210.12100	4.2
217.07086	0.8
221.06610	2.0
227.12846	12.6
228.13130	0.5
235.08218	4.9
251.12817	0.5
253.09248	1.1
255.23265	53.5
256.23636	3.3
259.08234	0.4
263.07742	0.4
269.25000	0.4
277.21817	0.5
287.07779	1.3
297.24332	0.4
305.08795	1.6
323.09921	1.0
329.36594	0.4
379.12418	7.8
380.12766	0.7
397.13480	40.7
398.13699	2.3
415.14526	8.2
589.25031	0.7
607.26068	1.2
635.36450	0.5
653.37689	1.2
783.40240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	1.0
69.68491	4.0
79.95603	27.4
80.62148	0.6
80.96390	5.2
81.05458	0.7
95.01276	0.9
95.95113	12.9
96.95887	100.0
97.02828	5.0
107.01271	1.5
112.93613	0.7
123.00776	2.9
125.02328	5.8
141.01901	0.7
152.71220	0.7
166.99760	2.8
169.01324	7.6
176.98521	2.0
189.01913	0.6
191.03716	4.2
209.11742	2.6
211.13379	0.8
217.01408	0.9
247.02420	1.2
273.00403	1.5
275.01877	1.3
298.98288	1.7
299.98868	0.9
300.99835	7.3
312.97009	0.8
389.16150	0.9
452.02957	2.2
466.02921	1.2
473.65369	0.7
763.88434	0.7
867.40454	44.4
868.41138	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	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25721	0.4
69.03313	1.3
71.01254	16.2
71.56168	0.6
71.56552	0.6
72.99184	1.7
73.02816	2.6
78.19589	0.4
79.95651	0.5
80.02529	0.8
81.03331	2.0
82.37899	0.4
83.01254	2.4
83.04893	4.9
84.02017	0.7
85.02811	3.7
87.00755	3.4
89.02312	15.5
91.03884	0.5
93.03405	0.5
95.01283	1.0
97.02832	2.8
99.00726	0.9
101.02318	12.3
113.02325	7.2
116.92725	0.6
119.03383	4.1
120.03761	0.5
121.02783	0.5
123.04413	0.5
125.02321	5.9
125.06000	0.5
131.03313	0.6
135.08020	0.7
139.54079	0.4
141.01625	0.7
143.03395	2.4
149.04482	0.5
161.04428	3.4
162.44330	0.5
163.11223	3.2
165.12778	2.4
179.05547	3.9
182.21992	0.5
191.10680	0.9
209.11763	100.0
210.12117	5.0
217.07085	0.9
221.06586	0.7
227.12837	11.1
235.08182	5.2
251.12964	0.5
253.09172	0.7
255.23264	55.4
256.23621	4.5
259.08267	0.6
263.07672	0.5
269.24692	0.7
287.07742	1.6
305.08749	1.6
323.09665	1.1
379.12534	8.0
397.13489	40.0
398.13937	2.4
415.14523	9.2
607.26227	0.8
653.36987	0.6
775.09253	0.5
825.40466	0.6
896.37341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74216	5.6
62.97274	7.1
67.78512	5.7
71.01237	8.4
73.07558	5.2
73.13470	5.9
73.23705	5.3
74.98927	5.9
76.69014	4.9
79.95615	8.2
80.96390	6.8
89.02303	8.1
96.26465	5.3
102.74110	6.1
103.00215	11.5
110.89192	5.3
113.02390	7.0
116.92743	31.3
133.05003	13.7
138.95195	18.7
171.10187	9.0
188.91132	6.1
209.11765	5.7
211.13315	13.0
229.14323	6.0
235.08150	15.3
240.63524	6.2
253.09224	41.7
277.21710	88.3
305.97107	5.9
309.20657	19.9
327.21716	100.0
328.22122	6.7
366.61414	6.0
426.97504	5.8
497.29080	5.7
545.29675	16.1
563.30536	23.9
859.49939	30.3
881.94153	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	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03302	0.8
71.01252	16.7
71.20113	1.5
72.99171	1.8
73.02803	2.0
78.95779	0.9
81.03334	1.9
83.01263	1.9
83.04893	4.9
84.02055	0.9
85.02811	3.4
87.00736	3.4
89.02309	14.6
92.49106	0.6
95.01256	1.2
95.04884	1.0
96.95911	0.9
97.02799	3.5
99.00730	1.4
101.02309	10.9
110.03463	0.7
110.86332	0.7
111.04353	0.7
113.02325	7.5
119.03387	2.8
125.02319	6.0
131.03360	0.8
135.07985	0.7
136.46469	0.6
141.01588	46.6
142.01915	1.0
143.03386	1.9
161.04453	3.4
163.11192	3.7
165.12743	2.4
179.05550	3.5
183.59666	0.8
209.11760	100.0
210.12135	5.2
217.07211	1.1
221.06633	0.9
225.11230	0.8
227.12830	13.2
235.08112	4.9
247.09497	1.7
253.09259	1.2
255.23245	53.2
256.23605	3.1
269.24991	1.5
277.21677	1.0
287.07718	2.2
305.08673	1.6
323.09659	1.5
379.12289	9.0
397.13474	39.4
398.14050	3.2
415.14539	9.1
483.17236	1.3
564.54541	0.9
568.12579	0.7
653.37280	1.8
709.91400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	2.2
70.57095	1.3
71.55650	2.7
74.35726	1.3
75.63914	1.6
81.57051	1.6
87.60450	1.6
95.01294	2.3
117.03335	4.5
119.04919	2.8
121.02850	2.5
123.00756	2.0
125.02321	2.6
131.01248	1.8
131.05006	1.6
132.02051	1.9
133.02820	4.8
135.04422	5.8
145.02872	17.7
147.00891	2.1
147.04407	5.9
148.01559	3.0
149.02342	4.2
151.00328	4.8
157.02893	2.3
159.00826	2.5
159.04346	2.2
160.01567	3.2
161.02336	11.6
162.03099	2.2
163.00385	2.0
163.03928	16.0
169.01370	2.6
171.00809	1.6
172.01677	2.0
173.02341	12.6
174.03104	4.2
175.00273	1.7
175.03932	5.6
176.01138	2.3
177.01839	5.2
178.99814	2.6
179.03336	1.5
185.02315	1.7
186.03166	1.4
187.00278	4.0
187.04044	1.9
188.00975	1.7
189.01863	19.7
190.02618	5.4
191.03357	7.2
193.01399	1.6
201.01904	6.5
202.99879	2.8
203.03438	4.7
204.00577	7.5
205.01357	13.4
206.02078	3.6
206.99329	1.7
214.99797	3.6
216.00584	9.0
217.01360	22.4
218.02042	2.9
219.02924	6.2
221.04356	2.2
228.00598	2.2
229.01419	5.0
229.98534	4.5
230.01994	1.7
231.02936	2.1
232.00055	4.5
233.00797	11.9
239.03432	1.6
242.99345	5.1
244.00031	2.8
245.00867	46.3
246.01540	7.1
247.02448	76.2
248.02850	5.2
249.03778	1.4
258.98871	7.8
259.99594	3.3
261.00388	5.6
263.02014	3.4
270.98782	3.1
273.00421	53.6
274.00659	2.5
275.02002	5.3
277.03519	18.0
291.01471	100.0
292.01962	5.7
298.98380	4.3
301.00000	4.8
302.00647	6.4
303.01450	14.8
316.99384	16.4
317.03067	4.5
317.99518	2.5
319.00793	4.7
320.01617	4.5
321.02527	22.3
345.99524	7.0
347.00458	29.2
348.00626	2.0
365.01459	26.6
473.03589	2.1
491.04697	24.3
492.04907	3.2
505.06308	62.1
506.06281	8.4
520.66724	1.8
607.07037	1.7
865.15564	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	857.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99051	7.1
70.79887	11.3
71.14005	2.9
74.98969	5.6
76.98546	7.6
79.95597	18.3
80.96394	7.2
81.95184	10.2
82.95963	4.5
96.95887	35.6
98.95466	6.3
99.92451	8.7
101.02294	4.1
112.93637	4.2
114.93195	5.6
116.91997	7.4
116.92752	100.0
116.97140	5.4
117.92776	7.4
138.95178	19.7
140.94768	42.9
142.94342	9.6
166.19516	3.7
177.63568	3.4
197.11827	4.7
224.67532	4.7
253.09297	9.1
277.21695	11.3
293.21176	20.6
309.20923	19.1
309.23972	3.9
322.09390	4.0
344.18674	4.3
554.54370	3.7
857.48578	7.6
858.48108	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	857.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47657	7.2
60.99043	17.6
71.01249	29.1
71.48322	14.1
74.98975	23.9
76.98548	18.4
79.95614	56.1
80.96395	21.3
81.95176	32.4
87.82828	7.5
89.02303	15.2
96.95890	52.8
98.95466	14.3
101.02317	13.0
112.93622	11.1
113.02352	16.3
114.93200	15.3
116.92757	100.0
119.74679	8.1
138.95187	70.2
140.94753	83.2
142.94341	22.2
199.13313	95.4
253.09364	10.9
277.21640	44.2
293.21292	25.0
309.20718	30.6
397.13376	26.8
415.14590	14.5
457.18777	9.1
662.76941	10.2
666.78815	9.0
806.65753	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	857.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	2.1
71.56418	1.8
73.02814	2.0
78.65967	1.4
79.95611	2.7
85.50419	1.5
94.92395	2.2
96.95891	14.8
99.92480	12.4
113.02279	1.4
115.25700	1.5
115.83978	1.6
116.92749	100.0
116.97175	2.7
117.01839	3.0
117.92751	5.3
123.67786	2.0
138.95271	2.3
140.94810	4.5
197.11801	9.3
198.12065	3.0
253.09288	5.2
255.42281	1.6
264.57019	1.8
277.21814	3.2
278.22263	1.6
293.21069	8.2
309.20688	6.0
354.78116	1.8
397.13739	2.0
636.39392	1.8
758.43317	2.0
857.48535	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	857.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59920	1.1
69.03316	2.9
70.04156	3.6
70.04566	2.0
71.01252	66.6
72.99174	4.3
73.02814	15.5
78.93822	1.1
79.95607	1.7
81.03318	2.4
83.01254	7.6
83.04887	4.2
84.01997	1.7
84.57034	1.4
85.02823	38.4
87.00732	4.2
89.02312	18.3
89.02851	2.3
95.01262	6.5
96.95878	4.0
97.02832	5.7
99.00748	7.4
101.02319	36.5
109.02888	1.2
111.00774	3.0
111.04385	4.5
113.02325	18.1
116.92717	2.2
119.03374	4.6
121.39277	1.3
123.00735	3.0
125.02317	15.3
127.19846	1.3
131.03380	2.0
137.06024	1.4
139.00244	1.8
141.01781	2.6
143.03406	3.3
159.02940	1.3
161.04466	9.9
166.99706	2.9
169.01335	8.6
179.05505	3.0
189.01900	1.5
216.00438	1.7
221.06552	3.0
245.06509	2.6
263.07620	2.1
270.98770	1.5
299.99091	1.7
300.99826	5.9
323.09824	5.3
365.01605	1.2
509.04456	1.2
533.30847	7.7
695.36383	21.6
696.36932	3.9
705.23694	3.8
857.41687	100.0
858.42175	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	857.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13794	1.5
66.81171	1.6
67.01760	1.4
70.70861	4.1
71.01257	2.8
79.25394	1.5
79.95606	5.4
80.96381	1.3
83.01243	1.5
94.87828	1.5
95.01254	7.1
96.95885	16.7
97.02806	2.5
102.65782	1.3
103.71756	1.5
107.01271	4.1
107.04905	1.3
109.02754	1.3
109.99953	1.4
111.00784	8.6
121.02835	1.9
121.58672	1.6
123.00764	21.4
123.04390	2.8
124.01534	5.0
125.02338	81.6
125.79013	1.4
126.02679	2.2
127.00230	2.9
133.02701	1.4
136.98677	4.2
137.02321	4.0
139.00262	10.6
139.03896	3.4
140.01028	10.6
141.01762	2.0
149.02345	1.8
150.03102	4.4
151.00261	5.1
151.03896	4.4
153.01743	1.7
161.02362	2.5
162.17186	1.6
163.03938	2.4
165.01689	1.8
165.05431	5.7
166.99826	7.5
168.00554	16.4
169.01332	100.0
170.01711	3.8
176.04712	1.6
177.05533	2.5
179.03328	2.5
180.04181	1.9
181.01344	2.4
181.04997	14.1
183.02892	11.8
195.02892	3.8
195.06570	3.3
196.07304	13.3
197.04546	2.6
200.07057	1.5
209.08183	2.5
211.09688	5.6
216.00467	1.7
223.99043	1.4
298.98169	1.8
300.99896	6.6
317.06631	1.8
347.00601	2.0
347.07516	8.9
348.08475	9.4
362.10123	11.6
363.10809	20.4
493.13699	2.9
559.18170	4.2
637.58502	1.7
657.38159	2.0
705.23987	30.4
706.24298	4.0
711.19104	4.2
724.94763	1.5
822.97235	1.6
857.24969	81.3
858.25305	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	853.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96110	0.4
70.80037	0.9
71.01233	1.0
73.02816	0.4
73.23830	0.3
74.98964	20.8
79.95601	36.4
80.96385	15.5
85.02792	0.4
86.98969	0.5
87.99762	1.0
89.02322	0.6
96.95874	4.2
97.06469	0.6
99.00726	0.3
101.02324	1.3
109.06459	0.4
111.92798	0.9
112.93604	14.6
113.02323	0.6
114.02632	0.2
119.91077	0.3
124.95468	0.5
128.93106	1.4
138.95183	100.0
139.95482	0.6
141.01849	0.3
151.11133	0.3
159.02896	0.4
161.09593	0.8
161.15042	0.3
163.11234	0.4
171.10104	0.4
179.10648	0.3
181.12201	0.4
184.95844	0.2
188.87582	0.3
197.11798	1.6
199.13327	1.1
207.10231	0.8
211.07936	0.4
223.09686	0.3
225.11293	0.8
229.08995	3.2
230.09601	0.3
231.10568	1.3
235.08150	0.3
253.09302	0.7
277.21695	7.4
278.21997	0.3
291.48718	0.3
293.21335	0.5
329.22476	0.3
341.23291	0.5
447.16797	0.5
454.99719	0.3
465.17838	0.9
498.99176	0.3
543.31787	0.4
565.35303	0.4
725.39374	3.6
725.51605	0.4
726.39362	0.6
735.37836	0.3
753.38782	5.1
754.39496	0.9
758.64111	0.3
807.36163	2.0
808.37628	0.4
853.37097	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	843.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.7
67.01744	0.6
69.03333	2.6
69.38744	3.2
69.39171	2.5
70.41113	0.6
71.01253	1.5
73.02833	0.9
79.01804	0.6
81.03316	0.8
93.20297	0.6
95.01257	2.2
96.95893	5.1
97.02846	3.0
98.95422	0.7
107.01266	5.7
107.04986	0.6
111.00799	1.2
113.02409	0.8
123.00771	5.1
124.01527	1.7
125.02336	88.3
126.02668	3.1
137.02342	1.0
139.00247	1.9
140.01024	1.6
143.08759	0.6
149.81039	0.6
150.03061	0.9
151.00252	0.7
161.02347	1.0
163.11293	0.6
165.01814	1.3
165.05392	1.3
166.99809	1.6
168.00577	2.5
169.01335	100.0
170.01662	3.7
177.05513	0.7
181.04916	0.9
181.12285	4.9
189.44344	0.6
193.01317	2.9
195.06500	1.1
205.01422	1.1
207.03001	1.2
211.02382	2.6
217.01428	0.8
219.06410	0.6
225.11298	10.0
235.02440	2.0
275.01883	0.8
298.98303	0.7
299.99030	1.1
300.99863	3.9
302.00250	0.6
312.94467	0.6
321.02444	1.1
384.23721	0.8
503.15860	0.8
521.16797	1.0
539.17493	1.0
632.06592	0.8
649.10352	0.7
673.17609	1.3
691.18903	8.9
692.19275	0.8
825.18634	1.4
843.19855	31.0
844.20392	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	845.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00397	0.7
70.01518	0.6
94.46994	0.6
117.03334	1.2
123.00773	0.9
125.02390	1.0
131.04976	0.8
133.02844	2.2
145.02847	4.5
147.04398	1.5
157.02829	1.6
159.04453	0.7
161.02322	2.2
163.00343	1.1
163.03920	2.1
164.02208	0.6
171.00737	2.1
172.01588	0.7
173.02348	5.1
175.03928	2.1
177.01839	2.0
185.02354	2.8
187.00316	0.9
189.01831	3.5
190.02667	1.1
191.03429	3.1
199.00307	0.9
200.01106	1.2
201.01881	6.4
203.03455	3.8
213.01942	1.1
214.02702	1.0
214.99779	1.6
216.00545	1.0
217.01378	5.7
218.02016	0.8
219.02864	1.3
226.99805	2.6
228.00415	1.3
229.01341	9.4
230.01976	0.7
231.02899	2.4
242.99239	2.2
244.00014	1.0
245.00882	9.0
246.01373	1.2
247.02493	8.5
248.03006	0.8
249.04016	5.9
254.99332	0.7
257.00806	4.8
258.01627	0.8
259.02359	1.5
261.00381	2.3
263.01987	0.7
270.98843	5.2
271.99557	1.0
273.00397	15.7
274.00992	1.3
275.01971	13.1
276.02182	0.8
283.99649	2.3
285.00256	0.8
288.99738	1.1
291.01495	8.7
298.98349	7.2
299.99136	5.5
300.99875	100.0
302.00214	7.6
312.99887	1.0
314.97809	0.8
316.99387	4.7
321.40149	0.7
331.00839	1.5
419.05728	0.9
433.07730	1.2
461.03659	1.6
477.06793	2.3
479.04630	2.6
493.06339	1.3
658.58386	0.7
753.06000	1.0
763.04144	0.8
767.06628	0.8
777.05817	2.9
795.07007	3.1
796.08179	0.9
815.09064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04222	0.4
63.38171	0.4
65.00203	1.0
69.30528	1.5
69.30956	2.9
75.00723	0.6
79.31084	0.4
91.01709	0.5
94.88402	0.4
106.37025	0.5
115.01766	0.6
117.03408	0.5
119.01295	0.6
120.02081	0.6
121.14577	0.5
123.00771	1.1
124.01563	0.7
125.02271	0.7
130.44772	0.4
131.04877	0.5
132.02046	1.2
137.02364	0.9
139.00227	0.5
143.01253	2.5
144.93509	0.5
145.02855	0.5
147.00771	0.7
147.04379	0.7
148.01575	2.2
149.02261	0.5
151.00269	1.8
159.00758	1.9
160.01505	3.5
161.02383	2.4
163.00230	0.9
164.01079	0.6
169.01352	1.1
171.00792	1.8
173.02383	1.0
175.00313	0.9
175.03923	1.4
176.01060	2.5
177.01845	2.2
178.99791	1.8
183.14256	0.4
187.00279	3.5
187.03894	1.0
188.01047	3.7
189.01808	1.5
190.99725	0.6
191.03384	0.9
199.00308	1.2
201.01872	1.1
202.99826	1.3
203.03436	1.1
204.00560	5.8
205.01337	4.4
206.01863	0.5
206.99327	1.4
214.02565	1.1
214.99831	6.9
216.00571	8.0
217.01328	2.6
218.02203	0.7
219.02899	2.4
220.03658	1.4
226.99774	1.4
227.01918	0.7
229.01239	1.0
230.99298	1.4
231.02896	1.5
232.00047	5.0
233.00743	1.5
242.01988	0.8
242.99303	6.5
243.02838	0.6
244.00110	4.5
245.00795	2.0
247.02451	2.7
248.03043	1.6
258.98880	2.3
259.02469	1.7
259.99564	2.4
263.01907	3.2
264.02731	6.4
265.03415	0.5
270.98846	3.6
271.02441	6.4
273.00217	0.6
275.01929	5.2
286.98392	1.3
287.01929	3.8
291.01523	2.4
300.99881	0.9
302.00528	0.7
303.01428	31.2
304.01788	2.0
316.02216	18.0
317.02951	4.5
319.00955	4.1
320.01556	1.3
321.02771	0.8
335.04007	1.7
347.00430	25.5
348.00806	1.6
361.01758	0.8
379.03027	100.0
380.03369	7.6
404.28650	0.6
463.08777	31.4
464.09207	3.8
684.85828	0.6
742.97827	0.5
766.45135	0.5
834.21521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.5
67.33975	0.6
69.03312	2.3
69.94763	0.7
71.01254	5.9
71.12067	1.1
73.02810	1.0
75.87952	0.6
78.95744	1.3
83.01258	1.0
85.02818	9.5
87.00733	1.5
89.02303	4.4
90.91404	0.6
96.53376	0.6
96.95875	2.7
97.02833	2.1
97.06454	1.4
101.02315	5.6
112.93613	1.0
113.02335	4.3
119.03381	1.6
123.07904	0.6
125.02322	1.6
125.09598	0.9
127.11155	1.2
133.04921	0.8
137.09587	2.0
143.03375	0.9
156.69888	0.7
161.04469	2.5
167.14374	0.7
169.01318	1.9
171.10175	23.9
177.12735	1.2
179.05487	1.2
179.14412	1.2
183.13741	1.1
195.13852	7.2
201.11304	1.1
209.11798	1.5
211.13333	10.9
221.11705	1.7
223.13345	5.6
229.14388	7.2
235.08165	7.1
239.12892	1.5
253.09253	35.6
254.09596	1.5
256.13132	0.8
275.01813	0.7
275.20062	5.9
291.19757	3.5
293.21213	100.0
294.21613	8.2
300.99902	2.1
302.00250	0.7
309.20673	7.6
310.20963	0.8
327.21741	77.7
328.22031	6.6
529.30316	1.8
545.29724	1.5
563.30481	5.6
603.42877	4.0
707.03162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
59.92199	0.4
67.01756	1.3
69.03323	2.8
69.46028	2.1
69.46458	1.5
71.01251	1.9
71.71247	0.4
72.99194	0.5
79.01752	0.4
79.95602	0.6
81.03315	1.2
83.01253	0.7
85.02831	1.2
87.00797	0.7
95.01273	3.4
96.95891	1.8
97.02820	3.0
98.20539	0.5
105.22644	0.5
107.01273	10.5
109.02811	0.9
111.00759	1.9
113.02297	1.3
119.04961	0.6
121.02851	1.0
123.00769	7.7
124.01566	2.5
125.02333	95.3
126.02667	2.5
127.00304	1.0
135.04459	0.6
136.98721	1.7
137.02383	0.6
139.00269	3.2
139.03911	0.7
140.01051	2.7
141.01863	1.2
145.02817	0.7
147.04424	0.8
149.02354	6.9
150.03040	0.6
151.00264	1.7
151.03928	0.6
152.01079	0.7
153.01849	0.8
161.02393	0.9
163.03940	1.2
164.01019	0.4
164.04683	5.0
165.01822	1.3
165.05331	0.6
166.99722	2.1
168.00551	5.3
169.01334	100.0
170.00432	0.5
170.01677	3.2
175.00211	0.7
177.01852	0.7
179.03450	0.7
179.06990	0.7
183.02898	1.5
190.02663	2.3
191.03348	1.7
193.01263	1.8
194.02139	0.5
195.06612	0.6
203.03583	0.7
205.01350	1.6
205.05037	2.5
207.02913	0.6
208.03651	1.5
209.04483	1.5
211.02380	2.7
223.06053	7.0
231.02974	0.5
233.04474	0.6
261.07779	0.6
270.98926	0.7
295.04587	0.8
298.98605	0.4
299.99164	0.6
300.99963	2.1
302.00433	0.4
313.05643	1.0
321.02496	2.0
335.07867	0.7
477.10504	0.5
501.10397	2.3
502.10794	0.6
519.11395	3.9
537.12726	1.2
635.24799	0.5
660.20740	0.5
671.12451	8.1
672.12323	1.0
689.13544	19.7
690.14240	2.5
841.14587	29.8
842.15039	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	837.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.2
61.98705	0.9
71.01254	4.0
71.04885	1.1
71.12111	0.8
71.59356	0.5
73.02831	0.7
78.95763	1.1
79.95609	1.6
80.96396	1.5
83.04871	1.0
85.02782	1.3
87.00761	0.8
88.76889	0.6
89.02318	2.4
96.95884	16.1
96.96834	1.1
97.02831	1.7
97.06446	0.9
101.02311	3.1
109.06459	5.7
111.08028	1.8
112.93611	2.8
113.02347	1.4
113.86969	0.5
119.03350	0.7
125.02322	1.2
125.09613	1.7
127.07498	0.6
137.09648	1.1
151.11163	1.0
153.12727	4.3
161.04453	1.8
163.11127	0.6
169.01340	0.7
169.12222	2.1
171.10165	2.5
177.12726	0.6
179.05595	0.6
179.10648	0.8
179.14374	2.3
181.12244	11.6
181.13727	1.0
185.11655	0.7
193.12140	0.5
195.13861	4.4
196.14528	0.6
197.11751	11.9
197.13512	0.8
198.12022	0.8
199.13362	1.4
205.12265	0.8
207.13867	4.9
209.11760	1.8
211.13341	6.8
223.13301	3.3
225.14908	0.6
227.12903	0.6
228.13524	0.8
235.08189	2.4
235.13345	1.5
239.12897	1.3
241.14221	0.7
247.20610	2.0
253.09261	16.8
263.20145	1.7
273.18588	2.4
275.20282	3.0
277.21719	19.5
278.22070	2.1
289.18063	1.6
291.19641	27.7
292.20032	1.6
293.21198	41.7
294.21469	4.2
300.99887	0.8
305.21265	1.9
307.19211	1.5
307.71707	0.6
308.19745	1.3
309.20703	16.3
310.21072	1.8
322.98065	1.6
323.22244	100.0
324.22562	8.1
325.20172	20.9
325.24124	0.8
326.20477	2.1
332.70529	0.6
389.57489	0.6
561.29156	0.8
601.41077	1.2
819.38470	2.4
820.39410	0.8
837.37756	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	837.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
63.96102	2.1
69.03316	1.3
71.01247	10.4
71.36799	0.7
71.37144	1.1
73.02814	2.1
78.98462	7.6
79.95602	17.0
80.96389	94.7
85.02817	3.8
86.67442	0.6
87.00738	3.6
94.97956	20.3
94.98571	1.0
96.95879	1.7
97.02843	0.9
101.02331	3.0
106.97967	3.5
122.97457	4.2
125.02319	3.1
127.03880	1.1
134.97478	6.4
136.99036	1.6
148.99051	6.6
152.98538	6.2
155.45651	0.5
164.97261	1.0
164.98547	12.4
192.51202	0.5
206.99643	2.4
225.00696	15.9
238.43108	0.6
277.21671	1.8
559.26251	2.7
837.48242	100.0
838.48523	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	837.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
63.96100	2.4
69.03324	0.9
71.01254	9.8
71.37167	0.8
73.02807	1.8
74.49348	0.5
78.98458	8.4
79.95604	16.6
80.96388	100.0
83.92712	0.6
85.02825	3.9
87.00728	3.0
94.97958	23.3
96.95875	1.8
97.02819	1.7
99.00735	1.3
101.02306	2.8
106.97947	4.0
121.93460	0.6
122.97482	4.2
125.02352	3.6
127.03880	1.6
134.97481	6.9
136.99049	1.9
148.99040	8.7
152.98550	8.5
164.98546	14.7
166.59047	0.6
166.66316	0.6
177.22531	0.6
198.37236	0.5
206.99617	1.6
225.00684	20.3
277.21646	2.1
309.73883	0.6
426.40659	0.6
559.25555	3.2
586.78461	0.7
827.24774	0.6
830.73273	0.8
837.48248	77.2
838.48676	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	837.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
63.96109	1.3
66.68060	0.5
69.03313	0.8
71.01251	9.9
71.19679	0.9
71.20000	0.6
73.02821	2.3
78.69406	0.6
78.98457	8.0
79.95605	17.8
80.96388	100.0
81.03323	0.8
85.02812	3.8
87.00743	3.5
87.65423	0.6
88.84325	0.5
94.97954	21.3
95.01273	0.8
96.95879	1.6
97.02827	2.3
99.00727	0.6
101.02322	3.3
106.97982	4.2
122.97453	4.7
125.01507	0.7
125.02322	3.5
127.03908	0.7
127.07265	0.5
134.97476	6.3
136.98993	1.1
148.99040	7.1
152.98544	5.9
164.98535	14.8
167.00015	0.7
202.54558	0.6
206.99628	3.1
225.00696	17.4
226.01065	0.6
228.24385	0.6
277.21616	1.4
283.80804	0.5
289.56656	0.6
422.29321	0.6
559.25934	2.6
642.10114	0.6
837.48248	91.1
838.48511	21.1
838.61731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.31
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99475	23.9
59.01250	4.5
62.66310	0.3
63.96100	0.5
70.72658	0.8
70.73000	0.3
71.01247	4.1
71.57462	0.2
72.99185	0.5
73.02832	0.5
74.98971	21.9
75.00742	0.3
79.54469	0.3
79.95606	43.0
80.02554	0.6
80.96389	18.4
81.03332	0.9
83.01264	0.7
83.04897	2.9
84.02050	0.5
85.02830	1.3
86.98968	0.7
87.00748	0.9
87.99756	1.3
89.02319	3.3
95.04848	0.3
96.95885	4.3
97.02825	0.5
97.06456	0.6
99.00739	0.4
101.02307	3.3
106.76353	0.3
109.06465	1.0
111.00738	0.3
111.92844	1.1
112.93614	16.2
113.02356	2.0
119.03399	0.7
123.00752	0.6
125.02356	2.1
125.05897	0.3
125.09623	0.6
128.93112	1.5
138.95193	100.0
139.95465	0.9
141.01848	0.4
143.03391	0.6
145.05101	0.3
161.04494	1.1
161.09622	0.5
161.26222	0.3
163.11203	2.2
165.12755	1.4
166.99832	0.3
169.01332	1.6
171.10205	1.4
179.05501	0.6
181.12260	0.5
184.95854	0.3
185.11790	0.5
191.10703	0.5
195.10204	0.3
197.11824	1.5
199.13293	1.1
207.10120	1.9
209.11775	42.6
210.12099	1.3
211.07980	0.4
225.11284	0.6
227.12837	5.7
229.09006	2.3
231.10507	2.0
235.08180	1.4
239.07498	0.3
247.13306	0.4
251.13037	0.4
253.09209	1.3
278.93488	0.3
279.83783	0.3
300.99908	1.1
321.08997	0.6
339.09946	0.6
367.15512	0.3
379.12469	0.7
385.36984	0.4
397.13455	6.5
415.14474	1.6
465.18103	0.4
515.26935	0.4
653.30927	0.3
657.29346	0.4
675.30267	3.2
689.33997	0.5
703.29846	1.1
731.26404	0.4
735.32874	5.1
736.33276	0.7
789.30029	1.7
803.28253	0.8
810.64038	0.4
835.30585	2.8
836.30591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	1.1
59.01248	24.9
68.99665	0.8
71.01254	17.3
72.99167	2.4
73.02800	0.9
79.95595	1.6
80.04916	2.0
83.01243	1.6
85.02839	4.8
87.00717	1.2
89.02322	10.1
95.01250	2.5
96.95882	4.2
99.00739	1.0
101.02317	10.7
106.06491	5.3
107.01255	1.2
107.03651	1.3
108.04388	1.7
112.93615	3.1
113.02331	4.4
119.03395	4.1
121.05254	1.0
122.06008	11.1
123.00766	3.0
125.02329	5.7
132.04451	2.6
134.06015	27.0
136.07549	1.4
146.05992	1.5
151.04022	1.0
152.07086	5.4
160.03879	2.0
160.06279	1.5
166.99786	1.2
169.01300	5.2
174.05530	1.4
180.06563	1.2
181.04906	1.1
187.00113	1.0
188.07066	2.8
190.05019	2.6
197.07172	1.0
201.01889	1.1
209.11790	2.0
211.08659	1.2
213.10277	6.6
223.08635	1.1
224.09442	1.3
225.10321	2.4
226.11075	1.4
227.11865	1.5
236.09413	1.3
237.10353	1.9
239.11810	5.4
241.13443	3.1
245.00951	1.0
249.06705	1.1
249.10225	2.5
250.07451	2.1
251.08206	4.7
251.11800	3.5
252.08965	2.5
253.09782	4.4
254.10248	1.0
261.10263	1.0
263.08316	4.2
264.08826	2.1
265.09814	6.4
266.10428	1.1
267.11362	4.7
270.98898	1.3
273.00470	0.9
276.08734	1.1
277.09726	4.2
278.07089	2.3
278.10495	4.7
279.07690	7.2
279.11008	7.8
285.12457	9.7
291.07816	2.1
291.11069	1.3
292.08560	3.3
293.09317	12.3
293.12665	1.8
294.10025	2.9
295.10910	6.4
296.11472	1.0
300.99921	4.3
305.09387	2.7
306.10077	1.6
307.10889	6.2
309.12259	2.0
314.12637	1.6
321.08853	4.9
321.12344	1.3
323.10394	1.1
333.09003	1.5
337.08191	1.6
337.11789	1.4
339.09839	6.7
340.14603	1.1
342.12805	1.4
351.09802	4.5
356.13849	1.6
357.14795	1.7
358.15491	2.5
370.11847	1.5
372.17075	1.7
381.10693	1.0
384.13205	1.6
398.15103	2.3
400.16623	6.7
410.15103	1.3
412.16586	4.0
413.17065	1.2
425.17715	2.1
427.19153	1.0
440.16293	1.3
442.17529	1.4
468.15256	2.1
486.16782	5.0
614.38428	1.1
620.22437	2.5
638.23535	7.8
639.23755	2.1
641.22345	1.4
648.21661	4.7
649.22424	2.6
666.11957	1.7
666.22992	25.2
667.23492	4.3
680.24774	1.6
681.23370	1.1
698.25641	1.9
712.27051	6.6
725.30505	1.1
727.29993	5.8
728.29041	1.4
771.28754	40.3
772.29205	8.6
775.27844	0.9
803.31403	100.0
804.31812	21.9
835.33405	24.2
836.34210	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	833.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
69.03351	2.0
71.01239	1.6
71.56514	0.5
71.57220	0.3
79.95580	0.6
83.01273	0.4
84.02040	0.5
85.02821	10.7
88.98643	0.4
95.04894	0.6
96.95902	1.9
97.02820	1.8
97.06458	1.1
99.00771	0.5
101.02328	1.0
101.41357	0.4
111.00735	0.4
113.02307	0.4
116.38580	0.3
119.08530	0.7
123.00749	0.4
123.08020	0.5
125.02308	1.0
125.09590	0.6
127.11174	1.0
137.09604	3.1
163.11150	0.5
169.01288	0.9
171.10176	30.0
172.10487	0.9
177.12679	0.3
181.12239	0.5
183.13782	1.1
185.11746	0.4
193.12305	0.5
196.74814	0.3
201.11253	1.2
207.10164	1.2
209.11743	3.0
211.13332	8.8
221.11754	1.4
224.55630	0.4
225.11290	1.8
227.12831	0.6
229.14439	5.3
237.31816	0.3
239.12866	1.2
241.01154	0.3
265.71487	0.3
291.19656	2.0
300.99908	1.1
327.21750	100.0
328.22092	6.8
409.43942	0.4
441.03394	0.3
481.79163	0.4
505.33801	3.9
688.03082	0.4
707.12714	0.4
815.37531	0.3
833.37286	0.8
833.51807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.6
66.68415	0.4
71.01254	0.4
72.04080	0.5
73.52376	0.4
78.95773	28.4
96.96836	6.0
103.04971	0.4
116.20573	0.4
124.94541	0.4
133.12305	0.4
141.01555	2.0
152.99495	9.5
223.00102	4.2
240.00623	0.4
241.01151	19.7
255.23273	28.8
256.23553	1.8
259.02216	1.8
277.21710	20.2
278.22028	1.7
297.03848	1.7
305.02219	0.8
315.04971	0.5
391.22537	9.9
392.22623	0.4
409.23688	0.5
413.20898	1.6
544.93799	0.4
553.27905	7.8
554.27985	1.1
563.89966	0.5
571.28625	1.5
575.26074	1.4
831.50275	100.0
832.50610	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	6.8
64.29305	1.4
69.02873	1.7
69.78522	5.8
69.78930	3.5
78.95773	97.9
79.95588	1.6
80.96394	3.2
84.49566	1.6
87.83614	1.6
96.96837	25.7
124.83014	1.5
152.98322	1.9
152.99493	27.3
174.99132	2.0
192.95833	7.7
217.00191	6.0
221.54399	2.0
223.00108	10.6
241.01144	41.9
255.23280	68.5
256.23590	6.1
277.21719	37.5
277.24466	1.1
278.22058	2.9
297.03775	2.4
350.94714	4.1
374.98779	2.5
391.22607	6.6
427.66980	1.5
553.27594	6.8
570.49780	1.8
792.72302	1.9
831.50189	100.0
832.50562	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	833.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01574	2.1
61.98703	14.8
69.36888	15.4
71.01250	17.5
73.30475	1.8
75.00746	29.7
78.95778	3.2
79.95594	2.6
83.01261	3.4
87.00764	2.1
89.02332	5.3
90.97015	3.4
95.01285	2.7
96.95874	14.8
97.02829	3.0
98.20558	3.2
98.95472	4.0
99.00751	4.3
101.02335	5.7
113.02320	4.1
113.05931	2.3
115.69021	1.7
116.98589	3.3
118.96517	8.3
125.02335	7.1
128.98558	2.3
144.98045	2.5
146.96031	3.2
156.91449	3.4
156.98997	34.7
157.01057	11.9
169.01387	2.1
196.66994	1.8
197.83525	1.8
210.99272	2.1
217.00169	2.3
229.00429	2.0
259.01257	2.0
277.02377	3.4
277.21692	18.4
278.22006	2.0
291.04187	2.5
305.08847	2.9
361.04474	7.5
370.70984	2.1
397.13513	38.2
407.17566	10.3
407.22095	2.1
415.14594	10.4
429.19522	3.4
435.08130	14.4
453.09241	39.2
454.09943	2.2
593.26141	5.6
661.15405	2.0
671.97339	2.0
713.30676	61.8
714.31036	8.0
826.52258	2.4
833.38525	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	831.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84428	0.4
98.19765	1.4
115.80689	0.5
117.03326	1.0
119.04832	0.7
133.02904	1.0
137.02411	0.5
145.02824	2.6
147.04448	1.0
157.02795	1.3
159.04391	0.7
160.01454	0.5
161.02341	2.1
163.03915	2.2
171.00761	2.0
172.01596	0.9
173.02335	3.5
175.03900	1.3
177.01837	1.0
185.02313	2.5
187.00230	0.6
189.01817	3.2
190.02539	0.6
190.88907	0.4
191.03383	2.3
199.00316	1.8
200.01064	1.5
201.01869	5.4
203.03413	2.0
212.70493	0.5
213.01912	0.8
214.99799	1.8
216.00540	0.5
217.01346	4.8
218.01917	0.6
219.02959	1.0
226.99846	3.9
228.00446	0.6
229.01340	6.5
231.02937	2.1
242.99316	2.0
243.03075	1.2
243.99797	0.5
245.00862	6.3
246.01482	0.7
247.02452	7.0
248.02962	0.9
249.04002	2.4
254.99275	1.1
257.00919	3.3
261.00388	1.6
268.15070	0.5
270.98874	5.9
271.99524	0.7
273.00415	8.6
274.01035	0.9
275.01971	7.3
283.99667	1.4
285.00446	0.7
288.99744	0.7
291.01395	4.6
298.98297	7.1
299.98972	5.2
300.99869	100.0
302.00266	7.1
315.01474	0.8
316.99377	1.9
317.99753	0.6
419.06506	0.7
433.07687	1.1
451.04898	0.9
461.03406	1.9
479.04501	2.6
493.06171	1.5
581.30542	0.7
763.03516	0.8
767.07361	1.1
777.05518	2.1
781.04681	0.6
785.08459	1.6
795.06635	2.3
813.07397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.9
67.01741	1.5
69.03331	1.0
71.01241	3.6
71.56432	1.3
72.99149	1.3
79.01720	1.8
79.95594	1.2
80.41600	0.8
83.01249	1.5
85.02821	1.3
86.44368	0.8
89.02314	1.7
95.01263	4.5
96.95899	1.4
97.02807	2.3
101.02322	1.9
107.01262	6.7
108.02071	1.4
109.02792	1.1
109.22784	0.9
111.00755	5.4
113.02316	1.1
121.02847	2.0
123.00768	17.5
123.04414	1.9
124.01546	2.6
124.25409	0.8
125.02332	69.9
126.02663	2.8
127.00314	2.2
133.02797	1.0
136.98703	3.6
137.02324	2.0
138.03102	1.3
139.00278	8.4
139.03865	2.4
140.01067	7.4
141.01845	2.3
145.02823	1.6
149.02341	2.2
150.03128	3.4
151.00288	5.4
151.03885	3.5
153.01913	1.5
161.02351	0.9
162.03152	1.5
165.05461	3.9
166.06255	10.5
166.99754	5.9
168.00572	10.8
169.01332	100.0
170.01651	3.1
176.74846	0.9
177.05522	1.5
181.01343	2.4
181.08601	4.0
183.02927	9.8
189.01746	1.0
195.02892	1.9
195.06522	1.3
230.44040	0.8
245.00883	1.3
252.25403	1.0
270.98730	0.9
273.07623	1.1
288.99921	2.2
300.99472	1.0
303.08630	1.4
317.06665	3.2
318.07401	9.4
331.08255	2.1
332.08990	19.1
333.09753	18.7
334.10095	1.9
347.07687	5.4
347.11481	3.2
387.10806	3.1
481.14883	3.0
493.13852	4.6
511.16559	1.4
529.17139	9.8
645.61865	1.1
675.22937	42.2
676.23315	7.8
681.18365	3.1
827.24054	83.8
827.41211	5.0
828.24335	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05598	1.1
71.04788	2.0
92.12127	1.0
101.89739	1.0
110.87421	1.0
117.03376	1.1
123.12979	0.9
129.78951	1.0
133.02821	1.3
145.02832	4.0
147.04446	1.1
157.02901	1.2
157.47020	0.9
161.02318	3.2
163.03848	2.2
171.00752	2.6
173.02336	4.5
185.02368	3.3
187.00217	1.7
189.01894	3.1
190.99825	1.2
191.03401	2.7
199.00282	2.8
200.01085	1.2
201.01874	6.4
203.03465	2.1
214.99791	3.3
216.00366	1.4
217.01375	4.7
226.99792	2.7
228.00372	1.6
229.01353	8.1
231.02975	1.3
242.99324	2.8
245.00697	4.7
247.02383	3.8
249.04205	1.2
254.99287	1.0
255.69373	0.9
257.00839	2.8
259.99539	1.0
261.00272	1.9
270.98792	5.5
273.00378	6.0
275.02008	3.1
283.99567	1.6
291.01447	1.8
298.98376	8.5
299.99048	8.1
300.99881	100.0
302.00165	6.4
316.99426	2.1
378.40866	1.0
461.03513	1.8
479.04388	2.8
493.06204	2.1
586.29736	0.9
642.13281	1.2
763.03821	1.2
777.05518	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	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.7
59.01248	6.6
61.98703	3.1
69.03316	1.9
71.01250	8.6
71.47072	0.6
71.56142	0.6
71.56643	0.8
73.02818	1.1
78.95765	1.2
79.95602	3.6
80.96381	8.1
81.03346	0.7
81.95160	0.8
82.95959	1.8
83.04868	1.2
85.02827	2.2
87.00749	1.9
88.70570	0.7
89.02313	4.8
89.11760	0.7
92.80746	0.7
94.97936	1.2
96.95882	9.0
97.02823	6.0
97.06441	0.9
101.02325	7.2
111.08041	4.1
112.93584	1.0
113.02309	3.1
119.03373	0.9
119.08511	1.1
121.10139	0.8
125.02359	1.0
125.09579	1.3
137.09575	1.5
152.99438	1.0
161.04398	2.5
163.11200	1.4
165.12711	4.2
169.12267	1.4
171.10185	5.6
179.05452	1.2
179.14365	1.0
181.12221	1.4
183.13789	1.5
193.12450	0.9
193.15927	1.1
195.13834	9.3
196.14510	0.8
197.11765	19.1
198.12151	1.3
199.13295	1.4
205.16089	0.7
209.11774	2.4
211.13316	4.9
223.13356	7.8
227.00270	1.3
227.12779	4.2
231.21257	0.8
235.08147	2.6
247.09447	1.3
247.20586	2.8
253.09259	29.4
254.09761	1.2
256.13171	1.7
263.20081	1.3
273.18573	1.7
275.20184	6.8
277.21750	3.6
291.19641	38.1
292.19815	3.5
293.21210	100.0
294.21494	9.2
309.20691	80.6
310.21048	7.1
374.22531	0.8
460.97955	0.7
545.29578	1.6
585.41315	3.6
803.39362	1.5
821.41339	8.0
822.40906	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	823.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.6
59.01247	7.8
66.22644	0.3
66.64262	0.3
69.03321	1.8
71.00883	0.6
71.01251	7.5
71.04546	0.7
71.04881	0.7
72.99170	0.5
73.02808	1.7
75.16692	0.3
78.95763	0.5
79.95575	0.6
80.96370	0.3
81.03306	0.3
83.01237	1.4
83.04888	1.0
84.02055	0.5
85.02824	8.1
87.00732	1.3
89.01777	0.3
89.02307	6.5
91.03873	0.7
95.01269	0.8
95.04877	1.0
96.95893	8.4
97.02833	1.6
97.06463	3.5
99.00751	0.8
101.02328	6.0
101.58056	0.3
111.08018	0.5
113.02324	4.4
119.03379	1.6
125.02330	0.8
125.09613	2.1
127.11165	1.5
137.09615	2.6
140.14882	0.4
143.03415	0.8
145.04980	0.7
145.78035	0.4
155.10625	1.1
155.14294	0.5
161.04469	3.5
165.12717	0.8
167.14276	0.7
171.10182	22.2
172.10545	0.7
177.12747	0.9
179.05490	1.5
181.12268	0.5
183.13818	3.0
184.75787	0.3
185.11604	0.8
193.12192	0.9
195.13846	0.7
197.11696	1.6
201.11246	0.9
203.10582	0.6
209.11765	1.8
211.13342	16.4
212.13661	0.8
213.40390	0.3
221.11810	2.2
223.13368	0.5
227.12791	0.7
229.14403	10.7
230.14616	0.7
233.15514	0.8
235.08211	9.2
239.12904	2.0
247.20689	1.0
253.09265	32.3
254.09654	1.0
275.20120	0.4
277.21713	83.5
278.22064	5.6
291.19653	9.0
292.20020	0.6
295.22757	2.9
309.20697	22.0
310.20947	1.6
314.07956	0.3
327.21750	100.0
328.22086	6.6
332.58633	0.4
351.21640	0.5
513.30664	0.4
545.29675	3.0
563.30847	5.2
564.30731	0.7
587.43427	2.7
823.45685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.3
60.70803	0.4
69.03326	1.7
71.01247	7.7
72.99163	0.6
73.02806	1.9
78.95772	0.6
80.96386	0.6
83.01249	1.3
83.04896	0.5
84.02046	0.6
85.02818	7.1
85.06461	0.4
85.99931	0.5
87.00758	2.6
89.02317	3.1
95.01254	0.6
96.95911	2.3
97.02798	2.3
97.06458	0.6
98.95495	0.6
99.00759	0.7
101.02320	8.6
113.02324	3.8
119.03385	1.4
125.02267	0.5
125.09618	0.5
127.11176	0.7
133.04924	1.2
137.09601	2.4
143.03441	1.1
145.04990	2.2
155.10692	0.5
161.04465	3.2
171.10170	19.3
172.10468	0.6
179.05576	0.7
183.13815	1.3
185.11720	0.5
201.11227	1.0
211.13319	4.7
221.11803	0.9
223.13167	0.6
229.14377	3.4
235.08183	21.6
236.08476	0.6
239.12939	0.6
247.66502	0.4
253.09250	20.0
254.09760	0.6
277.21704	100.0
278.22076	7.3
291.19641	3.0
309.20663	7.3
310.20972	0.7
313.48477	0.3
327.21741	55.8
328.22095	3.8
513.30933	0.5
545.29779	1.7
563.30890	1.3
587.43109	1.4
723.19977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
57.67091	0.3
59.01250	5.6
59.01520	0.4
60.01600	0.4
61.98709	4.9
68.44996	0.3
69.03339	0.9
70.80048	0.8
71.01254	4.8
72.99198	0.6
73.02831	1.0
78.95793	1.0
79.95624	1.1
80.49760	0.4
80.91571	0.6
80.96399	1.4
82.95293	0.4
83.01256	0.6
83.04911	0.6
85.02851	1.2
87.00768	1.0
89.02317	3.8
89.02737	0.3
95.01294	0.5
95.04898	0.5
95.50407	0.3
96.95898	3.6
97.02830	0.3
97.06506	0.4
99.00774	0.3
101.02311	5.3
109.06518	0.4
111.08045	7.1
112.08463	0.4
112.93630	1.5
113.02341	2.7
113.09654	0.6
119.03433	0.9
127.07545	0.5
131.03339	0.4
141.08992	0.3
143.03380	0.4
145.05084	0.3
151.11174	0.9
152.99385	0.5
153.12776	0.8
161.04439	2.6
167.10690	0.7
169.12274	3.2
171.10204	0.8
177.12711	0.3
179.05536	0.5
179.10744	0.4
179.14314	0.9
181.12291	1.2
183.13860	0.6
195.13823	8.4
196.14415	0.7
197.11768	32.4
198.12119	1.5
199.13322	1.8
205.12335	0.6
209.11668	0.4
211.13310	5.1
219.10130	0.4
223.13333	6.4
224.13892	0.6
227.12799	0.5
228.13535	0.5
231.21016	0.4
235.08195	2.4
247.20708	0.3
249.18349	0.3
253.09254	29.7
254.09581	0.9
256.13187	1.3
263.08994	0.5
263.20123	2.5
265.18085	1.0
273.18695	0.5
275.20163	6.0
276.20612	0.5
277.21814	1.2
279.23325	1.6
280.23590	1.1
291.19653	11.5
292.20081	0.7
293.21219	100.0
294.21567	7.2
309.20697	48.0
310.21060	3.6
379.28333	0.4
433.20493	0.4
492.21951	0.5
529.30060	1.5
545.29498	1.0
585.41620	3.0
698.63074	0.4
729.45544	0.8
821.41187	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01000	0.5
59.01248	6.6
59.37256	0.5
61.98702	9.8
68.94427	0.4
69.03320	1.2
70.33124	1.9
71.01254	5.7
71.04862	1.2
73.02799	1.3
78.95740	0.6
79.95593	4.2
80.96385	7.3
82.95978	0.5
83.01235	1.2
83.04874	1.6
85.02804	1.7
85.06442	0.8
87.00731	1.2
89.02316	5.0
95.01279	0.5
95.04898	0.6
96.95889	9.8
97.02824	3.4
97.06459	0.8
101.02306	6.1
109.06443	2.3
111.04357	0.8
111.08057	3.5
113.02336	2.8
119.03370	1.9
119.08442	0.5
125.02275	0.8
125.09586	0.5
127.87907	0.5
131.03320	0.6
137.09543	1.0
143.03419	0.6
161.04449	3.1
165.12775	1.2
167.10638	0.8
169.12341	0.8
171.10118	3.9
179.05443	0.6
179.10704	0.6
179.14299	1.9
181.12202	1.2
183.13719	0.9
193.12248	0.8
195.13835	13.4
196.14334	0.9
197.11765	9.4
205.12279	1.1
205.15848	0.7
209.11702	1.3
211.13358	6.2
221.15363	3.7
223.13345	10.1
225.11229	0.9
225.14880	0.7
227.12778	1.4
228.13454	0.7
235.08287	1.6
235.17029	0.7
239.16420	1.2
247.09525	1.9
247.20695	1.8
253.09248	33.5
254.09579	1.6
256.13101	1.1
263.20154	0.8
265.10492	1.0
273.18521	1.7
275.20114	5.6
276.20526	0.9
277.21719	4.1
291.19666	27.3
292.19971	2.2
293.21216	100.0
294.21548	9.2
309.20700	84.4
310.21017	7.5
351.94113	0.5
353.19446	0.5
438.88760	0.6
447.22165	0.6
512.30164	0.6
527.28589	0.7
529.30493	1.2
545.29578	2.1
545.37335	0.7
585.41754	2.3
638.58038	0.6
648.38794	0.6
803.39191	0.9
821.40289	6.5
822.40582	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	819.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33194	0.4
59.01249	1.3
63.69622	0.4
69.50458	0.4
69.52562	0.6
69.52959	2.3
71.01259	1.7
79.95609	13.7
80.02535	0.7
80.96389	8.6
81.03316	0.6
83.04887	3.1
84.02076	0.5
84.61907	0.4
85.02838	0.5
86.98975	1.0
87.00764	0.4
88.98686	0.5
89.02322	0.7
95.01237	0.4
96.95890	8.3
97.27843	0.4
98.20515	0.9
101.02328	1.5
109.06441	0.9
112.93612	100.0
113.02343	0.7
113.93552	0.9
123.00751	0.7
125.02342	0.8
135.08054	0.5
138.95207	0.6
163.11180	2.4
165.12758	1.5
169.01340	1.2
171.10225	0.4
181.12209	0.6
191.10747	0.8
207.10156	0.9
209.11769	46.6
210.12173	2.8
217.09015	0.7
224.92226	0.4
227.12833	4.3
248.19830	0.4
253.09247	2.0
285.70871	0.4
300.99957	0.6
341.07138	0.4
408.65271	0.5
661.99524	0.5
819.31427	62.7
820.31787	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	821.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	24.5
71.01252	13.0
72.99175	1.1
80.04923	2.2
85.02811	3.5
87.00795	1.4
88.01114	1.0
89.02302	11.0
95.01238	1.2
96.95860	1.4
101.02318	6.7
106.06528	4.6
107.03662	1.9
108.04414	2.9
108.08038	1.3
113.02328	4.7
119.03358	2.4
120.04456	1.7
120.08075	2.5
121.05234	1.8
122.06005	19.1
125.02312	2.6
132.04449	7.4
134.06023	24.9
136.07579	4.7
146.06003	3.0
148.07559	1.9
152.07060	7.2
160.06311	4.5
160.07552	2.4
162.09206	4.9
169.01306	2.0
180.06560	7.9
188.07053	1.5
206.08281	0.9
211.08705	2.1
213.10281	23.4
215.11827	1.0
223.08751	1.7
224.09483	1.1
225.10312	4.5
226.11028	3.0
227.11737	1.6
229.24779	1.2
235.08655	1.7
236.09438	1.6
237.10236	4.2
238.10986	4.1
239.08264	2.2
239.11885	7.7
240.12270	1.2
241.13403	17.9
242.13814	1.3
249.10403	1.3
251.08092	2.6
251.11897	12.5
252.12566	3.0
253.09859	2.4
253.13472	5.4
263.11938	1.6
265.13287	1.0
266.10458	1.5
267.11496	2.0
267.14944	7.4
268.11963	1.4
269.12836	2.0
279.11377	11.4
280.11871	1.8
281.13055	2.3
283.14493	1.6
285.12442	45.4
286.12759	3.0
295.10855	1.7
298.98093	1.3
300.99896	2.1
313.11844	1.9
314.12350	1.3
344.14075	1.3
358.15530	2.4
372.16910	1.1
374.18655	2.9
384.17065	2.7
398.18646	3.3
399.19437	3.5
440.50604	1.0
459.17725	4.3
460.18698	1.3
467.75974	1.1
578.25085	2.8
612.25403	1.8
623.24878	1.6
640.25201	9.3
641.25116	1.3
652.16882	1.1
654.26593	7.4
655.26843	2.5
701.31799	8.4
702.32312	1.2
717.32013	1.3
745.30908	100.0
746.31067	17.8
777.33435	44.9
778.34167	7.2
803.30969	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	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
58.00470	0.6
59.01247	5.8
61.98699	4.7
62.66153	0.3
63.56633	0.3
67.35122	0.3
69.03306	1.3
69.43531	0.3
70.92216	0.3
71.01253	5.3
71.27574	0.8
72.99153	0.6
73.02825	1.1
75.26355	0.3
78.95767	0.9
79.95606	1.4
80.91534	0.6
80.96386	2.6
82.95972	0.4
83.01262	0.4
83.04913	0.5
84.02036	0.3
85.02816	1.5
87.00746	0.9
89.02307	4.4
94.97981	0.4
95.01261	0.8
96.95875	3.3
97.02859	0.9
98.59457	0.3
99.00764	0.5
101.02316	5.1
109.06478	0.8
111.08044	8.1
112.93582	1.0
113.02338	2.3
119.03394	0.9
121.10107	0.4
123.08057	0.4
125.02361	0.4
125.09607	0.6
127.07515	0.8
137.09607	0.5
143.03357	0.7
149.09576	0.4
151.11159	0.6
153.12741	0.8
161.04457	3.1
163.11145	0.6
165.12750	1.0
167.10721	0.5
169.12236	4.2
171.10185	1.4
179.05498	0.9
179.10712	0.4
179.14323	1.2
180.84094	0.4
181.12251	1.1
183.13783	0.4
193.12357	0.5
195.13840	7.8
196.14403	0.6
197.11758	45.2
198.12093	2.0
199.13261	2.6
205.12222	0.7
205.16005	0.5
209.11743	0.7
209.15573	0.3
211.13330	8.6
212.13623	0.6
212.85823	0.4
223.13344	6.2
224.13928	0.6
225.14977	0.3
227.12801	1.3
228.13603	0.8
231.21054	0.5
235.08185	2.2
247.20528	0.8
249.14917	0.6
253.09247	28.4
254.09529	1.3
256.13153	1.0
263.20074	2.1
265.10620	0.4
265.18057	1.1
265.21701	0.4
273.18546	0.7
275.20181	5.8
276.20547	0.8
277.21780	2.3
279.23257	0.9
280.23636	0.7
291.19672	20.1
292.20010	1.3
293.21219	100.0
294.21545	8.0
309.20700	59.9
310.21054	5.5
433.20981	0.6
446.52087	0.4
492.22241	0.4
529.30225	0.8
545.29535	1.8
585.41669	2.0
586.42084	0.4
695.24310	0.4
803.38574	0.5
821.41235	3.0
822.41229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	0.8
61.98692	1.5
67.63789	0.3
71.01249	2.9
73.02816	0.4
83.01268	0.6
85.02832	0.6
87.00733	0.7
89.02310	1.9
95.01270	0.3
96.95907	0.5
96.99192	0.8
97.02833	0.8
101.02337	2.0
113.02306	1.0
119.03369	0.9
125.02323	1.2
141.01598	56.6
142.01926	0.8
143.03421	0.5
146.87517	0.3
161.04448	0.4
169.01218	0.4
170.86742	0.3
197.11781	0.6
203.99091	0.4
209.11736	0.4
221.06628	0.3
229.48172	0.3
235.08119	0.9
243.04822	1.0
253.09171	0.4
257.06265	0.3
264.17236	0.3
265.94443	0.3
277.21732	6.0
278.21973	0.8
305.08621	0.5
359.22034	4.3
360.22772	0.3
397.13504	12.3
398.14008	1.3
415.14526	2.8
419.11688	2.9
437.12778	4.5
438.12381	0.3
469.06262	1.1
675.35736	0.8
697.34039	1.9
698.33600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01585	1.1
61.98707	3.9
69.03327	0.4
69.42235	0.2
69.42532	2.6
71.01258	2.4
73.02807	0.3
85.02822	0.4
85.25565	0.3
87.00760	0.6
89.02304	1.7
95.01249	0.6
96.95915	0.7
96.99191	1.6
97.02844	0.8
101.02295	1.4
103.91991	0.3
113.02338	1.1
119.03410	0.6
125.02345	1.2
141.01602	59.1
142.01936	1.1
161.04463	0.4
169.01271	0.5
181.58435	0.3
209.11816	0.4
235.08205	0.8
243.04793	0.6
277.21729	5.8
278.22049	0.7
287.07462	0.3
291.27991	0.3
322.82498	0.3
359.22061	5.1
360.22385	0.6
397.13525	13.3
398.13641	1.1
415.14520	2.3
419.11725	2.4
437.12735	4.4
469.06265	1.0
597.82660	0.4
625.28357	0.3
675.36450	0.7
697.34039	2.3
698.34137	0.4
780.12976	0.3
791.00677	0.3
817.36859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.2
61.37640	1.1
61.98714	1.2
64.23328	1.2
71.01238	2.7
71.55962	2.0
72.99187	2.0
75.00760	4.4
89.02317	2.2
96.95870	1.3
101.02316	3.1
107.75397	1.1
110.50338	1.3
112.93626	1.1
113.02318	2.1
137.60179	1.3
147.64638	1.1
148.98601	1.2
183.00847	1.1
183.13832	6.1
183.88142	1.4
193.12343	1.7
195.13849	5.2
211.13335	100.0
212.13736	5.7
223.13368	4.6
231.72472	1.4
235.08163	3.7
253.09300	16.1
273.00745	1.3
275.20023	6.0
284.71228	1.2
293.21213	67.6
294.21469	6.9
379.87057	1.1
447.22180	9.6
448.22748	1.5
529.30280	3.8
555.29962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.7
65.00192	0.7
67.01749	0.9
69.03330	2.6
69.44373	5.1
71.01260	3.5
73.02801	0.9
79.95617	2.0
80.96400	1.1
81.03334	0.9
81.83488	0.7
83.01270	0.9
85.02857	0.9
87.00746	0.6
87.44636	0.6
89.02290	1.2
95.01280	2.2
96.95898	16.7
97.02814	3.2
98.19828	1.3
101.02296	1.4
107.01272	4.8
111.00761	1.3
112.93641	1.6
113.02337	0.8
119.04925	0.6
121.02775	0.9
123.00785	4.1
124.01559	1.7
125.02335	90.5
126.02648	3.6
135.04462	0.9
136.05186	1.6
136.98727	0.8
137.09624	0.9
139.00259	2.0
140.01050	1.1
141.92955	0.7
150.06761	2.4
151.00305	0.7
151.04015	0.6
155.10684	18.5
156.11002	0.9
165.09081	0.8
166.99777	2.2
168.00531	2.9
169.01335	100.0
170.01649	4.1
179.10675	0.8
193.01343	4.7
199.09706	8.6
201.01913	0.6
205.01329	0.9
205.04831	0.8
207.02861	0.9
211.02406	1.5
217.01389	0.7
235.02390	2.4
241.10789	0.9
273.00604	0.8
277.03503	1.1
285.03998	0.8
298.98444	0.9
300.99857	2.8
313.05670	0.8
321.02454	1.7
459.13010	1.8
493.31525	1.4
495.15585	1.2
647.16486	1.0
655.37482	1.1
665.17322	8.1
666.17371	1.3
817.18329	28.1
817.42157	8.9
818.18988	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	815.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88042	2.2
65.00188	3.0
68.66803	2.0
69.22942	1.9
71.01234	2.5
71.56647	4.1
88.46544	1.9
95.01244	4.0
96.95903	5.1
119.04887	3.1
123.00771	5.1
125.02300	9.5
133.02869	3.6
145.02821	8.3
147.04399	5.2
157.02893	2.5
159.52252	2.2
161.02341	4.8
163.00169	3.1
163.03900	4.6
169.01324	11.7
173.02336	7.0
175.03809	5.2
177.01849	4.3
185.02370	4.1
187.00261	2.2
189.01852	9.2
190.02498	2.9
191.03369	8.1
201.01865	8.0
203.03479	4.0
205.01389	2.6
217.01352	10.4
219.03079	3.7
229.01395	12.6
230.01862	2.9
231.02885	5.3
235.02446	4.0
245.00830	20.4
246.01788	3.1
247.02472	18.2
257.00958	5.8
259.02475	3.3
261.00363	3.9
270.98737	8.1
273.00439	25.4
274.00989	5.4
275.01920	18.7
283.02521	3.2
283.99750	3.7
285.00232	3.0
288.99982	4.8
291.01440	8.4
298.98294	9.7
299.99121	11.1
300.99875	100.0
302.00177	9.1
316.99432	3.9
434.32803	2.5
463.05014	4.4
528.14453	2.3
593.36499	2.7
613.04675	10.5
631.05505	5.5
632.06567	7.5
633.07184	58.0
634.07806	6.3
815.08881	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	815.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.5
68.37318	0.7
71.01258	3.3
73.02826	0.9
78.95770	1.8
81.03377	0.8
83.01242	1.1
83.04898	3.3
85.02843	1.1
88.98702	1.5
89.02321	2.6
96.95898	0.8
98.20540	2.0
98.94277	0.7
101.02315	2.0
104.53590	0.8
113.02328	0.9
133.84270	0.7
152.40973	0.8
161.04482	1.5
163.11162	3.1
165.12750	2.1
167.03680	0.7
171.10229	0.9
179.35249	0.7
209.11771	100.0
210.12132	4.7
227.12828	12.3
235.08197	3.8
253.09267	8.7
255.23201	1.6
276.76093	0.8
277.21719	75.3
278.22098	7.2
288.66516	0.8
411.18042	0.8
445.20694	3.3
531.46002	0.8
591.64746	0.8
722.13312	0.8
797.40912	1.0
817.98560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28331	0.4
63.14462	0.4
66.05766	0.4
71.08549	0.4
72.54545	0.4
73.78344	0.4
76.99365	0.4
95.01273	0.5
97.02795	0.5
98.20654	0.9
117.03349	1.0
121.02895	0.5
129.03415	0.6
133.02869	0.7
135.94139	0.5
145.02849	1.9
147.04379	0.7
149.02318	0.7
157.02824	0.6
161.02328	1.5
163.03905	1.1
169.01326	0.8
173.02350	1.9
175.03984	0.5
177.01741	0.6
185.02316	2.6
189.01830	1.7
190.02657	1.1
191.03381	1.4
201.01910	3.0
216.00648	0.8
217.01427	2.1
219.02831	0.6
221.00771	0.9
226.99780	0.8
229.01332	4.2
231.02921	0.6
242.99236	0.9
245.00951	4.0
246.01549	0.6
247.02361	0.9
257.00769	2.4
258.01703	0.4
261.00623	0.7
263.01962	1.8
270.98810	1.9
273.00421	4.1
274.00906	0.8
275.01968	4.2
277.03598	0.5
283.99619	2.1
288.99969	0.7
298.98459	2.8
299.99033	5.1
300.99875	100.0
302.00272	4.9
305.03085	0.6
321.02249	0.5
347.00369	1.2
348.49799	0.5
365.01660	0.7
365.44089	0.5
431.26343	0.5
451.04721	0.9
479.04584	3.0
505.06213	0.5
658.66498	0.4
769.06146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29102	1.2
66.29452	1.1
72.12251	1.3
83.23867	1.2
95.01273	5.2
98.19821	2.9
107.01295	2.2
117.03324	1.7
117.98087	1.1
123.00766	12.1
125.02321	11.6
133.02873	2.3
139.00279	2.1
145.02847	7.3
147.04411	2.4
157.02841	1.6
159.04408	1.6
161.02353	4.0
163.03844	3.0
165.01810	1.8
166.99744	4.9
169.01350	13.7
173.02339	6.6
175.03889	2.3
185.02397	2.9
187.03983	1.4
189.01880	8.9
190.02637	2.1
191.03404	5.0
193.70146	1.3
200.01051	1.7
201.01926	7.9
203.03387	3.8
205.01341	1.6
213.01837	1.8
214.99756	2.0
216.00494	1.8
217.01352	12.0
218.02087	1.8
219.02893	2.5
226.99770	1.9
227.03427	1.5
229.01392	11.6
230.02049	1.6
231.02974	6.1
235.02547	1.3
242.99341	3.6
244.00061	1.5
245.00894	17.6
246.01404	2.5
247.02473	8.7
257.00980	7.6
258.01651	2.0
258.98608	1.9
259.02435	2.9
261.00391	2.7
263.01877	2.1
270.98785	7.4
273.00418	27.5
274.01031	5.8
275.01941	20.8
276.99249	1.3
283.02585	2.2
283.99643	2.8
285.00345	1.6
287.02039	1.9
288.99805	1.7
291.01483	3.6
298.98410	8.0
299.99103	9.8
300.99890	100.0
302.00177	6.5
315.01581	2.5
316.99408	4.8
343.00793	1.5
445.04318	1.5
447.05704	1.5
463.05338	3.4
465.06726	2.1
595.03467	2.0
597.05322	20.5
598.05841	2.4
610.02826	1.3
613.04529	10.4
614.04749	1.8
615.06360	12.6
631.05853	4.6
632.06488	3.3
633.07306	54.0
634.07861	8.1
667.93994	1.6
765.05719	4.4
783.06696	1.9
815.09180	2.7
841.93011	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	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.8
62.04337	0.8
70.86363	2.6
71.16686	0.8
77.68330	1.1
79.95634	1.4
85.02864	1.3
93.03316	4.3
96.95878	3.5
107.01235	1.2
121.02854	6.8
122.03631	16.5
123.00716	2.1
125.02323	3.7
133.02838	1.4
135.04384	1.3
136.01537	4.1
137.02330	3.5
139.95726	0.9
145.02849	1.5
146.03682	1.0
149.02356	22.7
149.05956	1.6
150.03131	91.7
151.03931	10.0
162.02975	1.0
164.04692	5.1
165.01828	3.1
165.05482	100.0
166.02652	5.1
166.05801	3.8
169.01328	5.0
171.10118	1.1
177.05460	1.5
179.03375	1.1
179.07036	6.1
180.04164	7.4
181.05002	8.6
193.04976	2.2
195.06557	77.1
196.06894	3.4
200.03596	1.1
205.04944	1.8
219.06595	1.6
220.07503	1.4
225.07556	1.7
300.99811	2.8
327.21658	4.2
387.10318	1.1
387.14600	7.3
417.15518	8.2
442.51160	1.1
540.83667	1.1
565.20605	14.9
566.21118	1.3
595.21661	2.0
613.22894	3.6
657.21484	1.5
713.26660	1.1
761.28448	1.0
773.25635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74869	0.3
65.00183	0.3
75.76379	0.3
86.14108	0.3
89.03857	0.4
95.01258	0.4
98.20560	0.8
114.09476	0.3
115.01791	0.4
117.03334	1.3
119.04929	0.5
123.00735	0.5
126.37700	0.3
129.03333	1.1
133.02837	1.2
143.01366	0.5
145.02853	3.9
147.04408	1.3
155.01305	0.4
157.02867	1.3
159.00764	0.4
159.04361	0.6
160.01529	0.3
161.02376	3.1
163.00185	0.4
163.03888	2.1
171.00792	3.1
172.01579	0.8
173.02361	4.5
175.03922	1.1
177.01814	0.6
179.03358	0.6
185.02365	4.0
187.00270	1.3
188.01045	0.7
189.01863	3.4
190.02538	0.7
191.03433	2.1
199.00266	3.2
199.04013	0.5
200.01076	1.5
201.01851	8.1
203.03479	1.6
205.05043	0.4
213.01813	0.9
214.02264	0.3
214.99738	1.8
215.03381	0.6
217.01379	6.2
218.01913	0.4
219.02896	0.6
226.99831	5.2
228.00531	1.2
229.01357	9.9
230.01939	0.9
231.02895	1.7
233.00861	0.6
242.99232	2.9
243.03017	0.8
244.00142	0.7
245.00876	6.2
246.01379	0.6
247.02444	4.3
249.03909	0.8
254.99329	1.3
255.02834	0.3
257.00937	4.2
258.01514	0.8
258.98569	0.4
259.02405	0.8
259.99646	1.0
261.00412	1.5
269.00897	0.5
270.98834	7.2
271.02090	0.6
271.99506	1.1
273.00400	5.7
275.01990	3.5
283.99573	3.0
285.00351	0.9
285.15030	0.4
288.99661	0.4
298.98315	8.4
299.99081	6.2
300.99875	100.0
302.00211	6.0
303.01102	0.5
315.01630	0.8
316.99384	0.9
317.06195	0.4
331.01001	0.6
451.05429	0.5
461.03854	1.7
479.04645	1.2
483.81552	0.3
493.06158	1.4
763.04553	0.6
767.07397	0.7
777.05615	1.8
795.06830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24486	0.5
71.04267	1.0
72.29354	0.5
117.03348	0.8
129.03339	0.8
131.01294	0.5
132.02110	0.5
133.02800	1.2
143.01279	0.7
144.08385	0.5
145.02844	3.3
147.04416	0.6
157.02876	1.6
159.00810	1.0
161.02350	2.4
163.03886	1.8
171.00748	2.3
173.02377	3.3
174.03015	0.5
175.03931	1.0
177.01848	0.8
179.03302	0.5
185.02357	2.2
187.00243	0.7
189.01822	2.6
190.02693	0.5
191.03513	1.1
199.00293	1.6
200.01140	0.7
201.01904	5.0
203.03377	1.0
213.93184	0.5
214.99846	1.0
217.01306	3.7
226.99806	3.3
228.00476	1.0
229.01367	7.6
230.01881	0.6
231.02989	1.2
241.01541	0.6
242.99335	1.7
243.02959	0.6
245.00850	4.7
247.02322	2.7
254.99210	0.6
257.00998	2.7
261.00317	1.2
268.76440	0.5
270.98816	6.2
271.99445	0.6
273.00418	5.1
275.01880	2.6
283.99698	1.7
285.00226	0.6
291.01404	0.9
298.98325	7.5
299.99051	4.6
300.99878	100.0
302.00208	6.5
303.01157	0.5
315.01459	0.9
316.99466	1.1
331.01086	0.8
451.05359	1.4
461.03644	3.4
462.03915	0.6
479.04880	1.8
493.06110	2.6
585.99713	0.6
763.04681	0.7
767.08203	1.1
777.05847	3.0
785.08411	0.9
795.07361	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	809.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60971	0.6
59.01240	1.7
67.01751	1.0
69.03296	0.8
69.31578	6.7
71.01247	1.6
78.71501	0.7
79.01772	1.1
79.95591	1.0
81.03331	1.2
89.02307	0.7
95.01266	3.4
95.16975	0.6
96.95885	4.8
107.01254	3.5
109.02831	0.9
111.00748	3.4
116.92696	1.6
121.02827	1.8
123.00763	17.0
124.01550	1.9
125.02336	18.6
127.00280	0.8
130.82988	0.6
136.98665	1.1
137.02368	0.7
139.00237	3.9
139.03871	2.7
140.01053	3.2
141.01808	1.8
150.03218	1.0
151.00302	2.2
151.03909	0.8
153.01855	1.3
162.99994	0.7
165.01843	1.2
165.05463	0.9
166.99754	4.7
168.00533	3.8
168.92023	0.6
168.99930	1.4
169.01331	20.6
170.01706	1.0
172.45958	0.7
183.02895	7.4
195.02881	1.0
195.06509	1.0
197.04469	1.0
209.11760	3.1
227.12753	1.0
269.08044	1.0
275.01907	1.1
282.09140	0.9
299.09186	0.8
300.10086	1.0
300.99881	2.4
315.12241	4.6
327.12317	2.4
329.13977	0.9
332.09009	0.9
375.10928	2.7
435.11203	0.7
451.10162	3.1
465.11017	0.8
466.12634	6.2
467.12689	0.7
478.12576	7.0
479.12808	0.8
481.15021	36.3
482.15100	4.8
493.14972	16.7
494.15424	2.0
511.15961	7.7
517.96088	0.8
657.21844	100.0
658.11981	1.2
658.22180	12.1
809.22711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76948	0.6
59.01250	1.8
70.05077	2.4
71.01255	1.3
79.95602	1.1
84.38982	0.6
85.02826	1.2
86.50969	0.6
93.03321	4.8
95.01235	1.4
95.04883	0.9
96.95882	4.5
101.02361	0.6
105.03375	0.6
107.01263	0.8
107.04934	1.0
108.02029	1.1
109.02814	1.2
116.92742	1.2
121.02838	8.4
122.03621	17.0
123.00783	2.6
123.04392	1.1
125.02349	4.6
132.02058	0.8
133.02840	2.7
134.03583	3.2
135.04448	1.3
136.01555	7.0
136.05171	3.4
137.02351	5.0
138.03018	0.8
140.01016	0.9
145.02835	1.1
146.03638	1.3
149.02351	32.0
149.06013	4.0
150.03128	100.0
151.00282	2.5
151.03929	17.0
152.04596	1.8
153.01888	0.7
161.02299	1.2
161.06007	1.1
162.03148	1.3
163.03897	0.9
164.04703	6.0
165.01788	1.8
165.05484	93.8
165.09160	1.7
166.02625	5.2
166.05815	3.4
166.99768	0.9
167.03400	1.3
168.00519	1.0
169.01328	5.0
177.05518	2.8
179.03477	1.0
179.07031	8.8
179.27260	0.6
180.04210	6.0
181.04993	8.9
182.05354	0.6
193.05005	0.9
195.06560	48.4
196.06857	2.5
200.29996	0.6
205.04996	2.2
219.06516	1.7
220.07426	1.4
225.07585	1.1
229.98970	0.6
300.99799	2.0
313.05765	1.2
329.23166	0.8
373.12866	1.7
387.14850	3.3
403.13641	1.1
417.15469	9.5
449.32654	1.1
495.33295	2.5
535.16125	1.2
564.19867	1.7
565.20789	18.6
566.21185	1.9
595.21869	3.0
613.22742	4.8
619.22400	1.2
657.38605	1.9
713.26013	8.8
714.27319	1.2
743.26782	2.8
744.27197	1.0
752.84174	1.0
761.28143	2.1
809.41534	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	807.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86508	92.9
82.91296	18.4
93.81010	18.3
96.70844	16.2
96.95883	21.8
125.02318	26.3
131.03372	29.9
131.06990	26.2
139.18956	17.5
145.70882	18.4
169.01237	21.7
170.04021	20.1
209.11757	100.0
253.09097	28.6
293.21286	63.5
300.99561	31.0
305.35727	17.8
309.20804	18.3
807.43927	41.3
821.37921	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.2
71.56545	1.2
78.32998	0.7
78.95772	4.3
79.21037	0.6
80.65652	0.6
90.26826	0.7
96.95892	0.9
101.02291	0.7
101.65103	0.7
130.37273	0.6
147.63493	0.6
148.08841	0.8
150.10385	0.8
152.99478	1.7
155.26271	0.7
155.62378	0.6
163.11073	1.0
165.12750	21.0
166.13118	1.6
169.01294	1.5
198.67549	0.6
209.11737	1.3
242.07928	2.0
247.20610	11.5
248.20923	0.8
266.30286	0.7
273.18573	5.3
277.21698	65.7
278.22006	4.9
291.19644	100.0
292.19995	7.9
292.22977	1.1
293.21133	0.9
300.99908	0.8
502.29410	29.8
503.29510	2.9
607.16803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02276	6.4
65.00189	11.7
83.01264	3.8
95.01237	6.5
107.01262	19.7
107.62511	2.5
109.02796	4.2
111.00771	14.7
123.00770	16.5
125.02334	26.3
125.54170	2.8
131.04921	3.5
137.02353	11.2
139.00269	28.3
139.49397	2.8
140.01082	2.7
141.01851	3.1
145.02870	4.9
147.04402	4.7
149.02261	3.0
151.00264	58.0
153.01906	16.5
154.99763	15.5
159.04439	6.7
163.00322	8.0
164.98201	3.3
165.01857	9.0
166.99767	23.1
167.03337	3.0
168.00447	3.3
169.01384	24.7
177.99059	4.3
178.99785	86.3
180.00255	3.9
185.00754	3.1
187.03880	7.4
189.01927	3.9
190.99768	5.1
191.03423	3.9
192.00705	2.8
193.01341	21.7
194.99290	25.6
195.99579	3.1
197.00841	6.5
201.01810	4.7
203.03487	17.2
204.40187	3.1
205.01405	4.0
206.99203	4.3
209.00856	10.4
211.02397	6.6
213.01894	5.9
215.03426	5.2
217.01503	2.8
219.02937	3.5
221.00716	3.6
222.98814	8.0
229.01509	5.6
231.03006	14.5
233.00768	4.0
233.04530	4.3
237.00304	4.9
241.01419	4.1
243.03035	9.3
245.00818	4.1
259.02438	28.3
261.03992	4.0
271.02496	12.1
273.00494	3.8
275.02017	6.8
287.01987	47.8
288.02536	11.4
303.01486	17.1
305.02951	9.2
312.99905	11.6
315.01471	100.0
316.02170	29.6
317.03024	37.0
331.00937	82.1
331.04767	5.3
332.01718	17.4
333.02460	43.4
348.01181	3.6
349.01981	64.5
475.11105	3.9
477.12695	8.0
625.13733	5.3
639.11578	3.3
641.13776	14.6
721.14960	3.9
809.13733	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	803.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38523	0.8
59.01247	3.4
61.98706	7.3
69.30672	6.3
71.01235	2.6
79.95609	42.8
80.96394	64.1
83.04888	1.7
85.02789	0.7
88.17579	0.7
89.02313	1.2
95.95097	1.5
96.95891	47.4
98.20490	1.5
99.00716	0.8
101.02312	2.4
109.06474	3.9
113.02312	1.2
138.33354	0.7
145.65601	0.7
161.04425	1.0
163.11165	2.7
165.12756	0.9
199.09796	1.4
207.10188	5.4
208.10339	0.9
209.11783	24.4
210.12132	1.5
225.11282	4.3
227.12828	1.5
253.09200	0.9
277.21701	18.8
278.22061	1.4
307.08563	1.4
328.21313	0.8
390.15366	0.8
439.48532	0.8
626.11188	0.9
641.34094	1.0
803.38910	100.0
804.39355	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
58.00465	0.1
59.01247	2.8
61.98713	0.3
69.03333	0.3
71.01250	2.4
72.63053	0.1
73.02826	0.4
78.95792	0.2
80.96394	0.4
85.02824	0.7
87.00758	0.4
89.02307	1.9
91.03912	0.1
95.01258	0.2
95.04917	0.2
96.95867	0.2
97.02781	0.2
97.06482	0.2
98.20650	0.2
99.00760	0.2
101.02307	2.6
111.08056	0.3
112.93601	0.2
113.02325	1.3
113.09602	0.4
119.03391	0.7
121.10100	0.3
125.02392	0.1
131.03371	0.1
137.09583	0.1
141.09131	0.2
143.03404	0.3
145.04958	0.1
152.99489	0.2
161.04462	1.3
167.10675	0.3
169.12238	0.2
171.10194	1.2
177.12779	0.2
177.16449	0.2
179.05563	0.5
179.10695	0.2
179.14342	0.8
195.13831	8.3
196.14319	0.8
205.12256	0.6
205.15799	0.5
209.11823	0.2
211.13332	0.5
211.81989	0.1
223.13332	5.9
224.13757	0.4
225.14938	0.1
228.13687	0.7
231.20990	0.5
235.08176	0.8
249.22166	0.2
253.09251	16.6
254.09587	0.6
256.13187	1.0
265.21756	0.3
275.20151	6.7
276.20428	0.6
277.21628	0.3
284.05353	0.1
291.19620	0.1
293.21201	100.0
294.21533	7.8
309.20718	0.2
310.82562	0.1
492.22125	0.6
529.30133	0.9
530.30292	0.1
569.42139	1.1
570.42365	0.3
805.41748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11910	1.0
60.76343	1.0
65.00203	1.4
66.78598	0.9
67.01762	1.7
69.03333	2.6
70.00495	4.0
71.01270	1.5
79.01772	1.0
82.65619	0.9
83.01250	3.8
95.01257	7.2
97.02805	1.6
98.19873	1.5
102.73183	0.9
107.01237	2.2
109.02864	1.6
111.00761	3.5
115.00288	1.2
123.00792	3.4
125.02334	69.6
126.02668	1.6
135.00879	1.0
135.06184	0.9
137.02357	6.4
139.00287	5.9
145.02844	3.0
147.04416	2.4
154.99811	2.4
157.01231	1.8
157.02905	1.6
159.04463	1.5
161.02371	2.6
163.00250	12.4
163.03932	1.7
164.00868	2.1
164.98158	3.0
165.01863	6.8
165.03047	1.0
166.99776	1.9
168.00508	1.1
169.01334	100.0
170.01649	2.7
173.02341	2.4
175.03983	0.9
177.01788	2.0
178.99733	2.1
183.32860	1.0
185.02344	3.1
186.61000	1.0
189.01862	3.2
190.99786	8.2
191.03462	1.2
193.01248	2.4
201.01872	4.6
203.03464	2.4
206.99258	3.0
208.00040	3.7
209.00861	23.2
213.01788	1.4
216.00655	1.3
217.01355	4.6
221.00868	1.5
226.99838	1.8
229.01477	6.1
231.02985	2.2
233.98021	1.3
241.01520	1.1
243.02933	1.9
245.00879	9.8
251.01996	2.0
257.00900	4.3
259.02390	1.3
264.99805	1.2
269.00647	1.2
270.98770	1.6
273.00342	11.3
274.01013	2.4
275.02011	9.2
283.99603	3.2
285.00653	1.8
287.01846	2.2
288.99832	1.2
298.98309	2.9
299.99106	20.9
300.99875	97.9
302.00211	7.4
312.99866	1.9
315.01434	4.3
331.06693	2.3
335.03979	2.9
336.73166	1.2
343.00928	5.7
353.05099	11.2
354.05408	1.1
405.04770	1.3
436.05185	1.1
437.07138	1.3
443.02628	1.2
445.04077	4.0
447.05750	6.0
461.03485	6.2
463.05151	68.3
464.05521	9.5
475.05106	17.6
476.05411	1.5
491.04678	2.4
493.06091	3.7
501.03073	3.9
505.06305	3.0
519.04254	1.6
523.07220	7.8
575.06360	1.2
613.04224	2.9
631.06207	2.5
633.07330	6.7
645.07733	1.9
661.06348	1.3
671.05280	3.3
672.06201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99447	1.9
59.01231	4.8
63.82373	1.4
71.01267	3.1
73.02780	1.5
78.95778	2.9
79.95605	20.2
80.96388	11.9
94.02316	1.5
95.01295	1.9
96.95883	45.2
96.96822	2.8
98.95470	1.6
101.02280	3.5
112.93612	100.0
123.00777	3.6
125.02316	6.9
163.11255	1.9
166.99759	2.0
169.01341	8.6
171.10217	1.5
183.13701	2.2
209.11768	24.0
211.13326	28.8
212.13660	2.6
227.12837	1.8
253.09178	3.0
261.79388	2.0
273.00418	2.1
298.98517	1.8
300.99811	5.8
399.16827	1.9
535.42145	1.5
549.44543	1.7
803.31860	76.8
804.32367	13.8
823.85059	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	803.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.5
61.98699	38.4
65.17802	0.5
70.31405	1.0
70.31787	2.0
71.01249	3.9
73.02807	0.6
75.86142	0.5
79.95108	0.8
79.95602	51.1
80.96387	75.6
81.03307	0.7
83.04890	2.2
85.02812	0.9
86.58873	0.4
87.00756	0.8
89.02312	1.4
94.97970	0.5
95.95103	4.4
96.95883	62.2
97.02826	0.7
101.02321	2.8
109.06504	2.4
113.02309	1.2
125.09602	0.6
138.96895	0.5
146.76228	0.5
161.04466	0.6
163.11194	2.1
165.12836	0.7
171.10149	0.7
179.10771	0.6
199.09666	0.7
207.10231	5.3
209.11775	16.4
210.12126	0.7
225.11234	2.1
226.05637	0.5
227.12813	1.1
235.08365	0.6
241.00084	0.5
247.09418	3.2
253.09216	1.3
277.21701	29.3
278.22064	2.7
307.08719	0.7
355.44275	0.6
363.11398	0.6
384.35385	0.6
431.60397	0.6
483.18701	0.8
525.16602	1.1
589.21661	0.5
803.38885	100.0
804.39142	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	801.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	0.7
67.01749	1.2
71.01237	1.2
71.32378	1.3
79.01752	0.8
85.02819	0.7
89.03868	0.6
95.01269	3.6
97.02846	1.0
107.01267	3.0
109.02843	1.3
111.00754	3.9
113.02326	1.1
117.03324	1.9
119.04916	2.0
121.02897	0.8
123.00769	9.8
124.01543	0.9
125.01423	1.5
125.02341	20.5
129.03400	1.0
130.22156	0.6
133.02846	3.0
135.04376	1.2
137.02325	1.5
139.00275	4.0
140.01076	1.5
145.02844	9.1
147.04430	3.3
149.02368	1.7
151.00235	1.4
157.02835	0.7
159.00876	0.8
159.04390	1.0
161.02379	6.4
163.00252	1.5
163.03879	3.8
165.01762	1.0
165.05428	0.7
166.99791	3.6
168.00571	1.4
169.01340	22.6
170.01668	1.0
171.00778	1.0
173.02333	9.0
174.02968	1.3
175.03935	2.9
177.01811	2.1
179.03465	0.8
182.99217	2.1
185.02365	1.5
187.00264	1.6
187.03888	0.9
189.01881	10.4
190.02625	3.6
191.03424	9.8
193.01418	1.4
199.00304	1.1
201.01839	7.2
202.99583	0.9
203.03424	4.5
205.01433	1.5
207.02937	0.8
214.99800	2.1
216.00513	1.8
217.01373	15.0
218.02025	1.6
219.02916	5.6
221.04443	1.2
226.99860	1.1
227.03416	1.0
228.00615	1.0
229.01421	6.3
231.02954	2.5
233.01073	0.8
235.02419	1.6
242.99370	4.9
244.00143	2.6
245.00887	37.8
246.01462	3.3
247.02438	24.3
248.02893	2.2
249.04002	2.4
257.00955	2.7
261.00433	4.4
263.02005	0.8
269.04700	0.9
270.98810	16.7
271.99207	1.9
273.00394	100.0
274.00818	8.2
275.01971	13.8
284.22015	0.7
288.99963	1.0
291.01416	5.0
295.04761	1.5
298.98325	26.9
299.98990	7.1
300.99887	44.8
302.00266	2.7
304.87997	0.7
313.05609	2.5
316.99371	41.6
317.99701	3.2
343.00922	1.0
401.05304	1.1
417.04355	1.7
419.06152	1.6
445.04178	1.3
449.24936	0.8
463.05121	1.9
465.06702	6.5
595.03790	0.8
597.05371	3.9
610.67230	0.7
613.04913	2.9
615.06342	11.4
616.06708	2.0
617.08105	0.9
633.07190	4.0
635.08551	2.0
765.05481	1.6
782.92865	1.2
783.06799	9.8
784.07001	2.2
801.07800	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	803.314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55354	0.8
58.00467	0.9
58.99480	2.3
59.01246	20.1
61.72669	0.7
67.01769	1.0
70.44449	3.0
71.01249	12.3
72.99181	2.1
73.02837	1.4
74.98972	2.3
78.95822	0.7
79.95593	8.2
80.04935	2.2
80.96386	4.0
85.02836	2.3
87.00742	0.8
89.02319	6.4
95.01266	2.6
96.95889	13.0
101.02325	7.4
106.06506	3.6
112.93613	7.2
113.02295	3.9
116.92743	0.9
119.03385	2.7
120.08106	1.2
122.06010	7.8
123.00755	1.1
125.02352	3.2
132.04453	2.2
134.06009	22.3
135.06392	0.9
138.95189	10.6
140.94791	2.2
152.07076	3.1
157.46956	0.9
158.02414	0.8
160.06339	3.4
169.01379	4.7
174.05540	0.9
190.05020	2.4
193.42966	0.8
209.11832	3.7
211.08672	1.0
211.13290	1.8
213.10274	17.2
223.08894	0.9
224.09666	1.0
225.10385	1.3
226.11015	1.6
235.08545	1.0
237.10260	1.0
239.11908	8.2
241.13379	7.6
251.11891	2.1
253.09273	1.1
265.09778	1.9
267.11371	1.7
285.12421	21.3
285.15375	1.4
286.12732	1.3
293.12845	1.2
298.98233	1.0
300.99878	2.5
305.09320	2.2
307.10815	1.1
314.12985	1.1
316.14609	1.1
327.21716	1.1
328.10922	3.1
337.11969	1.5
338.38373	0.8
340.14468	1.2
342.12360	2.0
342.16049	1.0
343.12891	1.5
344.14093	1.3
355.13553	0.9
356.13995	2.1
357.14749	1.4
358.15460	6.2
359.16333	1.4
368.14130	1.6
370.11688	1.1
370.15756	1.2
372.17361	1.5
381.10986	1.0
382.11713	1.1
384.13434	4.5
384.17743	1.2
385.13745	1.4
396.13519	1.7
397.14163	2.3
398.15015	4.2
399.15759	1.1
400.16693	7.2
401.17120	1.2
410.15350	1.4
412.16718	5.5
426.14551	1.4
436.23361	0.9
444.15695	1.5
505.22421	1.3
517.18201	1.6
591.22955	0.9
609.23834	1.1
685.28375	1.5
699.28540	1.2
727.30078	5.8
730.29028	0.9
743.29742	1.7
753.27106	1.3
771.28772	100.0
772.29004	17.5
803.31226	22.2
803.44714	1.7
804.32104	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	799.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82798	0.3
61.99885	0.3
66.95056	0.3
70.15941	1.4
73.32590	0.3
76.21896	0.3
77.36024	0.2
95.01218	0.3
117.03310	0.7
119.04903	0.4
121.04967	0.3
123.00774	0.4
125.02319	0.5
133.02846	1.1
133.37112	0.3
135.04361	0.4
137.02348	0.4
145.02856	3.4
147.04407	1.3
157.02843	1.2
159.04411	0.6
159.86504	0.3
161.02399	2.0
162.02908	0.3
163.00305	0.3
163.03871	1.4
165.01952	0.5
168.30525	0.3
172.01547	0.4
173.02373	3.6
174.02948	0.4
175.03958	1.5
177.01820	0.6
185.02350	2.2
187.00305	0.4
187.03937	0.3
189.01851	3.3
189.05424	0.3
190.02658	1.0
191.03448	3.4
200.01138	0.5
201.01854	3.5
202.02190	0.3
203.03383	2.2
205.01370	0.6
209.00786	0.4
213.01903	0.6
214.02573	0.3
214.99872	0.5
215.03558	0.3
216.00546	0.7
217.01389	3.6
219.02957	1.7
221.00836	0.5
226.99800	0.6
228.00426	0.4
229.01396	5.6
230.01958	0.5
231.02992	1.1
233.04672	0.3
242.99286	0.9
243.02998	0.6
243.99991	0.8
245.00902	7.4
246.01379	0.7
247.02441	8.5
248.02960	0.6
249.03996	1.0
251.01863	0.4
254.99141	0.4
257.00961	3.1
258.01599	1.0
259.02390	0.6
261.00299	0.6
263.02026	0.4
270.98737	2.9
271.99481	0.5
273.00415	16.2
274.00854	1.4
275.01953	15.5
275.05075	0.4
276.02197	1.1
283.99625	1.9
287.02084	0.4
291.01425	2.2
298.98325	6.9
299.01602	0.3
299.99088	6.5
300.99884	100.0
302.00241	7.5
313.00061	0.7
315.01523	0.9
316.99408	1.2
319.00870	1.1
333.02319	0.7
340.99329	0.9
435.05386	1.8
449.69516	0.3
451.05286	2.2
453.06882	1.1
461.03586	1.1
463.05319	0.7
464.05591	0.3
479.04578	9.0
480.05252	0.7
781.04590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.4
69.03342	0.4
70.91117	0.9
71.01238	1.5
73.02805	0.4
83.01278	0.3
85.02850	0.6
87.00764	0.5
89.02296	1.8
100.30910	0.2
101.02325	1.6
113.02329	0.9
119.03390	0.3
157.95441	0.3
161.04491	0.8
167.10506	0.3
167.14403	0.4
179.05444	0.4
183.13829	6.5
192.72987	0.4
193.12289	1.2
211.13335	100.0
212.13696	4.6
235.08154	2.3
247.22624	0.3
253.06674	0.4
253.09258	6.5
277.21713	57.8
278.22043	5.4
310.95135	0.3
330.49973	0.3
343.25089	0.3
389.34305	0.3
429.21350	1.6
447.22327	9.2
448.22681	0.7
470.00137	0.3
504.85675	0.3
513.30585	0.4
707.43817	0.6
776.38452	0.3
789.45038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44716	0.5
59.01252	0.9
65.00195	0.8
71.01249	1.2
71.56443	1.0
75.83510	0.5
78.95770	0.5
79.95617	0.6
93.03304	0.9
95.01269	1.3
96.95890	5.3
105.03334	1.0
107.01279	0.9
112.93635	0.6
117.03377	2.6
119.01339	0.6
119.04911	3.0
121.02854	1.5
123.00764	2.4
123.04417	0.6
125.02315	3.2
129.03407	1.0
130.00525	1.0
131.04893	0.9
132.02066	1.6
133.02841	2.6
135.00858	0.6
135.04424	5.7
143.01250	1.0
145.02858	6.3
146.03644	0.8
147.00774	0.7
147.04419	4.4
148.01575	1.9
148.04799	0.8
149.02339	3.5
151.00288	0.8
151.03938	0.7
157.02827	0.8
158.03673	1.3
159.00760	1.3
159.04424	2.5
160.01564	2.4
161.02332	5.3
162.03134	0.8
163.00330	0.6
163.03922	13.2
165.01817	0.9
166.99760	1.4
169.01323	3.7
171.00771	1.4
173.02347	4.0
174.03064	2.7
175.03941	5.4
176.01114	0.8
177.01883	1.7
185.02399	0.7
185.99519	1.7
187.00294	1.8
188.01053	1.1
189.01839	6.0
190.02629	4.4
191.03448	3.6
193.01251	0.6
200.01042	0.7
201.01848	3.9
202.02609	0.6
202.99796	1.6
203.03453	2.5
204.00594	2.3
205.01349	4.4
206.02115	0.8
214.99786	3.0
216.00581	6.7
216.97900	0.7
217.01367	6.5
218.02022	1.6
219.02972	5.9
229.01360	1.9
229.98552	3.1
230.01956	0.7
230.99342	1.6
232.00146	1.6
233.00917	2.8
234.01701	0.7
242.99338	2.5
243.99979	2.7
245.00885	10.1
246.01654	6.4
247.02460	82.6
248.02832	5.6
249.04071	0.7
258.98853	7.4
259.99545	1.9
261.00439	1.7
270.98825	1.4
271.99503	0.7
273.00424	14.6
274.00974	1.4
275.01956	2.7
276.02777	3.1
277.03506	6.7
286.98624	0.6
288.99786	1.2
290.00433	1.0
291.01468	100.0
292.01810	6.1
293.03195	0.7
299.99121	0.9
301.00073	4.0
301.03256	0.9
302.00656	4.7
303.01456	7.4
319.00870	1.6
320.01657	4.2
321.02457	4.3
322.02594	0.7
345.99600	6.5
347.00446	11.1
364.00742	1.6
365.01410	5.8
369.02408	1.1
429.04404	0.8
461.07571	0.8
463.93005	0.7
473.03409	1.5
491.04721	6.5
505.06253	56.2
506.06528	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	799.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55620	0.5
79.41391	0.5
81.08760	0.4
117.03358	0.8
119.04874	0.8
121.72064	0.5
121.96504	0.5
123.00776	0.7
133.02832	1.3
135.04410	0.5
145.02831	3.2
147.04381	1.4
149.02260	0.8
157.02797	0.5
161.02332	2.4
163.03889	1.7
171.00819	1.4
173.02313	3.0
175.00291	0.5
175.03894	1.8
179.03435	1.0
185.02327	1.4
187.00275	1.0
187.03915	0.6
189.01845	3.5
190.02620	0.8
191.03384	2.4
199.00276	1.1
200.01033	1.0
201.01845	5.1
203.03429	1.5
214.99695	0.9
216.00523	0.6
217.01346	6.2
219.02989	1.4
226.99802	2.8
228.00407	0.8
229.01350	6.8
231.02913	1.3
235.02473	0.6
242.99297	1.5
243.03027	0.7
245.00885	10.6
246.01321	0.7
247.02437	7.5
248.02989	0.7
249.04013	1.8
254.99249	0.7
257.00830	2.6
258.01584	0.6
259.02289	0.6
259.99783	0.4
261.00452	1.4
263.02002	0.9
270.98840	6.9
271.99341	1.1
273.00391	18.5
274.00854	1.6
275.01938	8.2
276.02267	0.9
283.99585	1.4
287.01822	0.6
288.99826	0.8
291.01456	2.6
298.98291	11.3
299.99017	4.4
300.99869	100.0
302.00195	7.4
315.01553	0.5
316.99365	4.8
319.00970	1.0
331.00922	1.0
451.05072	1.1
461.03485	3.3
479.04709	4.7
480.04572	0.6
552.51178	0.7
761.50726	0.6
763.04120	1.7
781.04889	1.4
796.57172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54684	0.1
59.01254	1.1
61.95530	0.1
61.98706	0.3
71.01257	0.3
71.56886	0.2
73.02818	3.4
75.00751	1.4
87.00762	0.3
90.93246	0.2
91.45818	0.2
92.92770	0.8
93.89904	0.1
99.00760	2.2
99.57549	0.1
99.92461	10.0
100.92468	0.3
105.78809	0.1
108.92274	0.2
114.93309	0.6
115.00269	0.2
116.03425	0.6
116.92745	100.0
116.97124	8.1
117.01822	6.8
117.05479	0.7
117.92748	4.7
121.26614	0.1
130.19183	0.1
152.46407	0.1
201.71030	0.1
253.09233	0.2
277.21756	0.3
278.22092	0.2
293.21201	0.3
306.73361	0.2
309.89438	0.2
335.17517	0.7
397.13486	0.3
415.14322	0.2
455.05075	0.8
638.01727	0.1
733.28229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68123	2.8
59.01252	14.1
71.01258	27.7
71.55840	2.9
71.56237	3.4
79.95603	3.1
80.96361	3.2
86.69049	2.4
89.02312	7.3
99.00758	5.4
101.02305	5.1
109.06467	6.3
113.02249	2.8
115.44714	2.6
125.09615	4.1
131.97981	2.8
163.58646	2.5
171.10188	44.3
172.10417	3.3
179.05502	4.5
181.08595	4.4
181.12286	4.4
192.53104	2.7
199.08278	2.7
199.09763	32.0
199.13351	4.2
201.11249	47.2
202.11588	3.0
207.10201	19.9
213.11179	2.7
223.09734	3.8
223.18274	3.1
224.80397	2.8
225.11256	36.4
235.08270	5.1
243.12306	3.4
253.09286	22.5
277.21710	100.0
278.21964	9.5
357.46359	2.7
364.50732	2.8
417.79520	3.0
435.18759	5.4
443.19208	3.5
461.20190	10.4
493.67078	2.8
497.22202	4.4
634.22919	3.2
695.39905	8.0
721.41309	8.2
739.42749	5.7
757.44049	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	795.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92389	0.5
59.01249	100.0
63.57053	0.7
71.01270	2.3
73.02819	0.8
85.02822	0.8
89.02347	1.7
96.95884	1.1
97.02863	1.0
98.19711	1.7
99.00762	0.9
101.02345	1.8
110.21817	0.6
113.02337	1.5
119.03429	0.8
125.02380	0.9
141.01588	60.3
142.01874	1.0
143.03503	0.6
161.04570	0.8
171.10181	0.9
201.11433	0.8
230.06587	0.7
235.08281	1.4
255.23285	6.4
277.21796	2.2
300.99963	1.1
337.23572	4.5
397.13464	9.2
398.14078	0.8
415.14722	1.8
419.11707	3.2
437.12750	3.3
438.13168	0.7
514.71002	0.7
613.05359	0.6
653.38702	1.4
662.83881	0.7
675.36151	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	793.295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
64.12129	0.2
70.14023	0.7
71.01250	0.2
73.02818	2.0
75.00747	0.6
88.12786	0.2
89.02329	0.2
89.81040	0.2
92.92806	0.2
98.80376	0.2
99.00768	1.4
99.92455	9.7
100.92471	0.4
101.83623	0.2
114.93306	0.3
116.03426	0.4
116.92741	100.0
116.97125	15.6
117.01815	4.0
117.05433	0.2
117.92745	4.3
135.42783	0.2
169.01268	0.2
173.59520	0.2
232.62901	0.1
266.60062	0.2
277.21634	0.3
293.21194	0.2
335.17615	1.7
397.13428	0.3
455.04932	0.4
473.10733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98681	10.4
71.19069	22.0
73.67017	8.3
80.96382	9.9
195.16502	13.3
209.11766	100.0
226.44583	9.0
227.12764	12.4
253.09341	11.7
277.21713	91.2
413.92984	9.6
791.43976	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73861	25.3
74.04156	25.9
78.95765	38.0
79.95580	41.1
80.96373	28.7
96.95897	39.1
102.59868	29.5
113.93004	29.8
142.50114	27.0
211.13373	89.7
215.87157	27.3
222.17754	25.1
229.32286	45.6
293.21231	64.4
447.22928	28.6
490.75241	29.3
791.43408	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	793.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	1.9
64.81487	0.3
65.00187	2.1
67.01768	0.4
68.49222	0.2
81.03319	0.3
83.01251	1.7
95.01257	1.5
98.20538	0.7
99.00725	0.4
107.01264	4.6
108.01550	0.3
109.02827	2.8
109.99982	1.1
111.00760	4.9
121.02845	0.3
123.00745	2.3
124.01562	0.7
124.98735	0.3
125.02340	5.4
135.00739	0.3
136.98730	0.8
137.02336	8.2
138.02663	0.3
139.00269	13.3
139.03888	0.4
140.00757	0.4
140.36035	0.2
141.01822	0.5
143.04922	0.6
145.02910	0.4
147.04372	0.3
149.02357	0.7
151.00269	14.0
152.00882	1.0
153.00633	0.5
153.01834	7.4
155.03366	0.5
159.04417	0.5
161.02312	0.3
163.00284	0.9
164.01056	0.6
164.98224	0.6
165.01854	2.2
165.98962	1.5
166.99762	12.5
167.03407	0.9
168.00296	0.3
169.01334	3.8
169.02780	0.4
170.01875	0.3
171.04437	0.6
175.00285	0.9
175.03931	0.5
177.01842	0.7
178.99777	20.1
180.00337	1.7
185.00803	0.4
187.03909	0.9
189.01790	0.7
190.99765	0.9
191.03448	0.9
192.00516	0.4
193.01334	4.3
194.99280	7.2
199.03903	0.8
201.01863	0.8
203.03426	3.1
205.01408	0.5
206.99193	0.5
208.00020	1.6
209.00787	0.4
211.02452	0.3
213.01901	0.5
214.02707	0.5
215.03445	2.5
216.03952	0.3
217.01387	0.6
217.04980	0.5
219.02939	1.1
227.03433	0.9
229.01257	0.4
231.03062	1.2
233.00790	0.3
241.01331	0.3
242.02151	0.7
243.02963	2.2
245.00925	0.4
245.04483	0.5
247.02428	0.5
259.02451	3.7
260.02863	0.7
261.00577	0.3
261.03931	0.9
269.00952	0.3
270.01764	0.4
271.02420	5.4
272.02829	0.6
275.01865	0.4
287.01968	8.2
288.02319	1.1
289.03455	1.9
299.01877	0.4
303.01505	0.5
313.05566	0.3
315.01453	21.8
316.02161	9.5
317.02982	16.8
318.03378	1.2
331.00854	0.9
332.01648	5.8
333.02490	100.0
334.02780	6.2
459.11380	0.7
475.10962	0.3
477.11768	0.5
478.06519	0.3
625.14001	8.3
626.14398	1.0
641.14001	1.3
775.13068	0.3
793.14661	4.3
794.15601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05119	4.3
61.98698	5.6
68.99439	100.0
69.03316	7.7
70.13988	20.1
70.69391	4.9
71.01249	39.0
72.99191	8.4
74.95271	8.5
87.92414	14.3
93.73325	4.4
96.95880	6.5
99.00750	7.4
103.91908	68.4
104.92689	60.3
105.93434	4.9
106.94247	10.9
107.82412	4.7
111.00761	5.4
112.00327	4.6
112.98460	96.6
112.99788	14.7
113.02322	55.4
113.03481	7.5
114.94770	42.9
117.70657	4.7
118.94238	7.2
123.94527	12.2
128.96307	6.7
130.94241	16.8
132.95810	6.0
140.96359	12.1
142.94266	18.5
147.94604	4.7
156.95802	13.4
158.93768	21.9
168.95869	5.7
171.94543	12.2
172.95296	21.7
180.95747	4.5
184.95348	26.5
198.96890	11.2
199.93979	5.4
200.94870	10.6
232.97546	7.3
277.21622	10.7
283.04358	4.6
304.99359	7.3
306.00488	4.3
307.01331	6.6
336.98618	9.5
377.01581	10.6
409.00797	27.9
451.05460	29.3
469.06546	43.8
483.04492	96.8
501.05267	18.2
729.28015	94.2
730.28027	19.1
789.31055	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	791.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.0
61.42340	0.8
61.98685	0.8
69.75291	5.0
77.88416	0.8
79.95611	1.4
80.66099	1.1
93.03331	3.0
95.01220	1.3
96.95882	4.2
121.02821	3.5
122.03619	11.0
123.00806	1.8
123.04410	1.0
125.02336	3.1
132.02087	1.4
133.02794	2.1
136.01530	1.8
137.02258	1.2
149.02348	31.0
149.97038	0.9
150.03131	83.8
151.03514	3.3
164.04720	11.0
165.01802	3.3
165.05481	100.0
166.05772	4.6
166.99733	1.3
169.01303	5.3
179.06984	1.0
180.04210	7.0
181.04770	0.9
195.06555	56.9
196.06841	2.4
223.09738	1.0
225.07651	1.6
245.01016	1.7
270.08936	1.3
275.02112	1.2
283.09711	1.8
284.06790	1.3
285.11450	1.8
298.08633	1.6
299.09381	2.2
299.98969	1.4
300.99893	4.0
311.08997	1.1
313.10803	1.5
314.07983	1.8
326.07883	0.9
326.11438	1.2
327.12274	4.1
328.13126	6.3
329.10172	7.4
330.10959	2.4
341.10291	11.3
341.14066	1.1
342.10297	1.3
343.15594	4.4
344.12515	11.9
345.13272	1.9
356.12845	5.3
359.10550	1.9
359.14972	28.8
360.15372	2.3
371.14874	21.2
372.15094	1.9
389.16003	3.3
396.85693	0.9
408.51151	0.9
443.56149	1.1
463.17480	1.3
492.18082	3.1
507.20093	7.8
508.20853	1.6
522.18408	1.4
537.21307	50.6
538.21661	9.5
585.23407	92.6
586.23682	17.2
703.85321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	31.3
61.98690	0.9
70.04362	1.2
70.04716	2.8
71.01264	0.8
78.95808	0.6
93.03348	2.6
95.01282	1.0
96.95882	2.4
98.20457	0.9
101.76909	0.6
121.02862	4.3
122.03635	9.9
123.00760	1.3
125.02321	1.8
133.02818	1.3
134.03551	0.8
136.01556	1.7
139.00279	0.6
145.02817	0.8
149.02348	32.0
150.03128	82.1
151.03461	3.6
155.37891	0.6
160.01584	1.3
161.02325	0.8
163.03874	0.9
164.04695	9.6
165.01842	1.7
165.05482	100.0
166.05766	4.7
166.99815	1.1
168.60187	0.6
169.01251	3.6
179.07082	1.1
180.04214	8.1
184.32732	0.6
195.06558	62.0
196.06926	3.5
223.09691	0.7
225.07544	1.1
226.06299	0.9
226.08487	1.0
238.29434	0.7
270.09030	1.8
282.09033	0.9
283.09726	1.7
285.11328	1.8
298.98141	0.8
299.09180	2.3
299.12677	1.3
299.99280	0.8
300.02859	0.8
300.99869	2.8
301.10724	1.4
311.09393	1.5
313.10693	0.9
314.07959	1.9
325.10672	1.7
326.07983	1.6
326.11557	1.4
327.12271	3.1
328.13123	6.9
329.10229	7.3
330.10925	1.3
339.12659	1.0
341.10281	8.0
341.13791	1.1
342.10718	1.5
343.15524	3.6
344.12531	11.4
344.16260	1.2
345.13260	2.2
356.12613	6.2
359.14975	27.5
360.15372	2.8
371.14966	19.5
372.15359	2.6
389.16034	3.6
461.16083	1.5
463.17978	1.1
492.17764	2.6
507.20187	8.4
508.20334	1.1
519.20245	1.0
537.21277	52.3
538.21667	8.1
567.22339	1.9
585.23346	91.1
586.23773	18.1
631.16803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.0
63.02048	0.8
67.01768	1.3
70.20095	0.8
71.01264	1.4
71.12018	1.5
78.95760	1.2
79.95615	1.6
80.96385	1.6
85.02805	1.1
95.01275	1.1
96.95918	5.1
109.02831	4.7
111.00678	0.9
112.93713	0.9
113.02333	1.0
121.02880	1.7
123.00752	3.4
123.04465	1.1
125.02332	2.6
133.24229	0.8
136.01550	2.0
137.02336	26.7
138.02979	0.9
139.00241	1.5
139.01198	0.9
139.03860	1.0
147.00819	1.0
149.02333	1.5
149.55688	0.9
150.03113	2.7
151.00246	14.6
151.03879	4.2
152.01085	1.4
152.04723	3.4
161.02361	0.9
162.03145	1.9
163.03871	2.6
164.00978	1.6
164.04669	1.3
165.01842	100.0
165.05492	4.8
166.02623	42.4
166.99852	1.3
167.03275	3.6
169.01328	3.9
170.75462	0.9
173.02364	1.0
175.03954	2.4
176.01053	1.0
177.01831	3.1
177.05521	1.4
179.03416	22.0
179.07072	1.5
180.04196	57.2
181.04982	49.7
182.05344	2.6
184.03702	1.7
187.03914	2.0
190.02637	0.9
190.06277	1.4
191.03452	1.6
192.04178	1.0
193.04961	2.4
194.05743	4.0
195.02859	2.8
195.06558	75.3
196.06940	3.6
205.04962	5.7
206.05685	1.0
207.06502	1.7
209.08017	1.1
209.11795	2.1
210.05264	13.3
219.06581	1.8
220.07300	5.2
225.07631	60.7
226.07935	2.2
270.98923	0.9
298.98193	1.1
300.99887	3.3
314.89560	0.9
341.10083	1.4
359.11502	1.4
372.12271	1.1
386.13763	1.9
387.10168	7.6
387.15161	7.8
388.11157	1.3
402.13348	4.7
403.13834	1.9
416.14719	3.5
417.15506	67.8
418.15878	6.3
478.64142	1.1
565.19373	1.5
595.21808	55.7
596.22369	7.1
643.14069	1.6
643.24023	24.0
644.24323	2.9
789.30896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.0
63.02048	0.8
67.01768	1.3
70.20095	0.8
71.01264	1.4
71.12018	1.5
78.95760	1.2
79.95615	1.6
80.96385	1.6
85.02805	1.1
95.01275	1.1
96.95918	5.1
109.02831	4.7
111.00678	0.9
112.93713	0.9
113.02333	1.0
121.02880	1.7
123.00752	3.4
123.04465	1.1
125.02332	2.6
133.24229	0.8
136.01550	2.0
137.02336	26.7
138.02979	0.9
139.00241	1.5
139.01198	0.9
139.03860	1.0
147.00819	1.0
149.02333	1.5
149.55688	0.9
150.03113	2.7
151.00246	14.6
151.03879	4.2
152.01085	1.4
152.04723	3.4
161.02361	0.9
162.03145	1.9
163.03871	2.6
164.00978	1.6
164.04669	1.3
165.01842	100.0
165.05492	4.8
166.02623	42.4
166.99852	1.3
167.03275	3.6
169.01328	3.9
170.75462	0.9
173.02364	1.0
175.03954	2.4
176.01053	1.0
177.01831	3.1
177.05521	1.4
179.03416	22.0
179.07072	1.5
180.04196	57.2
181.04982	49.7
182.05344	2.6
184.03702	1.7
187.03914	2.0
190.02637	0.9
190.06277	1.4
191.03452	1.6
192.04178	1.0
193.04961	2.4
194.05743	4.0
195.02859	2.8
195.06558	75.3
196.06940	3.6
205.04962	5.7
206.05685	1.0
207.06502	1.7
209.08017	1.1
209.11795	2.1
210.05264	13.3
219.06581	1.8
220.07300	5.2
225.07631	60.7
226.07935	2.2
270.98923	0.9
298.98193	1.1
300.99887	3.3
314.89560	0.9
341.10083	1.4
359.11502	1.4
372.12271	1.1
386.13763	1.9
387.10168	7.6
387.15161	7.8
388.11157	1.3
402.13348	4.7
403.13834	1.9
416.14719	3.5
417.15506	67.8
418.15878	6.3
478.64142	1.1
565.19373	1.5
595.21808	55.7
596.22369	7.1
643.14069	1.6
643.24023	24.0
644.24323	2.9
789.30896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	0.4
59.01250	19.4
69.58765	3.3
71.01259	4.6
72.99150	0.6
78.95786	0.6
79.95635	0.9
80.04929	1.6
85.02814	0.9
87.00768	0.8
89.02316	3.6
92.04935	0.8
94.06482	0.6
95.01254	0.5
95.23310	0.4
96.95883	5.8
101.02319	2.3
105.63676	0.5
106.06517	2.0
107.03657	0.4
108.04502	0.5
112.93620	3.8
113.02312	1.4
114.93183	0.8
119.03394	1.2
120.04428	1.6
120.08087	3.5
121.05230	3.4
122.06010	23.0
123.00801	0.5
125.02309	0.9
132.04446	6.1
134.06013	11.0
135.06299	0.5
146.06010	0.9
148.07570	1.3
152.07031	1.1
159.05493	0.6
160.06337	9.5
169.01361	1.0
170.09624	0.5
197.07147	1.3
198.07993	0.7
198.12820	1.6
209.11749	1.0
211.08698	0.8
213.10280	46.2
214.10553	2.5
214.12399	1.2
223.08620	1.0
224.09328	0.5
225.10141	3.0
226.07220	0.5
226.11005	4.1
227.11751	0.8
236.09454	0.8
237.10265	0.6
239.11874	11.4
240.12175	0.8
241.13428	24.4
242.13721	1.7
251.08189	2.1
251.11839	3.3
252.12527	0.8
253.13417	0.7
265.13412	1.0
267.12085	0.7
267.15021	10.4
268.15283	1.1
269.12909	1.3
279.11380	14.3
280.11749	1.1
281.13007	0.5
285.12448	81.3
286.12747	6.3
293.12830	0.7
300.99890	0.7
314.12616	0.6
316.14554	0.6
325.50351	0.5
344.14133	0.8
358.15524	2.5
371.16266	0.5
373.18060	0.5
374.18698	0.7
386.18582	1.3
400.17145	0.6
449.19431	0.8
459.17798	4.6
463.21576	0.5
495.40491	0.5
565.24377	1.2
673.28613	1.1
701.32294	3.6
717.31104	1.6
745.30884	100.0
746.31177	17.5
771.28369	2.5
789.29877	3.8
798.55743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0998
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
61.30586	0.5
67.01768	1.1
69.03326	2.6
69.69900	1.6
69.70313	1.2
71.01261	2.1
72.99183	0.5
73.02795	0.5
73.54129	0.4
79.01753	0.8
81.03317	1.0
83.01261	1.0
85.02831	1.6
95.01250	3.8
97.02825	2.6
98.19853	0.7
101.02316	1.0
107.01264	7.4
111.00768	1.9
113.02316	1.5
123.00771	8.6
124.01515	1.5
125.02332	89.4
126.02663	2.8
127.00253	1.0
136.98691	1.0
137.01166	0.5
137.02303	1.1
139.00266	3.2
140.01062	3.4
141.01826	0.9
143.03386	0.8
145.02719	0.7
149.02348	0.9
151.00249	2.1
152.87872	0.4
153.01833	0.7
161.02341	1.1
165.01807	1.2
166.99782	2.5
168.00551	6.2
169.01331	100.0
170.01659	3.3
172.78436	0.5
177.01857	0.6
179.03409	0.6
181.01338	1.1
191.03436	0.9
193.01346	3.5
193.04944	0.5
196.91608	0.5
203.03427	0.7
205.01323	1.0
205.05020	0.6
207.02911	0.8
211.02422	5.4
223.02527	0.8
235.02461	1.2
249.03964	0.6
256.01520	0.4
256.91031	0.5
261.03873	0.5
271.04620	1.6
277.03384	0.8
295.04581	6.5
296.04889	0.8
298.84949	0.5
300.99811	1.2
302.00259	1.2
303.00476	0.8
313.05637	6.9
314.05835	0.7
316.02255	0.7
321.02585	0.9
338.60544	0.5
423.05475	0.7
429.04623	0.7
447.05640	1.5
465.06686	4.0
483.07721	0.9
617.07690	9.3
618.07977	1.2
625.14105	0.9
635.08820	19.4
636.09052	2.5
787.09894	46.2
788.10138	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	787.2887
Annotation	7-Hydroxy-5-methoxy-6-methylflav-2-ene-(4->3alpha)-7-hydroxy-5-methoxy-6-methlflavan-(2->7,4->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
57.03318	0.5
58.62610	0.5
59.01254	3.8
61.98705	0.6
63.96101	0.8
69.38646	3.4
69.39051	0.9
71.01247	2.7
79.95606	15.9
80.02570	0.8
80.96389	10.1
81.03348	1.2
83.04898	3.7
84.02031	1.1
85.02820	1.2
85.07780	0.6
86.38404	0.7
86.98946	0.6
87.00785	0.9
89.02315	2.1
95.01276	1.9
95.04893	0.9
96.95883	17.1
101.02350	2.2
107.01250	1.1
109.06498	0.6
111.00787	0.8
111.92825	0.7
112.93612	100.0
113.02320	1.4
113.93530	0.7
115.00279	1.3
119.03389	0.7
122.97512	0.6
123.00767	3.2
125.02341	5.5
133.12138	0.5
135.08058	0.8
161.02394	1.0
161.04404	0.7
163.00305	0.6
163.11168	3.0
165.12773	1.7
166.99797	1.6
169.01318	7.8
170.01682	0.8
171.10318	0.7
173.02339	0.6
173.54225	0.5
175.02408	2.2
177.01744	0.9
190.02681	0.6
195.06807	0.4
201.01901	0.9
207.10074	0.8
209.11765	45.6
210.12120	2.6
211.89439	0.6
217.08994	1.0
227.12724	3.4
229.01360	0.9
239.11861	0.8
241.08951	0.6
242.99135	0.6
253.09261	1.3
270.98752	1.3
273.00305	0.9
275.02121	0.7
277.14478	0.8
283.19702	0.5
298.98309	1.8
299.98929	1.6
300.99844	5.6
302.00262	1.1
403.21243	1.5
404.21213	0.7
434.14896	0.6
541.13379	0.5
787.28845	68.3
788.29144	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	789.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
63.02267	2.2
65.00195	4.4
68.01288	0.6
69.60946	1.8
78.95782	1.1
79.95620	0.5
80.96449	0.3
83.01256	4.2
83.01713	0.4
93.03313	1.3
96.95881	5.8
107.01267	11.8
107.72599	0.3
109.02859	0.7
110.03458	1.2
110.98351	0.4
111.00741	0.5
111.01892	1.8
113.34502	0.3
117.56962	0.2
120.92786	0.3
121.02842	9.3
123.00778	1.1
125.02324	2.1
134.59756	0.3
135.00760	0.3
137.02338	0.4
139.03915	0.5
145.02818	0.3
147.04468	0.4
149.02306	1.6
151.00273	46.4
152.00572	1.4
159.04388	0.3
163.00305	0.7
163.03909	0.6
164.01099	0.5
164.32846	0.3
166.73735	0.3
166.99823	0.3
169.01328	5.1
174.62131	0.3
178.99777	19.7
180.00174	0.9
187.03932	0.4
192.00638	0.4
193.01372	1.5
199.03900	0.4
201.05446	0.3
211.03954	0.6
215.03632	0.3
227.03436	0.6
229.04947	1.1
245.04538	1.0
249.17894	0.3
255.02951	0.5
257.04550	1.0
271.02438	0.9
272.02722	0.3
273.01175	0.4
273.03995	2.6
274.04437	0.4
299.01950	0.9
299.99567	0.4
300.02667	2.0
301.03510	100.0
302.03864	6.8
355.06665	3.7
356.07129	0.6
433.07724	59.8
434.08075	5.3
609.29480	0.4
657.10944	4.1
658.11511	0.3
677.50415	0.5
789.15619	0.8
789.33545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0996
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
67.01762	1.6
68.99689	0.6
69.03327	2.3
70.90588	0.5
70.90920	0.8
71.01256	1.6
79.01759	1.4
81.03332	0.9
84.00297	0.5
85.02820	1.2
95.01264	4.1
97.02837	2.3
101.02323	0.8
107.01270	6.4
109.02837	0.8
111.00760	2.1
113.02334	1.4
121.02848	1.0
123.00768	12.1
124.01511	1.8
125.02335	79.4
126.02673	2.9
127.00241	0.6
135.04439	0.5
136.98689	1.1
137.02319	0.7
139.00272	3.0
140.01080	3.4
141.01828	1.1
145.02869	1.0
147.04428	1.2
151.00278	2.8
151.03937	0.9
161.02370	1.0
163.00217	0.6
163.03940	1.2
165.01823	0.8
166.99774	3.9
167.03349	0.7
168.00562	7.0
169.01334	100.0
170.01685	4.5
175.03912	0.9
177.01813	1.2
179.03403	0.9
181.01414	0.9
189.01797	0.8
190.02708	0.5
191.03441	1.5
192.04172	0.5
193.01387	2.4
193.04869	0.6
205.01335	1.3
207.02946	0.9
208.38344	0.4
211.02454	5.7
217.01398	0.5
219.02863	0.8
221.04524	1.1
223.02373	0.9
233.04544	0.8
235.02472	0.8
237.03996	0.7
241.03476	0.9
245.00847	0.8
245.08989	0.5
249.04002	0.8
253.03673	0.6
257.00800	0.6
271.04657	1.5
273.00473	0.9
277.03571	2.1
279.05231	0.9
295.04550	5.8
300.99832	2.4
302.00040	0.9
313.05637	9.6
314.05606	0.6
339.96765	0.5
405.04810	0.5
423.05954	1.0
447.05573	2.1
465.06726	8.3
466.06955	1.4
483.07602	0.8
515.95392	0.5
617.07843	14.4
618.08075	2.5
634.08038	0.6
635.08832	16.7
636.09082	2.0
787.10004	25.5
788.10095	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	785.084
Annotation	Tercatain
Peak:m/z	Relative Intensity
67.89123	1.0
70.14676	0.7
85.02802	0.9
95.01250	2.8
96.39913	0.7
96.47546	0.7
105.03336	0.9
107.01260	3.3
117.41994	0.8
119.04928	0.9
123.00776	6.4
124.01530	1.8
125.02338	19.6
126.02634	0.7
129.03326	1.0
131.04883	1.3
133.02809	1.7
145.02831	3.5
147.04422	2.4
149.02376	1.2
152.54172	0.8
157.02768	1.8
159.04391	3.0
161.02365	2.2
163.03915	1.6
164.04671	1.4
168.00516	0.8
169.01343	11.4
169.31584	0.8
173.02344	4.6
175.03915	4.6
177.01869	2.7
180.05389	0.8
185.02333	4.7
187.03949	2.0
189.01811	1.4
190.02637	2.5
191.03346	4.6
193.01427	1.0
199.03897	0.9
201.01813	8.6
203.03419	11.2
205.01474	0.9
213.01933	2.6
214.02727	1.1
217.01355	2.5
219.02870	1.6
229.01366	15.5
230.02048	1.8
231.02953	11.0
241.78418	0.8
244.00058	1.1
245.00932	5.5
247.02405	2.8
248.03165	4.7
249.04007	17.7
249.06558	1.0
250.04379	1.6
257.00885	12.5
258.01556	5.3
273.00296	1.8
274.01074	2.7
275.01962	51.1
276.02155	1.7
283.99612	4.3
291.01334	2.0
299.99191	5.1
300.99875	100.0
302.00214	6.1
313.05548	1.6
357.05789	1.1
406.43402	0.9
419.06119	2.5
445.04050	1.2
463.05228	1.7
589.08569	1.9
615.05481	4.1
633.07214	1.7
662.89691	1.0
734.99304	1.0
785.08411	36.8
786.08368	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	785.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56787	0.5
91.01790	0.4
93.03367	0.4
98.65475	0.3
108.90066	2.9
120.02098	0.8
121.02841	100.0
122.03191	3.1
125.02394	0.4
136.01505	0.4
155.70255	0.3
165.01878	2.8
181.06480	2.4
191.03447	2.3
197.11688	0.4
209.04489	70.0
210.04771	3.1
215.35422	0.3
225.05464	2.5
291.19653	0.5
300.74930	0.3
313.07156	4.9
357.06174	1.8
384.51065	0.4
401.08731	10.8
402.09109	1.4
486.39026	0.4
549.10577	0.6
575.11798	0.6
785.17688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.1
61.98707	1.4
63.20211	0.5
64.53626	0.7
67.01785	0.7
69.03328	0.6
69.44289	0.6
71.01266	2.7
71.10287	0.8
71.10641	1.3
77.92398	0.6
79.95605	43.3
80.02573	1.2
80.96391	62.5
81.03344	0.8
83.04909	4.5
84.02076	1.1
87.00763	0.9
89.02346	2.0
93.03416	0.6
95.01254	3.4
95.95109	3.3
96.95892	64.7
97.02843	1.6
98.98451	0.7
99.00784	0.7
101.02356	2.8
107.01315	0.8
109.06480	3.1
111.00818	1.2
112.93613	18.9
113.02380	1.1
116.92786	0.7
123.00788	7.0
124.01578	1.5
125.02345	6.3
125.05983	0.9
125.09668	0.9
135.04420	0.8
139.00313	2.4
139.03975	1.4
149.02373	1.3
150.03082	4.1
151.03851	0.8
153.05511	0.7
156.54956	0.6
161.04491	0.8
163.03940	0.9
163.11179	5.6
164.11511	0.7
165.05557	2.3
165.12822	2.0
166.02663	1.8
166.99733	3.4
168.00597	1.4
169.01352	9.1
170.01746	0.8
172.02457	0.6
175.02423	0.8
181.04996	0.9
181.12306	1.1
183.02892	3.0
187.63884	0.8
191.03423	0.6
191.10722	1.1
199.09784	1.5
199.13445	0.6
207.10211	7.1
209.11768	60.3
210.12074	4.2
225.11276	5.7
227.12831	5.1
241.00316	0.8
253.09317	2.6
275.02106	0.8
286.47928	0.6
293.85953	0.6
301.00150	2.2
302.00275	1.4
307.08951	0.8
332.09131	0.7
347.07941	2.4
348.08560	2.4
361.09579	1.0
362.10004	4.8
363.10797	5.5
375.10980	2.4
377.12668	1.2
525.16614	1.4
551.93652	0.7
588.18408	5.0
589.19617	2.2
613.41589	0.6
785.33112	100.0
786.33801	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	783.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07248	0.3
56.67332	0.3
60.72893	0.2
60.82561	0.2
66.26795	0.3
69.26089	2.0
69.26492	0.7
71.01273	0.2
97.26282	0.2
110.00009	0.3
111.00733	1.7
124.01559	0.7
125.02338	0.4
127.00256	0.5
135.21516	0.3
136.98691	1.1
137.11252	0.2
139.00255	1.2
140.01074	2.1
148.59674	0.3
168.00533	4.2
182.02029	0.3
183.02904	100.0
184.03270	3.6
217.01201	0.3
230.77393	0.3
300.02676	0.5
301.00012	0.3
301.03400	0.4
335.04068	18.0
336.04398	1.1
447.09344	0.5
600.09308	0.3
612.67566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.9
59.89577	0.4
61.98701	3.7
64.22826	0.4
69.03334	0.4
70.58486	1.2
71.01256	4.5
73.02821	1.2
78.95795	0.7
78.98465	0.5
79.95612	1.4
80.96393	9.7
81.03336	0.7
83.04902	2.5
84.02031	0.3
85.02818	1.6
87.00730	1.1
89.02329	2.3
94.97956	1.5
96.95884	0.9
97.02827	0.5
99.00788	0.4
101.02332	3.2
113.02337	1.4
113.05895	0.4
119.03367	0.4
122.97511	0.7
123.08109	0.4
125.02352	0.7
134.97473	0.7
135.08061	0.5
141.12804	0.4
145.04912	0.6
148.99036	1.1
152.98538	0.5
161.04488	1.1
163.11215	2.1
164.98515	1.6
165.12753	1.1
169.12239	1.0
171.13832	0.6
179.05560	0.6
185.11780	2.2
191.10771	0.6
199.13301	5.2
200.13739	0.4
207.10046	0.5
209.11769	64.0
210.12134	3.5
225.00723	2.6
225.11192	0.6
227.12834	12.2
233.22815	0.4
235.08197	5.3
236.10916	0.4
246.99251	0.3
253.09282	7.7
254.09834	0.4
255.23291	0.6
277.21713	100.0
278.22064	10.3
279.22430	0.4
306.47311	0.4
445.20920	1.0
463.21436	0.4
513.30853	0.8
537.27393	0.4
739.39709	0.6
783.41931	11.6
784.41809	1.8
787.04370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
58.00454	1.8
59.01250	32.8
60.01638	0.5
69.03301	1.0
70.42953	1.7
71.01253	5.7
71.04881	0.6
72.99181	1.5
73.02790	1.3
73.26993	0.5
78.28903	0.5
78.95750	1.1
79.95594	0.7
80.47678	0.5
80.95981	0.6
80.96396	3.9
83.01256	0.9
85.02799	1.7
87.00734	2.1
89.02311	2.2
96.96809	0.6
97.02825	0.9
99.00743	1.3
101.02322	3.8
106.45399	0.5
107.24802	0.6
111.00771	1.0
113.02327	2.3
119.03390	0.9
125.02354	0.8
129.05582	0.5
139.11127	1.0
141.12749	4.5
143.03392	1.0
145.04910	0.8
155.45973	0.6
161.04428	1.1
163.11110	0.9
165.12758	1.8
167.10626	1.3
169.12242	10.9
171.13803	3.0
172.88753	0.5
179.10782	0.7
181.12215	1.1
185.11754	23.7
186.12085	1.3
197.11705	1.6
199.13327	52.1
200.13680	2.6
207.10208	1.7
209.11772	8.6
225.00688	0.8
225.11269	3.8
227.12840	43.6
228.13203	2.0
229.14320	0.6
235.08189	2.4
253.09274	6.5
255.23250	0.8
259.20795	0.6
277.09262	1.8
277.21710	100.0
278.22076	8.3
279.23236	6.5
280.23669	0.6
295.10266	1.7
304.30063	0.6
376.91336	0.6
445.20804	4.8
463.21860	3.7
582.38147	0.8
723.43085	3.2
724.43579	1.0
783.40985	3.1
784.42657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69761	0.2
59.01247	2.4
60.01544	0.2
61.98700	100.0
69.61758	0.2
71.01280	0.6
78.95808	0.2
79.95610	0.4
80.96389	2.2
82.61848	0.2
82.96001	0.2
85.02833	0.2
87.00793	0.2
87.54430	0.2
94.97944	0.4
97.02821	0.2
98.20527	0.5
99.00722	0.4
101.02361	0.3
113.02315	0.2
116.92793	0.2
128.14014	0.2
161.04485	0.2
163.11208	0.3
164.98573	0.4
169.12233	0.2
171.81892	0.2
179.07237	0.2
181.12312	0.3
182.12642	0.4
185.11728	0.3
199.13414	0.6
200.13651	0.2
207.10135	1.3
208.10596	0.7
209.11832	2.4
210.12132	0.7
225.00719	0.6
225.11266	2.5
226.11610	2.1
227.12817	1.2
235.08307	0.4
243.12541	0.3
244.12756	0.3
253.09354	0.8
254.09708	0.2
255.23242	0.2
277.21701	8.7
278.22073	6.4
279.22372	2.4
280.22760	0.5
444.19247	0.2
445.20404	0.3
463.21100	0.3
471.18423	0.2
723.42798	0.7
724.42859	1.2
740.40741	0.2
783.42291	0.2
784.42108	2.1
785.43146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81826	0.1
59.01253	2.1
59.15892	0.1
60.01582	0.1
61.98701	100.0
62.98405	0.2
66.16297	0.1
70.76144	0.1
71.01261	0.6
74.58449	0.1
79.95620	0.2
80.96393	1.3
83.04917	0.2
89.02331	0.3
94.97958	0.3
96.95843	0.2
97.02845	0.4
97.30183	0.1
99.00769	0.5
101.02347	0.3
125.02365	0.2
127.03835	0.2
140.81528	0.1
163.11240	0.5
167.10796	0.2
181.12321	0.7
182.12671	0.4
185.11778	0.6
199.13341	0.7
200.13728	0.3
207.10185	1.8
208.10558	1.1
209.11848	3.9
210.12157	1.2
211.13422	0.2
225.00764	0.2
225.11264	3.1
225.13257	0.2
226.11604	2.3
227.12106	0.8
227.13074	0.8
228.13188	0.1
229.49808	0.2
235.08270	0.2
243.12448	0.4
244.12856	0.3
253.09328	0.5
254.09650	0.1
277.21732	6.6
278.22055	3.8
279.22437	1.3
280.22479	0.3
362.29477	0.1
373.88626	0.2
445.19916	0.2
461.20654	0.3
462.20700	0.9
463.20828	0.9
464.21460	0.5
572.83057	0.1
722.42236	0.2
723.43005	0.5
724.42853	1.1
784.41864	1.5
785.41583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
58.49671	0.3
58.85067	0.3
59.01250	15.5
63.12183	0.3
66.82697	0.3
69.03326	0.5
70.13266	0.5
70.13677	1.4
71.01250	4.8
71.04884	0.7
72.99197	0.5
73.02804	1.3
78.95783	0.5
80.95867	0.3
80.96386	1.4
81.03351	0.5
83.01246	0.4
83.04881	0.5
85.02820	0.6
87.00749	0.8
89.02309	2.3
94.97948	0.4
95.01278	0.6
97.02823	6.2
97.06448	0.7
98.20438	0.6
99.00755	10.2
101.02316	2.9
109.06462	1.7
110.03624	1.4
111.04416	0.6
113.02329	1.9
119.03445	0.5
123.08041	0.6
125.02303	1.0
125.09616	2.9
133.04987	0.4
135.08075	1.0
136.05203	1.1
142.02605	2.1
145.04977	0.4
145.10167	0.5
161.04472	1.3
161.09680	0.7
161.28114	0.4
163.11205	7.1
164.11604	0.4
179.10622	0.6
181.12257	19.0
182.12611	0.4
197.11784	1.2
199.13281	1.5
207.10202	45.7
208.10464	2.2
209.11900	0.4
225.11267	100.0
226.11580	4.1
235.08261	1.4
243.12343	10.7
244.12688	0.4
253.09267	2.6
267.12271	0.5
277.21707	81.6
278.22089	5.4
281.14273	0.4
299.14926	0.5
317.15982	0.6
387.67697	0.4
443.19153	3.7
444.19601	0.4
460.75510	0.4
461.20276	39.2
462.20663	3.1
513.31934	0.3
721.41638	25.6
722.42212	3.7
781.40265	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	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
56.60190	0.4
57.06303	0.3
59.01247	11.8
67.68313	0.4
69.03289	0.5
69.05484	0.4
71.01256	3.5
71.04877	0.7
71.33386	0.9
71.86346	0.4
73.02826	0.9
80.96388	1.1
81.03346	0.6
85.02819	0.9
87.00759	0.7
89.02325	1.2
89.31100	0.5
97.02805	3.0
97.06430	0.6
99.00756	7.6
101.02321	2.9
109.06485	0.6
110.03580	0.8
111.28040	0.4
113.02296	1.3
123.04362	0.5
125.09583	1.8
129.01897	0.5
136.05164	1.0
142.02620	1.0
154.94102	0.4
161.04448	1.3
163.11208	4.9
177.30409	0.5
181.12242	8.9
207.10194	27.0
208.10509	1.3
223.13245	0.4
225.00671	0.5
225.11263	53.5
226.11504	2.7
235.08182	3.3
243.12323	5.5
253.09261	4.0
259.20633	0.5
267.12253	0.5
277.21704	100.0
278.22049	8.1
366.59598	0.5
385.84879	0.5
443.19257	5.0
461.20184	4.8
462.20746	0.6
513.30823	0.6
577.36646	0.5
721.41644	17.3
722.41895	3.4
781.40533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63595	3.2
71.28220	6.5
80.58640	2.9
82.83284	3.2
83.16980	3.2
95.01295	6.1
96.95876	12.1
97.02754	3.7
101.02341	3.7
103.36214	3.3
107.01277	5.5
111.00809	7.0
123.00764	16.7
125.02324	18.8
133.02861	6.5
135.04401	3.3
137.02362	5.0
139.00252	7.9
145.02890	5.9
151.00227	6.4
159.04506	3.7
160.01550	3.9
163.00259	5.5
164.98161	7.3
166.99739	13.0
169.01373	23.7
178.99675	4.2
185.00883	3.2
189.01859	7.9
191.03452	8.0
201.01826	8.2
203.03372	6.2
213.01802	3.8
214.99791	3.4
215.03447	5.3
217.01331	10.1
229.01387	11.2
231.02997	5.5
241.04875	3.6
245.00830	7.7
247.02354	6.6
251.03699	3.5
257.00864	6.9
259.02469	6.7
261.00317	10.8
270.98752	8.4
271.02597	3.7
271.99686	3.4
273.00339	11.7
275.01932	5.0
282.99011	3.4
283.99609	5.8
285.00443	21.0
286.98087	3.0
288.99985	5.7
298.98322	5.9
299.99030	9.3
300.99902	46.7
301.03128	6.4
302.00241	4.3
310.98358	4.7
311.01932	4.5
315.01453	9.4
316.01926	5.5
317.02988	6.7
323.01785	6.7
325.03564	4.1
351.01425	6.2
450.99530	31.8
490.11209	3.5
613.04443	7.3
615.64111	3.9
783.06958	100.0
784.08075	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	777.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.3
61.29859	0.6
63.02269	1.6
65.00208	2.2
69.03331	0.6
71.01259	1.3
71.05812	1.3
81.03325	0.6
83.01250	1.8
85.02802	0.8
95.01272	1.4
96.95916	0.7
97.02829	0.7
101.02364	0.6
107.01257	4.5
109.02850	2.8
109.40900	0.6
111.00781	0.7
123.00750	4.1
124.01556	3.6
125.02332	11.9
134.03613	1.5
135.00839	0.6
136.98718	0.9
137.02328	4.8
139.00266	0.8
143.68729	0.6
151.00276	15.1
152.01028	1.2
153.01843	0.8
163.00284	2.4
164.01048	3.6
165.01828	1.2
166.99727	1.4
168.00493	1.5
169.01335	14.1
175.03845	0.7
177.01788	1.0
178.99762	17.2
179.03383	1.0
189.01852	1.2
190.99831	0.8
192.00519	1.2
193.01390	1.6
193.05002	1.4
203.03465	1.3
204.04141	0.9
214.02663	9.3
215.03421	1.1
219.02872	0.9
227.03401	2.0
229.01347	0.8
232.03572	1.0
242.02151	5.5
243.02879	3.8
259.02429	7.5
260.03036	0.7
270.01654	7.8
271.02457	44.4
272.02786	2.8
285.03818	0.9
287.01962	25.4
288.02493	4.1
298.98508	0.9
299.01935	1.5
299.98993	1.1
300.99789	2.1
301.03549	0.8
315.01547	2.7
316.02213	100.0
317.02930	30.3
317.06677	1.3
318.03226	1.3
459.11456	2.1
484.81754	0.6
597.14795	0.6
625.13855	4.7
777.15149	73.7
778.15570	9.9
778.29333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80986	2.2
57.02124	2.5
59.01233	6.4
62.91925	2.1
63.56001	2.1
71.01270	2.4
74.34911	2.3
89.02303	3.1
98.20547	6.3
199.13353	4.9
201.11287	36.3
207.10207	4.5
209.09871	4.9
209.11754	64.5
210.12062	2.6
227.12828	22.6
235.08194	8.9
253.09215	14.2
255.22662	2.6
277.21719	100.0
278.22107	11.2
293.21313	2.8
317.03000	2.6
353.45831	2.7
445.20905	7.5
463.21710	6.9
513.30701	5.5
723.43475	6.3
767.87506	3.0
777.41455	16.0
778.42493	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	779.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20927	0.6
58.26211	0.7
59.01251	20.4
64.72895	0.7
69.03325	2.0
71.01247	3.2
71.04868	0.8
73.02831	1.1
77.24208	0.7
82.37602	0.7
85.02856	0.8
87.71465	0.7
89.02313	1.7
93.40292	0.7
101.02312	3.0
113.02325	1.5
125.02329	0.8
156.60953	0.7
161.04459	1.7
167.10663	3.0
179.05534	1.1
179.10712	1.0
179.14345	3.3
185.30498	0.6
195.13843	9.8
205.12280	8.1
223.13348	100.0
224.13652	5.3
235.08189	2.5
253.09262	7.4
277.21713	59.9
278.22021	3.6
441.20837	1.8
459.22369	14.8
460.22562	1.6
719.44812	1.6
754.55908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.8
70.73483	2.0
70.73835	0.9
73.44569	0.7
78.92093	0.8
84.06276	0.7
90.00976	0.8
94.99383	0.7
117.03387	1.7
123.00787	0.9
133.02846	1.7
145.02882	4.3
147.04453	0.8
156.33131	0.9
157.02838	0.9
161.02385	5.5
163.03876	2.8
171.00755	2.9
173.02368	3.9
175.03920	1.8
176.80525	0.9
179.03313	1.1
185.02362	3.2
189.01805	5.5
191.03418	2.7
199.00340	2.5
201.01862	6.4
203.03418	2.1
214.99907	1.6
216.00557	1.4
217.01343	11.9
219.03049	1.3
226.99838	4.3
228.00601	0.9
229.01335	8.5
231.02820	1.2
242.99333	2.8
245.00854	8.9
247.02457	2.7
249.03979	1.3
254.99324	1.3
257.00974	4.5
259.02438	1.3
261.00439	1.7
261.12228	0.9
270.98853	5.6
273.00415	13.5
274.00885	1.1
275.01941	7.0
283.99667	2.5
285.00299	1.5
288.99979	1.0
291.01495	2.0
298.98358	11.2
299.98987	5.4
300.99878	100.0
302.00235	6.1
316.99390	3.3
319.00815	1.7
461.03824	5.6
479.04868	2.2
745.03949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59309	0.6
59.01244	1.4
63.02249	1.5
65.00186	1.7
69.03319	0.6
70.40689	1.0
70.41052	1.9
71.01237	1.1
76.38036	0.7
83.01267	0.9
89.02332	0.9
93.03314	1.0
95.01266	2.2
96.95912	1.4
101.02324	0.7
107.01279	4.1
109.02814	0.9
118.82028	0.6
123.00796	8.2
125.02331	9.4
125.03752	0.7
133.02898	0.9
135.00786	0.8
137.02333	1.6
139.00255	1.6
141.01877	0.9
143.04926	1.7
149.02290	0.8
151.00275	8.4
161.02281	1.4
162.77861	0.6
163.00299	1.7
163.03860	0.8
166.99823	3.6
169.01338	16.1
170.01691	0.9
173.02284	0.8
177.01831	0.7
185.06024	2.5
187.03917	1.4
189.01753	0.7
195.04466	0.6
203.03481	0.8
205.30003	0.6
213.05568	2.2
214.99884	1.0
215.03314	0.7
217.01360	1.7
218.09790	0.6
227.03369	1.6
229.01306	0.9
229.04990	5.7
233.01154	0.8
240.04288	1.2
243.02979	0.8
245.00879	2.2
257.01105	0.6
257.01947	0.7
257.04492	5.2
266.00635	0.6
267.02951	0.7
270.98776	1.9
271.99466	0.8
273.00424	1.5
285.04041	100.0
286.04364	7.8
298.98315	1.6
299.99063	1.4
300.99908	10.4
301.03137	1.0
315.01401	2.7
316.02054	1.0
316.99429	0.7
317.03082	1.2
398.12894	0.8
443.13144	0.7
459.11435	48.6
460.11676	4.6
461.03629	0.8
484.13919	0.6
509.10876	0.6
533.61267	0.8
544.15210	0.6
594.54413	0.8
691.22479	1.0
737.34052	1.2
745.16302	2.6
746.16815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45382	1.8
57.49163	1.7
59.01253	5.4
61.98711	2.0
63.87640	1.8
70.85482	5.0
71.01251	4.3
75.83923	1.8
78.95791	3.0
79.95616	3.6
87.72584	2.0
95.04889	1.9
95.95109	3.1
96.95891	30.7
101.02309	3.1
113.02297	2.3
171.10187	100.0
172.10632	2.1
199.13248	3.3
201.11156	4.0
207.10208	6.9
225.09262	2.8
225.11311	38.2
235.08183	8.5
243.12691	2.0
253.09317	10.2
277.21725	95.8
278.21994	8.3
279.09094	2.8
407.19299	8.5
435.18814	1.8
443.19220	6.5
461.20313	10.5
513.30695	5.7
650.89746	2.2
667.40698	5.6
721.41913	19.4
722.42023	5.1
775.38977	17.6
776.38556	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	4.9
61.98693	2.9
63.76820	1.9
67.73014	1.9
69.35108	13.8
69.35516	4.3
71.01242	4.8
73.02818	3.4
77.76239	1.9
78.17818	2.1
78.95766	8.1
79.77769	1.9
96.45123	2.1
96.95889	16.6
101.02318	3.5
109.06503	3.9
150.69901	1.9
150.95839	2.4
152.99481	2.4
163.11133	4.1
166.66046	2.0
171.10167	39.7
181.08679	2.4
199.09718	14.8
201.11259	4.4
207.10202	16.2
225.11259	41.6
226.11742	3.1
235.08189	5.3
253.09293	10.5
255.23282	2.0
262.71017	2.1
277.21710	100.0
278.22031	6.4
279.16364	2.0
353.13876	2.1
407.19168	5.3
417.17783	3.1
443.19394	3.7
461.20547	11.5
481.51572	2.3
513.30475	4.7
687.79016	2.4
695.39966	23.1
696.39838	3.5
721.41815	25.9
722.41595	7.0
761.22351	2.4
775.39453	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	775.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48136	22.0
69.56673	22.9
70.52642	43.7
70.52995	56.6
121.66511	25.7
130.71304	23.6
150.08383	22.4
199.21291	24.1
199.27626	23.0
207.09113	25.8
211.13307	100.0
218.44005	25.8
255.52458	29.5
277.21759	50.3
296.31815	27.4
796.82080	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95557	0.1
71.56586	0.1
78.95778	2.0
79.95608	2.7
83.02383	0.2
94.97977	0.1
96.95889	100.0
96.96876	2.6
97.95839	0.3
98.02351	0.4
110.72263	0.1
123.00731	0.1
125.02311	0.2
138.46536	0.1
145.02942	0.1
155.26128	0.1
166.99806	0.1
169.01317	0.2
189.44112	0.1
301.00034	0.2
334.30966	0.1
690.80219	0.1
716.50934	0.3
742.68530	0.1
775.47784	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	777.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02265	2.1
65.00192	4.3
70.99917	0.8
75.83449	0.3
81.03329	0.5
83.00790	0.4
83.01251	3.0
84.19286	0.2
98.20602	0.3
100.25653	0.3
100.92077	0.3
107.01270	9.5
109.02825	6.2
119.54394	0.3
123.00771	0.8
125.02339	2.3
132.23141	0.3
137.02338	19.3
138.02646	0.4
151.00269	33.5
152.00681	1.0
155.03403	0.3
163.00250	1.4
164.01083	0.6
165.01813	1.4
169.01337	3.7
177.01822	0.3
178.99777	28.3
180.00107	0.7
187.15622	0.3
187.45720	0.3
190.99869	0.7
191.03419	0.4
192.00569	2.2
193.01352	1.9
199.03905	0.4
203.03386	0.5
227.03488	0.9
231.02998	0.3
243.02892	0.9
245.04506	0.4
255.02876	0.6
259.02380	0.5
261.04056	0.4
271.02460	3.6
272.02869	0.6
287.01907	1.0
289.03577	0.7
299.01868	0.7
315.01382	0.4
316.02200	5.2
317.02994	100.0
318.03333	7.1
459.11292	0.8
562.42896	0.3
625.14044	1.4
777.15155	3.5
778.15399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36294	0.4
57.19902	0.4
63.02263	1.3
65.00185	3.1
67.01772	0.9
69.41284	3.7
83.01270	2.0
93.03324	1.3
95.01254	1.4
107.01269	6.2
109.02834	2.9
109.99982	0.8
111.00768	6.6
121.02828	3.8
123.00789	3.0
123.04353	0.8
125.02342	3.3
136.98669	1.3
137.02345	5.2
138.99240	1.0
139.00276	14.6
139.03880	1.2
140.00623	0.8
141.01799	0.6
147.04477	0.7
149.02347	1.5
151.00273	16.1
151.03860	1.0
152.00832	0.6
163.00282	1.9
164.01045	1.6
164.98216	0.8
165.01855	1.7
165.99060	2.7
166.82484	0.4
166.99774	11.5
169.01312	4.5
171.04469	0.9
174.03018	0.5
175.03947	1.0
177.01849	0.6
178.99782	14.1
180.00143	0.6
183.04442	1.1
185.00809	1.5
185.02342	0.6
187.03899	0.9
189.01665	0.4
189.05493	0.5
192.00502	0.6
193.01346	2.4
193.98422	0.5
194.99295	3.8
199.03949	3.8
201.05353	0.6
203.03444	1.0
206.99475	0.7
208.00056	1.6
214.02681	0.7
215.03458	1.2
217.04933	1.1
222.25319	0.5
227.03450	2.1
229.05103	0.8
231.02853	1.5
243.02867	2.1
244.03563	0.7
245.04509	1.6
255.02957	3.5
259.02338	0.8
267.70999	0.5
271.02475	14.3
272.02902	1.5
273.04022	4.3
287.01932	3.6
288.02316	0.5
289.03537	0.9
299.01935	12.7
300.02744	7.4
301.00211	0.6
301.03488	17.7
302.03909	1.6
315.01459	1.9
316.02209	14.9
317.02988	100.0
318.03326	6.3
384.10458	0.5
459.11380	2.5
475.10901	0.8
609.14539	8.6
610.14807	1.0
625.14142	11.4
626.13965	1.1
691.55066	0.5
777.14655	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	773.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13728	0.1
58.38369	0.1
59.01250	0.1
71.01244	0.4
78.95773	2.2
79.95607	3.1
90.97017	0.1
94.92385	0.2
94.97963	0.1
95.97480	0.1
96.95889	100.0
96.96875	2.5
97.95828	0.3
98.02361	0.2
101.02361	0.1
118.96527	0.2
125.02300	0.1
156.64293	0.1
164.78870	0.1
182.99780	0.1
183.31876	0.1
203.60304	0.1
217.00204	0.1
229.74834	0.1
277.21747	0.2
284.32928	0.1
291.04208	0.1
298.95917	0.1
361.04504	0.1
397.13358	0.2
407.17523	0.2
415.14706	0.1
435.08243	0.5
453.09174	0.8
593.26141	0.1
636.36951	0.1
713.30811	0.8
714.30695	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	773.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.6
65.43051	4.5
71.01260	5.5
78.95792	5.4
79.95576	8.4
80.96391	8.9
83.04887	4.6
96.95905	38.7
99.38921	4.2
101.02322	7.7
107.38438	4.2
112.93605	12.9
113.66361	3.6
123.00783	3.9
125.02307	8.9
169.01340	11.2
209.11763	100.0
209.13708	5.1
227.12886	19.6
253.09251	9.1
273.00153	4.6
292.03159	4.4
301.00024	8.5
327.21729	7.1
373.04651	5.1
375.47919	4.2
445.20703	10.9
458.05020	4.1
773.37933	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	775.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
63.02256	1.8
65.00185	1.3
67.01753	0.5
69.03327	0.2
69.49201	0.6
69.49634	1.2
71.01245	1.6
72.99153	0.4
73.02784	0.3
83.01252	1.6
85.02805	0.6
87.00742	0.5
89.02345	0.4
92.38785	0.2
95.01257	0.8
96.21434	0.2
97.02820	0.4
101.02313	0.5
103.03828	0.3
107.01263	5.5
108.02052	0.8
111.00748	0.5
123.00765	5.2
124.01595	1.1
125.02332	7.0
126.02644	0.2
127.00307	0.3
135.00766	0.5
136.01599	0.5
137.02376	0.3
139.00243	1.0
139.04010	0.3
140.01027	0.4
141.01802	0.6
145.02882	0.3
148.01559	0.9
149.02287	0.4
149.99469	0.5
151.00272	11.2
152.00870	0.7
153.01768	0.3
163.00314	1.1
164.01067	1.8
166.99800	0.5
168.00525	0.5
169.01332	10.5
169.02776	0.5
170.01698	0.4
174.03136	0.3
179.03392	0.6
183.02875	0.2
184.13310	0.2
187.03929	0.3
189.01845	0.3
192.00630	0.3
193.01324	0.4
199.03975	0.5
200.04599	0.5
202.02693	0.3
211.02354	0.5
215.03423	0.6
216.04190	0.8
217.01389	0.3
226.02631	0.5
227.03426	2.3
228.04169	0.4
231.14220	0.2
243.02943	6.1
244.03618	1.8
254.02213	0.8
255.02953	9.3
256.03427	1.2
259.06027	0.4
271.02457	18.3
272.03088	3.6
273.00342	0.3
283.02496	0.7
284.03177	1.0
285.04141	0.3
287.05661	1.3
299.01880	1.7
300.02722	41.2
300.99841	0.7
301.03082	3.6
313.05594	0.4
314.04251	1.9
315.05075	100.0
316.01764	0.5
316.05417	8.5
328.20395	0.2
357.03659	0.2
410.35968	0.3
459.11417	45.0
460.11731	4.5
775.16907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21564	3.6
59.01246	10.7
61.08504	3.5
71.01253	6.3
71.56453	4.8
78.95782	16.3
96.95903	19.2
125.09635	3.5
152.99474	7.6
163.11168	6.6
171.10194	17.8
199.09660	28.9
201.11247	11.3
205.36353	3.9
207.10222	37.9
225.11285	49.0
235.08102	5.2
243.12302	4.0
253.09261	16.5
277.21707	100.0
278.22073	13.2
280.13956	3.7
346.61603	4.7
356.89578	4.0
435.18674	6.9
443.19107	7.8
461.20151	20.2
695.39978	45.3
696.40302	6.1
721.41681	48.2
722.42493	5.6
775.39539	28.0
776.40723	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	767.109
Annotation	Myricetin 3-(2'',3''-digalloylrhamnoside)
Peak:m/z	Relative Intensity
59.01267	1.3
63.02264	2.6
65.00191	4.7
70.20661	0.8
76.70799	0.7
83.01251	2.8
95.01313	1.1
96.95950	1.7
98.19777	3.7
107.01270	10.0
109.02847	7.2
121.02865	1.2
123.00761	2.9
125.02320	5.6
137.02347	20.5
149.02354	0.8
150.03094	1.2
151.00276	33.8
151.81477	0.8
152.00661	1.3
163.00299	3.4
165.01826	2.8
165.05429	1.5
166.99739	1.2
169.01332	10.7
178.99782	30.8
192.00578	1.3
193.01390	1.6
195.06497	1.6
201.01810	0.9
210.74277	0.8
214.02681	0.9
227.03369	1.9
243.02994	2.0
259.02661	1.2
261.03900	1.4
271.02475	5.8
271.05072	1.0
287.01837	1.4
299.01852	1.2
300.99792	2.6
301.03357	1.9
316.02213	6.3
317.03000	100.0
318.03329	6.6
398.40799	0.9
404.17099	0.9
425.62143	0.9
463.08899	1.5
585.23743	1.4
615.09875	72.7
616.10205	8.8
767.25891	1.2
779.63605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15344	0.2
59.01251	14.7
60.00363	0.2
60.20370	0.3
65.20058	0.2
65.86617	0.3
69.03342	0.3
70.13507	0.5
70.13912	0.9
70.16345	0.2
71.01260	2.0
73.02824	0.5
74.86859	0.2
79.95616	0.4
80.96394	1.2
85.02837	0.3
87.00786	0.5
89.02322	1.3
97.28469	0.2
100.33387	0.2
101.02322	2.3
105.66779	0.2
106.82567	0.2
113.02319	1.2
119.03352	0.4
120.39297	0.2
136.84006	0.2
155.10594	0.3
161.04521	1.2
165.12668	0.3
165.56416	0.2
167.10645	0.3
167.14307	0.5
179.05516	0.6
183.13829	6.0
184.14128	0.3
193.12288	1.7
211.13335	100.0
212.13681	4.8
225.00687	0.4
235.08186	2.2
253.09247	6.7
277.21710	60.9
278.22049	4.8
401.21933	0.3
429.21277	1.1
447.22345	5.7
448.22571	0.3
513.30334	0.6
594.16180	0.3
662.76855	0.3
707.43561	0.3
767.41821	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	771.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08643	100.0
76.01652	18.2
98.19849	29.1
107.36292	19.2
109.03455	21.4
171.10219	19.4
175.43549	20.0
200.42383	20.9
223.13354	57.1
293.21204	69.1
448.56216	22.8
771.40491	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.1
71.01241	0.6
71.62621	0.1
72.36485	0.1
75.00726	0.1
78.71449	0.1
78.95777	2.1
79.95609	3.0
95.97515	0.1
96.95893	100.0
96.96878	2.8
97.02791	0.1
97.95824	0.5
97.96335	0.1
98.02363	0.2
98.20531	0.3
118.96519	0.2
128.98604	0.1
144.98120	0.1
171.10251	0.1
186.22012	0.1
201.00620	0.1
265.48199	0.1
277.21722	0.1
287.46216	0.1
291.03986	0.1
351.17871	0.1
361.04623	0.1
397.13452	0.2
407.17590	0.4
427.73538	0.1
435.08353	0.5
453.09247	1.0
454.09540	0.1
495.09714	0.1
593.26617	0.1
713.30615	1.0
714.31152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.0
60.99178	17.6
71.01253	1.1
87.00756	4.8
87.92458	0.3
88.00286	4.9
88.01086	0.7
88.98680	100.0
89.02317	33.1
89.99034	0.7
90.02637	0.6
101.02312	0.3
103.91907	0.9
104.92680	0.7
108.84512	0.2
114.94782	0.6
122.89316	1.1
142.94321	0.3
148.90895	2.4
154.40125	0.2
158.93835	0.4
172.95320	0.4
184.95338	0.3
235.08098	0.3
277.21805	1.2
397.13461	2.6
409.00900	0.4
415.14719	0.6
469.06702	0.5
483.04480	1.0
487.02914	0.5
517.12659	0.3
729.27985	1.6
730.27893	0.6
765.25397	2.1
766.26477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
60.66129	0.2
60.99177	17.8
71.01262	1.2
80.66740	0.2
87.00754	2.7
87.92435	0.4
88.00269	3.1
88.01097	0.3
88.98677	100.0
89.02314	17.2
89.99022	0.8
99.00774	0.3
103.91909	1.7
104.92706	1.2
114.94754	0.7
122.89321	1.0
144.95956	0.2
148.90875	3.4
156.95844	0.3
158.93735	0.4
172.95305	0.6
184.95306	0.7
198.96973	0.3
200.94804	0.3
224.00381	0.2
229.32304	0.2
272.54251	0.3
277.21710	0.9
307.01086	0.3
336.98740	0.2
377.01584	0.3
397.13440	1.7
409.00552	0.8
415.14349	0.5
451.05121	0.4
469.06720	0.6
483.04697	1.3
487.03452	1.1
729.27527	1.8
730.28558	0.5
765.25433	2.4
766.25476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83324	0.2
59.01252	8.4
69.03312	0.4
71.01247	1.7
71.56894	0.3
72.99192	0.3
85.02853	0.3
88.98701	0.3
89.02303	0.7
96.95833	0.3
101.02337	1.1
113.02324	0.6
119.03386	0.3
120.24421	0.2
125.02291	0.4
161.04475	0.5
161.31229	0.3
167.10732	0.2
167.14296	0.6
169.01320	0.3
183.13835	6.3
184.14331	0.3
193.12215	1.9
199.82709	0.2
211.13336	100.0
212.13663	5.0
235.08250	1.3
253.09224	2.7
387.25330	0.5
429.21268	2.3
430.21616	0.3
447.22372	10.7
448.22681	1.2
623.34222	3.0
624.35114	0.4
641.35516	2.4
642.35651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44654	1.3
59.01250	9.4
71.56297	1.8
73.03938	6.8
88.12692	1.3
95.02340	1.6
96.95889	2.3
104.24622	1.4
112.05023	1.7
113.03439	2.6
115.08620	2.7
125.02364	1.6
129.10213	9.3
130.06099	4.0
137.07104	2.1
139.08661	1.6
140.07080	2.2
141.06540	2.0
147.05287	1.5
151.08646	5.1
154.09743	2.1
155.08150	2.9
168.11252	3.2
169.01410	1.7
169.09747	4.7
172.10799	2.3
183.13840	5.6
186.12379	11.3
193.12329	2.0
197.16548	1.8
207.14938	3.8
211.13342	90.9
212.13690	4.4
224.17615	3.9
225.13435	2.1
225.15971	2.0
228.17065	2.5
228.60883	1.4
229.12833	1.7
242.18623	6.3
243.14499	3.3
253.09261	2.5
281.19797	6.0
299.20746	4.5
324.20541	1.9
342.21283	2.7
356.23068	3.7
394.28314	1.4
398.27661	5.0
412.29172	1.8
447.22287	14.2
478.32895	2.0
485.68924	1.5
495.29190	2.0
512.31860	4.6
526.33667	2.4
568.37976	1.8
577.44122	1.9
623.34509	2.6
721.46173	100.0
722.46436	16.6
779.32019	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	761.1566
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
56.83598	0.1
59.01241	0.2
63.02259	2.0
65.00190	3.9
83.01251	2.5
93.03321	0.5
94.92616	0.2
107.01263	6.9
107.99203	0.1
109.02824	1.0
121.02834	5.8
122.03162	0.2
123.00774	0.5
125.02348	1.1
139.03862	0.3
149.02332	0.6
151.00262	25.4
152.00598	0.9
159.04437	0.3
161.02321	0.3
162.98984	0.2
163.00240	1.1
163.03889	0.3
164.01077	0.4
169.01318	2.6
173.06021	0.2
178.99771	12.5
180.00072	0.6
185.05933	0.2
187.03934	0.5
192.00584	0.3
193.01279	0.5
201.05484	0.4
211.03934	0.5
227.03426	0.4
229.04980	1.0
239.03307	0.2
242.60939	0.2
245.04462	0.7
255.02980	1.1
256.03503	0.4
257.04495	0.5
271.02368	0.7
272.02682	0.2
273.03983	1.6
283.02432	0.5
289.32690	0.2
299.01978	0.2
300.02701	1.8
301.03494	100.0
302.03824	7.1
459.11404	6.1
460.11780	0.6
609.14545	0.7
729.50061	0.2
761.15698	1.5
762.15558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	19.9
82.75920	17.4
96.34415	12.6
98.20669	30.6
108.40264	13.9
134.63155	12.4
185.11751	93.2
211.13321	86.9
262.35013	13.3
265.10852	12.5
277.21652	100.0
278.21899	16.4
336.27829	14.8
447.22253	17.4
516.90228	16.8
761.41681	54.6
778.50311	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	761.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10746	9.0
89.07050	12.2
123.26444	11.7
130.41202	10.8
171.96663	10.1
185.11760	34.1
211.13339	35.8
219.10207	14.2
229.25079	10.7
247.09625	12.5
265.10626	23.1
277.21719	100.0
279.48712	10.1
288.59750	11.5
513.30682	16.2
532.76691	11.4
625.25256	11.0
659.74182	12.0
761.42719	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	0.5
83.01250	0.3
89.49972	0.2
89.79012	0.2
107.01266	0.3
117.03291	0.2
121.02858	0.2
133.02856	0.2
137.02321	0.2
145.02834	0.8
147.04411	0.2
151.00270	1.3
152.00632	0.4
153.00806	0.3
154.89990	0.2
157.02869	0.8
161.02347	0.2
163.03894	0.3
164.00996	0.2
169.01294	0.2
173.02370	1.3
178.99831	0.9
185.02362	2.5
189.01884	0.4
199.00282	0.2
200.01132	0.3
201.01843	1.9
205.62938	0.2
214.02577	0.5
215.06042	0.2
217.01450	0.5
226.99889	0.4
229.01358	3.2
238.84908	0.2
242.02078	0.4
243.02721	0.2
245.00870	1.5
254.99249	0.3
257.00845	1.5
259.02426	0.4
270.01727	0.5
271.02448	2.5
272.02866	0.2
273.00330	0.4
283.99640	2.9
285.00040	0.3
287.02032	1.2
299.99130	2.7
300.99884	100.0
301.97577	0.1
302.00223	6.0
302.03790	1.7
303.04001	1.4
304.04245	0.8
316.02222	7.8
317.02908	2.1
318.03461	0.2
462.12830	0.2
463.08798	11.9
464.09073	1.2
489.61224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48486	3.6
57.90850	4.5
59.01250	6.3
63.15798	3.6
65.22251	4.3
78.95808	8.6
91.90434	3.6
93.33102	4.0
96.95905	9.2
102.56738	3.7
118.75897	4.0
192.90070	3.9
209.11766	71.2
227.12869	14.1
235.08173	9.0
253.09331	9.6
277.21692	100.0
277.24445	7.4
278.22034	9.9
386.09909	4.9
451.87363	4.3
476.98795	4.5
759.40942	23.8
760.41229	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	759.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34741	18.1
57.43919	18.1
70.87563	38.5
70.87930	40.4
78.95750	21.3
80.96385	40.3
91.14359	18.8
96.95874	51.8
123.74717	20.8
150.52420	18.0
150.56985	20.1
154.28981	20.4
199.13275	29.8
203.85149	17.1
209.11751	79.1
209.50900	17.2
227.12878	40.1
277.21701	100.0
278.22049	23.4
602.27252	18.9
759.41052	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60098	16.2
69.41727	16.0
78.95801	21.0
96.95881	19.0
98.19784	43.6
110.30987	20.7
171.10172	22.4
178.93584	20.8
199.13405	22.2
200.47934	16.2
209.11723	39.7
227.12834	48.0
277.21674	100.0
366.26843	16.4
643.92181	19.7
759.42212	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97897	2.6
65.00188	2.3
70.99471	5.4
71.86491	1.4
95.01245	5.2
96.95879	4.4
97.35477	1.3
98.98980	53.3
110.82636	1.5
112.93581	2.1
123.00770	21.1
126.98488	42.8
141.01868	1.6
145.02818	2.1
154.97981	20.2
156.99568	4.4
161.02237	1.6
166.99734	12.2
169.96716	1.8
182.97491	54.4
189.01839	2.4
198.96999	100.0
199.97404	3.6
200.98557	96.8
217.01340	2.6
228.85017	1.5
229.76788	1.8
232.77724	1.5
245.00903	4.4
247.02495	3.0
270.98822	2.8
273.00296	7.5
291.01492	1.6
298.98248	2.7
299.99060	1.9
300.99789	4.7
477.01837	1.6
479.04379	2.9
633.02222	1.9
645.01947	6.5
661.01355	4.0
663.02960	7.7
679.02533	3.3
760.99689	6.1
761.99976	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	760.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97908	1.0
65.00185	2.6
69.41046	6.5
69.56606	0.7
69.91172	0.7
70.99474	5.2
78.87715	0.7
83.41721	0.8
86.98956	1.2
88.44958	0.8
95.01269	5.2
96.95896	3.9
98.98982	50.6
112.93630	0.9
123.00772	23.5
126.98492	36.2
139.00246	1.1
141.01828	1.4
145.02872	1.6
152.96333	1.1
154.98001	18.0
156.62805	0.8
156.99544	2.2
161.02295	1.2
163.00272	1.0
163.03807	1.0
166.99783	11.3
172.72145	0.9
173.02321	0.9
180.95908	1.1
182.97517	47.8
183.97775	2.4
189.01814	1.4
191.03432	1.2
198.97018	100.0
199.97400	3.5
200.98579	74.3
201.01640	2.5
201.98853	2.4
214.99902	1.0
217.01358	2.1
229.01297	1.7
243.02939	0.8
245.00926	3.2
247.02402	3.5
270.98889	2.0
273.00287	5.8
298.98343	2.7
299.99182	1.6
300.99811	2.8
330.44916	0.8
461.03177	0.9
479.04553	3.7
601.02985	1.2
645.01758	8.5
646.02142	1.4
661.01843	5.7
662.01025	0.9
663.02850	5.9
679.02203	3.2
742.98376	4.5
760.99719	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	759.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21199	2.4
59.01252	2.6
60.49973	2.7
71.01283	3.1
71.56833	2.4
83.31813	2.2
85.02841	2.6
88.98665	2.9
89.02344	2.9
95.01279	3.2
96.95907	7.9
107.01318	2.3
109.02806	2.6
119.03297	2.2
121.02847	8.4
123.00747	6.1
125.02350	10.5
135.04387	4.7
136.00615	3.8
136.01561	29.8
137.02336	22.7
139.00270	2.9
149.02344	3.6
150.03122	4.5
151.00264	9.4
151.03923	38.9
165.01842	100.0
165.05498	5.3
166.02638	20.0
166.99847	3.3
167.03366	2.3
169.01338	9.2
175.03922	2.9
177.01848	3.7
179.03452	22.7
180.04192	62.3
181.04977	29.2
182.97568	2.1
190.06363	3.9
193.04869	3.1
194.05795	3.2
195.06555	83.7
196.06892	2.4
202.31784	2.3
210.05264	17.9
225.07649	75.4
245.00887	3.0
301.00024	10.5
302.00262	2.9
323.16177	2.5
357.09564	5.8
357.13391	8.5
372.12061	5.5
386.13763	3.5
387.14529	73.9
388.14804	5.0
565.20807	70.8
566.20917	8.0
605.20929	3.0
613.22760	22.4
614.23053	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	759.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21199	2.4
59.01252	2.6
60.49973	2.7
71.01283	3.1
71.56833	2.4
83.31813	2.2
85.02841	2.6
88.98665	2.9
89.02344	2.9
95.01279	3.2
96.95907	7.9
107.01318	2.3
109.02806	2.6
119.03297	2.2
121.02847	8.4
123.00747	6.1
125.02350	10.5
135.04387	4.7
136.00615	3.8
136.01561	29.8
137.02336	22.7
139.00270	2.9
149.02344	3.6
150.03122	4.5
151.00264	9.4
151.03923	38.9
165.01842	100.0
165.05498	5.3
166.02638	20.0
166.99847	3.3
167.03366	2.3
169.01338	9.2
175.03922	2.9
177.01848	3.7
179.03452	22.7
180.04192	62.3
181.04977	29.2
182.97568	2.1
190.06363	3.9
193.04869	3.1
194.05795	3.2
195.06555	83.7
196.06892	2.4
202.31784	2.3
210.05264	17.9
225.07649	75.4
245.00887	3.0
301.00024	10.5
302.00262	2.9
323.16177	2.5
357.09564	5.8
357.13391	8.5
372.12061	5.5
386.13763	3.5
387.14529	73.9
388.14804	5.0
565.20807	70.8
566.20917	8.0
605.20929	3.0
613.22760	22.4
614.23053	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	1.1
59.01249	14.8
71.01250	89.1
71.56258	1.2
73.02797	2.9
78.95785	2.6
83.01232	1.2
83.04930	1.3
85.02817	1.6
87.00777	1.8
89.02325	3.3
92.88665	1.4
96.95886	2.1
97.02827	2.5
99.00750	2.3
101.02343	6.3
103.02095	1.2
109.06470	9.2
109.97314	1.2
112.93607	1.3
113.02320	2.3
125.09595	2.5
127.11205	2.7
133.49040	1.3
135.07881	1.4
137.09648	2.1
139.80557	1.3
155.10693	2.4
161.04431	1.9
163.11203	5.6
165.09166	1.4
171.10168	100.0
172.10558	5.8
181.08591	1.6
181.12274	2.6
181.66751	1.3
185.43169	1.2
199.09679	19.0
199.13310	4.0
201.11249	22.5
207.10179	22.2
225.11273	15.7
243.12411	3.0
253.09282	12.2
277.21695	71.3
278.22034	7.1
363.45517	1.3
388.57571	1.2
388.62744	1.2
401.57468	1.3
435.18750	4.7
461.20410	4.4
479.20947	1.8
550.74884	1.4
721.41760	4.0
722.43292	1.8
739.43109	3.2
757.43854	14.2
758.44550	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37609	0.9
58.99602	0.8
59.01250	8.1
71.01253	88.4
72.01597	1.4
73.02821	2.3
78.95805	1.8
85.02828	1.4
87.00709	1.3
89.02310	1.3
94.63556	1.0
96.95875	1.5
101.02332	3.2
109.06483	2.7
113.02354	1.7
125.09589	1.7
127.11153	2.0
130.72900	1.0
135.07986	1.1
161.04509	1.1
163.11179	1.7
171.10176	50.2
172.10487	2.5
193.59537	1.0
199.09660	6.1
199.13368	1.7
201.11189	6.5
207.10204	7.8
225.11288	7.3
235.08205	4.9
236.62961	0.9
253.09241	8.3
277.21722	100.0
278.21985	8.7
461.19977	1.5
721.42438	1.6
739.42407	1.5
757.43518	9.5
758.44312	1.4
768.00403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79280	0.9
59.01251	5.3
70.62096	2.0
70.62468	2.0
71.01252	4.2
78.95747	1.9
83.04894	3.8
85.02863	1.0
89.02332	2.0
99.22255	1.0
101.02303	2.6
113.02316	1.9
120.24381	0.9
122.01826	1.2
125.70878	0.9
153.02927	0.9
163.11177	3.5
165.12775	1.1
209.11768	100.0
210.12152	5.2
227.12871	12.3
235.08217	2.4
253.09248	7.6
259.15448	1.6
277.21719	58.4
278.22150	6.2
339.13885	1.3
409.53641	1.1
755.41565	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	757.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94122	1.1
65.00182	1.2
67.01766	3.2
68.99303	0.9
69.03319	3.8
70.13305	4.9
71.01250	2.6
79.01807	2.5
83.01266	1.2
84.44706	1.0
85.02848	1.8
87.00762	1.7
93.03301	1.2
95.01263	10.7
96.95897	2.9
97.02810	3.1
107.01283	15.0
111.00777	5.0
122.25970	0.9
123.00760	26.6
124.01585	9.7
125.02336	98.0
126.02666	3.7
127.00282	2.1
136.98668	3.5
139.00266	7.0
139.03888	4.0
140.01062	6.3
141.01778	1.2
147.04332	1.2
149.02290	1.6
151.00269	4.7
154.99799	1.2
159.50909	1.0
161.02338	1.5
163.03888	1.1
166.99756	9.0
167.03343	1.2
168.00554	11.7
169.01334	100.0
170.01649	4.5
175.03951	1.1
181.01379	1.7
182.97514	2.7
183.02896	3.5
193.01254	1.3
201.93365	1.0
203.03442	1.3
229.01439	1.1
237.04016	1.3
245.00650	1.1
262.07376	1.2
295.04529	1.6
300.99835	4.0
302.00452	1.1
313.05594	4.1
347.72217	1.3
435.09329	3.5
449.07001	1.4
453.10501	7.3
454.10681	1.3
587.10327	19.0
588.10938	1.7
605.11444	30.5
606.11908	4.1
757.12524	66.0
758.12878	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	757.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18757	0.7
68.29189	0.6
71.01247	11.2
79.95622	0.9
95.01180	0.9
98.19797	2.8
109.02838	2.0
112.71373	0.7
115.00251	6.1
117.03352	4.7
119.04906	1.2
121.02796	1.6
125.02320	1.5
133.01344	4.9
133.02841	12.1
134.03630	43.3
135.04259	0.9
137.02353	1.6
138.95164	1.4
139.14047	0.9
140.94748	1.3
145.02835	0.8
147.04395	1.4
148.01518	0.8
149.02275	1.7
149.05984	4.8
151.00255	0.8
161.02332	1.9
163.00308	1.6
163.03873	3.4
165.01820	2.2
169.01297	1.2
173.02339	1.1
175.03899	3.2
177.01849	1.6
178.02557	3.5
189.01852	0.9
191.03439	3.0
193.04988	68.3
194.05276	2.7
199.03979	1.4
201.01807	1.5
203.03636	0.9
212.04646	0.9
213.05499	0.9
215.03320	0.8
223.04065	0.8
225.05573	1.5
229.01521	1.0
229.62440	1.0
231.02556	0.9
240.04256	1.0
241.04858	1.0
243.02841	1.0
247.02409	1.8
253.05038	1.4
255.02939	1.0
256.03778	0.9
273.00522	1.2
284.03250	8.4
285.03976	6.4
297.04028	15.4
298.04773	9.8
299.05600	16.9
300.99847	1.9
309.06155	3.4
311.05527	2.7
327.05078	100.0
328.05466	8.3
339.05096	3.2
357.06174	27.5
358.06528	1.8
369.06110	2.8
393.06012	1.3
433.43024	0.7
447.09277	97.3
448.09656	9.1
593.30743	0.8
652.51770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13853	84.5
71.87331	15.7
72.94737	17.1
73.97159	19.9
76.22972	18.5
77.42073	17.2
77.57304	18.2
78.95770	39.4
86.88728	17.6
90.78166	16.7
100.98179	20.0
103.08887	19.6
104.44357	17.7
132.94054	19.6
134.72444	19.5
181.12234	24.0
207.10181	44.9
225.11284	100.0
277.21661	89.0
461.20068	62.1
721.41406	35.9
742.24695	23.2
757.39600	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	13.5
71.01264	11.9
75.00741	17.2
78.95778	27.8
80.96358	10.0
87.47568	9.2
152.99417	12.5
167.64320	11.8
170.32954	10.0
199.13210	13.6
207.10017	16.0
225.11212	52.9
277.21756	100.0
278.22348	12.4
365.43085	10.7
443.19424	12.1
590.36731	11.5
721.41766	39.9
757.39465	90.9
758.39581	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28777	0.7
59.01254	7.9
63.56080	0.8
71.01254	72.0
71.13907	1.4
73.02811	1.9
77.12888	0.7
78.95773	1.8
79.44084	0.8
79.95583	1.0
85.02820	1.5
85.17292	0.8
87.00761	2.2
89.02326	2.3
96.95920	1.6
97.02856	1.6
101.02335	3.4
109.06467	2.8
113.02352	2.5
114.52913	0.7
118.89243	0.7
125.09601	1.4
127.11145	1.2
133.06766	0.9
152.99541	0.8
157.20901	1.0
161.04483	1.6
163.11166	2.2
171.10184	38.3
172.10585	1.4
181.08560	1.2
181.12381	1.6
197.11693	0.8
199.09697	11.2
199.13467	1.8
201.11284	8.2
207.10219	12.1
208.10445	0.8
225.11244	8.9
235.08141	4.4
253.09291	10.1
277.21716	100.0
278.22018	8.4
624.99634	1.0
715.63000	1.3
721.41406	2.3
739.42603	2.5
757.43689	10.0
758.43665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00197	1.1
59.01247	10.4
65.66745	0.5
68.99691	0.5
70.42957	1.1
70.43358	0.9
71.01251	100.0
72.01589	1.3
73.02818	1.3
85.02852	1.1
87.00748	1.4
89.02304	3.1
95.01287	0.6
99.00780	1.1
101.02296	3.2
109.06471	3.1
113.02328	2.0
125.09621	2.2
125.86254	0.5
127.11174	1.6
140.22923	0.5
145.04938	0.9
152.99483	0.7
155.10657	1.0
161.04449	1.6
163.11186	2.1
171.10176	69.8
172.10533	2.4
179.05554	0.8
181.08624	1.4
181.12219	1.5
185.11829	0.5
199.09708	9.3
199.13367	0.8
201.11292	9.0
202.61349	0.6
207.10201	11.4
207.12155	0.8
215.12881	1.0
225.11298	8.2
226.11618	0.7
230.82210	0.5
235.08163	3.8
243.12465	1.1
253.09279	10.1
277.21713	87.4
278.22092	7.5
309.24362	0.5
375.70779	0.6
435.18231	1.0
461.20230	1.7
695.65674	0.7
721.41699	2.3
722.42841	0.7
739.43042	0.8
757.43628	10.9
758.44366	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01249	6.6
69.03320	0.7
70.85536	0.8
71.01258	4.1
72.99162	0.4
73.02816	1.0
80.02541	1.3
81.03333	1.1
83.04899	5.2
84.02020	0.9
85.02811	1.1
87.00746	0.9
89.02322	2.5
95.01241	0.5
95.04906	1.2
96.95854	0.8
97.02815	2.2
97.06454	0.5
99.00716	0.4
101.02314	4.3
109.06477	1.5
111.08038	4.4
113.02325	2.2
119.03403	0.9
125.02309	0.6
125.09637	0.8
127.07558	0.4
127.11160	0.5
137.09624	0.8
143.03310	0.4
153.12724	0.6
161.04446	1.6
163.11188	4.5
165.12749	3.8
167.10768	0.4
169.01128	0.4
169.12210	2.1
171.10156	4.8
181.12270	1.7
183.13824	1.0
185.11740	0.8
191.10600	0.5
193.12256	0.9
197.11761	22.7
198.12047	0.9
199.13326	2.5
201.11191	0.8
207.10202	1.7
209.11760	100.0
210.12094	5.0
211.13336	12.6
212.13641	1.2
223.13361	0.6
225.11234	2.1
227.12830	12.9
228.13260	0.5
235.08171	2.9
239.12427	0.4
247.05559	0.4
247.20590	0.8
253.09262	13.4
254.09692	0.4
263.20169	0.8
273.18539	0.7
291.19659	16.8
292.20041	1.4
293.21158	4.0
309.20694	40.6
310.21097	3.0
316.02350	0.5
325.20264	3.6
347.04581	0.4
445.20636	0.7
446.21573	0.4
545.29395	0.6
596.35974	0.4
694.42645	0.4
743.03510	0.4
755.42279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	13.5
61.86897	3.0
65.72878	3.0
67.61616	2.7
71.01240	3.6
71.55753	4.6
78.95749	3.6
89.02298	3.4
89.23734	4.0
102.46510	2.5
151.11128	4.1
160.03639	2.8
169.12250	100.0
169.13644	6.3
170.12579	6.7
171.10172	22.7
176.06415	3.1
197.11848	4.4
235.08160	4.6
235.92012	3.0
253.09203	6.3
277.11017	3.6
277.21707	73.9
278.22043	6.9
316.36499	3.2
387.29260	3.1
405.21292	6.5
469.92435	3.0
498.84088	3.9
709.41406	12.8
727.43024	8.7
755.42065	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	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99569	0.3
59.01261	1.4
62.41624	0.3
71.01242	1.5
71.56552	0.4
72.99187	2.7
73.99511	0.4
75.00746	100.0
76.01093	1.0
77.65134	0.3
88.50972	0.3
89.02311	0.9
96.95867	0.3
101.02330	0.8
106.05018	0.3
113.02339	0.5
119.03423	0.3
125.02347	0.7
161.04437	0.5
168.92612	0.4
169.01385	0.3
181.14452	0.3
211.13335	0.3
223.13472	0.6
235.08258	0.9
277.21719	3.5
278.22424	0.4
293.21350	0.3
293.49310	0.3
305.08661	0.4
397.13467	6.7
398.13977	0.6
399.44653	0.3
415.14377	2.0
434.39578	0.3
624.24762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.2
59.01251	1.1
69.66103	0.1
69.66422	1.0
71.01250	1.3
72.99181	2.9
73.02820	0.2
73.99509	0.2
75.00746	100.0
76.01084	1.1
82.46964	0.1
85.02805	0.2
87.00711	0.2
89.02317	1.1
95.01269	0.2
96.95895	0.2
97.02816	0.2
98.19844	0.2
101.02309	1.0
113.02340	0.4
119.03423	0.3
125.02353	0.4
128.98393	0.2
143.03371	0.3
167.72054	0.1
179.05443	0.3
192.98370	0.1
218.69560	0.1
221.11852	0.2
234.38861	0.1
235.08228	0.5
253.09254	0.2
277.21716	3.5
278.22101	0.3
287.07877	0.2
293.21362	0.2
305.08725	0.2
323.09686	0.2
397.13464	5.8
398.13907	0.4
415.14542	1.9
712.90039	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	753.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00180	0.6
69.44610	2.8
69.45037	1.4
74.02349	0.5
83.01276	0.5
91.79898	0.4
102.85311	0.5
107.01253	0.9
109.02835	0.9
124.01558	2.0
125.02349	0.8
135.03365	0.4
136.01566	0.7
137.02324	2.3
151.00291	5.4
163.00259	1.1
164.00960	0.9
165.01753	0.6
169.01204	0.8
178.76193	0.5
178.99788	5.6
190.99889	0.5
204.04303	0.6
211.00655	0.4
214.02637	4.8
217.01419	0.7
222.40375	0.4
224.27457	0.5
229.01050	0.5
232.03804	0.6
242.02122	4.6
243.02917	2.0
244.03499	0.5
245.09267	0.6
247.02388	0.8
259.02432	4.5
270.01730	5.0
271.02472	26.0
272.02798	1.2
273.00415	0.5
287.01953	15.5
288.02383	1.5
291.01361	0.7
299.98364	0.6
316.02228	75.2
317.02875	16.2
318.03323	0.5
454.07913	0.5
463.08804	100.0
464.09088	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	755.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
67.64571	0.1
69.31147	0.4
69.31580	0.5
69.51500	0.1
71.01241	0.3
72.99112	0.1
77.81652	0.1
79.95607	2.9
80.96388	0.2
84.89343	0.1
88.98696	0.1
89.02317	0.2
95.01270	0.3
96.95888	100.0
97.02847	0.1
97.95824	0.4
98.20603	0.2
101.02305	0.2
111.00725	0.2
113.02345	0.1
117.03363	0.1
122.25367	0.1
123.00778	0.6
125.02335	1.1
127.94320	0.1
139.00362	0.2
140.01057	0.1
140.64792	0.1
150.03117	0.2
151.00200	0.2
165.05466	0.3
166.99780	0.4
168.00552	0.1
169.01335	1.5
188.11063	0.2
205.04868	0.1
209.11623	0.1
270.98822	0.1
299.99036	0.1
300.99826	0.4
332.09006	0.3
333.09851	0.3
345.09738	0.2
481.15067	0.5
493.14871	0.2
504.07254	0.3
511.16022	0.2
519.10168	0.1
537.10718	0.2
549.10931	0.2
579.11804	0.1
657.21893	1.2
658.22479	0.2
695.16284	0.2
695.38593	0.4
696.17346	0.1
713.62799	0.1
719.14532	0.4
755.26501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1418
Annotation	Pachyrrhizin (Euphorbia)
Peak:m/z	Relative Intensity
60.30352	0.3
62.28003	0.2
63.02261	2.2
65.00182	4.3
71.56010	0.2
71.73899	0.2
83.01254	3.1
93.03333	1.0
107.01266	9.3
109.02764	0.3
113.02346	0.3
116.54210	0.3
120.52091	0.3
121.02837	8.6
122.03165	0.3
123.00758	0.9
125.01569	0.3
125.02301	1.8
139.00209	0.4
139.24689	0.3
149.02348	1.0
151.00270	40.6
152.00638	1.1
159.04358	0.3
161.02353	0.5
163.00243	0.8
163.03854	0.6
164.01036	0.5
165.01900	0.6
169.01329	6.1
178.99782	19.1
180.00125	0.7
192.00581	0.4
193.01340	1.1
227.03424	0.4
228.04065	0.3
229.05080	1.1
239.03267	0.3
243.03130	0.5
245.04492	0.9
255.02937	0.5
257.04556	0.7
273.00699	0.4
273.04010	2.3
275.01639	0.4
299.02118	0.4
300.02667	2.0
301.03506	100.0
302.03833	6.8
313.05615	5.2
314.44977	0.3
433.07721	69.4
434.08038	6.2
467.94830	0.3
532.76416	0.3
615.09814	4.0
616.10107	0.5
747.13892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.8
57.03314	1.8
58.00468	4.6
59.01248	100.0
60.01577	1.1
61.98689	3.6
68.94562	0.7
71.01253	80.3
71.10053	1.4
72.01584	0.8
72.99184	8.7
73.02831	1.6
75.72014	0.8
83.01250	3.6
84.02020	0.7
85.02824	13.3
87.00755	4.8
89.02316	89.5
90.02658	1.6
93.03346	1.7
94.36395	0.8
95.01260	7.7
96.95911	2.2
97.02825	0.9
97.66890	0.6
99.00808	1.0
101.02319	51.1
107.01302	0.9
109.02845	0.8
113.02328	32.6
114.02639	1.8
119.03387	41.8
120.03714	0.9
121.02864	5.1
122.03643	6.4
123.00777	1.9
123.04426	0.7
125.02300	3.3
129.80330	0.8
131.02510	1.1
131.03375	6.0
132.02115	0.9
133.01329	0.8
133.02872	1.0
133.33098	0.7
136.01550	1.9
137.02383	0.7
143.03433	7.1
149.02356	15.6
149.04343	3.9
150.03131	43.0
151.00328	2.8
151.03551	1.6
160.01582	0.9
161.04460	6.6
164.04733	2.7
165.05478	37.4
166.05846	2.0
166.99756	1.6
169.01357	3.6
170.03796	0.8
175.03972	0.8
178.99847	2.0
179.05527	14.8
179.06963	1.2
180.04178	1.8
180.07780	0.8
195.04787	1.7
195.06560	26.8
196.06900	0.9
237.24573	0.8
245.00781	1.1
257.11902	1.1
270.09100	2.1
270.98938	1.4
273.00381	1.0
285.11465	2.2
298.08545	2.3
300.99948	2.8
301.03574	7.5
302.03857	0.7
310.08502	1.3
311.09286	1.7
313.11014	2.3
324.10028	1.4
325.10837	1.9
326.08041	1.7
326.11591	1.6
339.12473	1.1
341.10236	17.2
342.10815	2.0
356.12772	7.5
357.13257	1.2
371.14938	31.0
372.15469	3.8
489.98987	0.7
519.20282	13.5
520.20679	1.8
558.07843	0.9
585.23822	1.5
729.14325	1.0
747.16431	1.1
747.28186	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	747.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.0
58.00465	5.3
59.01250	96.3
61.98704	13.7
71.01250	84.6
71.56336	2.2
72.99181	7.3
73.02824	2.7
74.81778	1.5
78.95796	2.8
83.01257	1.7
85.02818	12.8
87.00731	4.7
89.02315	100.0
92.04303	1.4
93.03350	3.7
95.01258	5.9
96.95897	4.2
101.02319	44.3
110.74841	2.0
113.02333	32.2
118.97953	6.0
119.03392	39.5
119.47650	1.5
120.01139	4.2
121.02821	4.3
122.03619	11.2
123.00760	6.8
125.02313	8.6
131.03369	3.9
137.02345	2.5
143.03397	7.4
149.02336	17.6
149.04466	3.6
150.03131	67.5
160.01436	2.4
161.04434	5.9
163.03899	2.0
164.04723	2.8
165.05490	54.0
166.05875	1.5
166.38181	1.3
166.99753	4.3
169.01302	12.8
177.01826	2.3
179.05536	16.4
180.04179	2.8
189.01810	2.5
195.06570	32.6
205.05028	1.9
233.00931	1.5
236.97095	1.6
245.00888	1.9
247.02530	1.9
257.11850	1.8
270.98737	2.2
273.00348	2.6
275.02036	2.1
285.11203	3.2
298.08359	2.9
298.98471	4.0
299.98868	2.5
300.99893	11.1
313.10690	2.9
325.10791	2.1
326.07892	2.8
331.04501	1.6
337.72284	1.4
341.10239	22.2
342.10797	2.2
354.07782	1.5
356.12527	6.0
371.14938	36.0
372.15320	4.1
375.13611	1.6
409.46783	1.4
519.20197	2.4
530.94318	1.7
544.01135	1.5
601.22888	2.3
698.52191	1.7
729.13422	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	743.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80897	3.3
71.47446	7.0
73.86392	3.6
78.95767	42.0
82.53384	3.6
87.33527	3.6
96.95903	7.0
96.96861	3.8
97.70554	3.5
109.33632	3.7
152.99496	29.0
171.00499	5.8
171.10202	5.5
173.06696	3.8
211.13286	9.0
221.49393	3.9
255.23276	100.0
256.23566	4.3
277.21719	38.5
278.22009	3.8
279.23352	10.4
440.55878	4.2
487.24936	4.4
507.27133	4.8
743.48816	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41425	0.2
59.01246	1.2
69.98635	1.0
69.99052	0.6
77.70724	0.3
78.95779	24.4
79.95602	0.4
94.92395	0.5
96.95889	0.7
96.96851	2.4
98.19889	0.3
113.51745	0.3
114.80402	0.3
130.91095	0.3
152.99498	19.4
153.99870	0.8
154.99937	0.4
171.00566	3.7
202.85904	0.3
209.02165	0.6
227.03197	1.1
237.22079	0.3
253.21703	1.4
254.22054	0.9
255.23273	100.0
256.23618	7.4
275.20279	0.4
277.21722	37.5
278.22083	6.1
279.23010	2.1
297.20471	0.4
391.22577	0.4
413.20950	3.1
414.21149	0.5
465.26324	0.8
483.27444	0.6
487.24609	1.8
488.24924	0.3
505.25775	3.0
506.26056	3.1
507.26407	4.2
595.89056	0.3
602.14386	0.4
690.91309	0.3
743.48608	39.8
744.48975	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	745.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11112	1.3
54.43853	1.4
68.97290	1.4
69.91906	3.7
69.92298	3.0
91.53685	1.4
95.01260	2.9
98.98981	10.5
111.74074	1.6
119.08365	1.5
122.21985	1.4
122.71724	1.3
123.00797	8.6
125.02274	2.6
126.98470	6.1
137.22890	1.7
145.02776	1.6
153.45206	1.3
154.97971	2.8
157.24312	1.5
162.78418	1.4
163.03922	2.4
166.99770	5.8
169.01303	2.1
182.97499	23.8
183.84238	1.4
189.01906	1.5
191.03474	3.0
198.96983	3.9
200.98572	15.1
201.01817	3.7
203.03404	2.3
213.01802	1.4
217.01427	1.7
229.01306	7.2
231.02942	2.6
245.00832	5.1
247.02461	2.5
257.00873	2.9
273.00415	5.5
274.01163	3.1
275.01959	15.5
276.02567	1.7
276.98349	1.8
287.01727	2.1
298.98294	4.3
299.99014	3.4
300.99881	100.0
302.00336	7.8
302.95908	3.2
332.96973	2.3
424.20432	1.8
445.04297	2.2
463.05261	4.0
533.43390	1.6
613.04785	6.1
631.05505	8.5
635.03790	2.9
645.01526	1.8
663.03015	28.2
664.03284	6.7
665.04510	50.6
666.04565	8.9
682.38300	1.7
745.00195	10.8
746.00647	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	745.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25591	4.6
55.81144	4.3
59.01223	5.4
71.55933	6.0
84.31836	4.4
98.98963	6.8
111.76086	4.7
125.02390	8.7
139.23346	4.2
145.02963	5.9
161.02217	4.4
173.02347	5.9
177.00165	6.6
182.97372	5.3
189.01855	7.5
201.01843	6.3
232.98973	5.3
233.34369	4.4
235.81496	4.6
245.00783	9.1
246.96988	4.8
249.10098	4.5
270.98837	10.6
273.00433	8.5
274.96365	7.0
276.97955	6.3
298.98288	5.6
299.99014	41.1
300.99890	22.5
302.95984	12.1
309.07925	4.7
330.95422	9.8
331.96207	6.6
332.97153	100.0
344.37177	5.5
423.31085	5.0
453.01584	4.6
635.03522	11.1
663.02985	84.4
664.03314	19.9
665.04272	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
63.02265	1.8
65.00188	1.0
66.06166	0.1
67.01759	0.2
69.03326	0.3
71.01246	0.7
71.36178	0.3
73.02792	0.4
74.66320	0.1
79.01752	0.3
81.03339	0.1
83.01261	1.7
85.02829	0.4
87.00750	0.3
89.02311	0.2
93.03319	1.5
95.01264	0.8
97.02808	0.3
101.02296	0.5
103.03871	0.2
107.01263	5.0
109.02838	0.8
111.00689	0.2
117.03313	0.4
123.00754	3.7
123.04430	0.1
124.01559	0.2
125.02325	4.8
131.04922	0.2
135.00763	0.5
137.02324	0.4
139.00235	0.8
140.01013	0.4
141.01825	0.5
143.04903	0.9
145.02826	0.6
147.00764	0.2
151.00264	8.5
151.03928	0.2
152.00580	0.1
153.01825	0.5
154.04085	0.3
155.04944	0.2
156.05725	0.1
157.06468	0.4
158.03621	0.2
159.04395	0.9
161.02339	0.3
163.00304	1.6
163.06055	0.2
164.01073	0.9
165.01811	0.5
166.99715	0.3
167.04951	0.2
168.00534	0.8
169.01331	10.8
169.06458	0.7
170.01659	0.2
171.04384	0.6
173.05977	0.2
175.03922	0.2
179.03401	0.4
183.04500	0.2
184.05174	0.3
185.05986	1.6
187.03909	1.9
189.05504	0.5
191.03377	0.2
193.01300	0.2
195.04512	0.3
195.99893	0.2
196.05272	0.1
197.05974	0.6
199.03888	0.5
201.05513	0.5
209.04553	0.2
211.02231	0.3
211.02634	0.2
211.03922	0.9
212.04648	0.2
213.05498	1.9
214.02628	0.4
215.03372	0.4
219.02864	0.2
227.03461	1.5
228.03862	0.3
229.04996	6.9
230.05319	0.5
235.02460	0.2
239.03419	0.6
240.04196	0.5
241.05005	1.0
242.05598	0.2
243.02991	0.4
255.02957	0.9
256.03470	0.9
257.04520	6.8
258.04776	0.4
267.02997	0.5
284.03311	1.5
285.04013	100.0
286.04370	7.7
300.99762	0.3
313.05655	0.4
343.67798	0.1
451.67157	0.2
459.11407	34.6
460.11835	3.5
641.98291	0.2
731.75525	0.1
745.16260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50322	3.2
63.02270	5.9
65.00191	14.5
74.34315	4.0
83.01233	7.2
107.01273	25.3
125.02326	14.0
149.02315	6.6
151.00259	80.1
154.61459	3.6
164.01016	6.0
166.98000	7.0
168.99535	16.2
169.01294	21.7
178.99744	11.9
187.03873	4.2
193.01370	60.0
194.97542	16.8
195.98288	54.0
196.99062	24.2
203.03445	12.7
211.02383	8.9
215.03506	8.9
222.97046	12.2
231.02864	5.5
243.02985	4.9
259.02444	26.5
271.02423	11.0
272.98666	30.9
287.01959	43.5
290.99710	3.9
300.97897	31.8
315.01465	100.0
316.02194	99.4
317.02832	9.6
328.97601	94.3
329.98306	11.3
330.99109	38.0
331.06525	17.3
331.99243	3.9
348.96069	7.0
349.00211	85.3
350.00797	5.0
400.15414	3.7
562.10095	4.0
661.04846	31.2
663.06641	71.2
664.06915	10.4
690.98163	4.1
743.02350	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	743.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02260	1.3
63.54380	0.8
65.00197	4.4
71.01258	0.9
83.01251	3.0
87.23491	0.8
89.41959	0.7
89.42640	0.6
95.01250	1.0
97.02873	0.7
98.19738	1.8
98.98975	10.5
107.01255	7.5
109.02834	6.5
112.93580	1.8
123.00771	2.8
125.02342	4.5
126.98470	7.3
137.02335	15.5
148.01666	0.7
149.02332	0.7
151.00275	29.9
152.00656	0.7
154.97978	3.6
163.00279	1.6
165.01726	1.3
169.01331	7.8
173.87581	0.8
178.99777	22.3
180.00121	0.8
182.97499	27.2
183.97865	0.9
190.99759	2.9
192.00523	1.6
193.01358	2.1
194.97395	1.1
198.96938	1.9
199.03947	1.0
200.98528	1.7
201.01936	0.7
203.03380	1.7
207.82813	0.7
211.02379	1.9
215.03442	1.2
220.26488	0.9
228.99657	0.8
231.02895	1.5
243.02989	1.7
258.51706	0.8
259.02444	3.4
271.02359	4.0
272.98569	5.3
287.01932	6.6
288.90991	0.8
299.01785	1.1
300.97839	4.9
315.01443	20.2
316.01941	3.5
317.02988	100.0
318.03268	7.7
321.74503	0.8
327.03595	1.3
328.97598	28.1
329.98068	3.0
330.99127	2.7
331.06674	7.1
343.01257	6.7
344.01550	1.2
345.02856	8.5
361.02274	1.5
424.98615	10.4
479.08292	1.6
547.00482	0.7
629.07990	3.8
661.05042	11.9
662.05426	1.7
663.06714	12.4
664.06964	2.4
743.02240	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	743.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.4
61.98690	1.3
64.05512	0.8
69.51936	6.4
71.01252	1.8
75.77695	0.9
85.02790	1.1
88.98711	0.8
96.95888	5.1
96.96801	0.9
97.02866	0.8
103.88466	0.9
104.51937	0.8
107.01291	1.1
108.02077	1.0
109.02818	1.3
111.00734	1.1
120.71664	0.8
121.02819	3.1
123.00761	4.1
124.01547	1.3
125.02347	5.6
136.01563	44.2
137.02361	8.0
139.00211	1.3
139.03941	1.1
149.02327	1.0
151.00299	8.4
151.03920	63.6
152.00826	1.0
152.04272	2.1
152.99481	1.9
160.05196	1.1
161.02335	1.4
163.03943	1.2
165.01807	1.0
166.01242	1.7
166.02638	33.9
167.03267	3.7
169.01375	5.3
172.05096	1.2
173.02365	1.2
174.03139	1.3
175.03932	1.8
177.01828	3.2
177.05502	1.6
181.04988	48.8
182.05357	3.0
187.03949	1.0
189.05492	1.5
190.02643	1.0
190.06281	2.4
191.03345	1.6
205.04927	3.1
205.08549	1.6
206.05725	2.5
209.11790	1.0
220.07361	1.3
221.08061	7.4
225.11284	2.0
233.08290	1.1
255.23265	1.6
270.98840	0.9
277.21771	1.8
297.07809	1.2
299.99057	1.1
300.99777	3.1
309.07693	1.7
311.09018	1.2
327.08810	1.3
327.12476	1.4
329.10355	1.6
342.11145	4.7
343.11713	1.8
357.09631	11.0
357.13443	30.0
358.09900	1.3
358.13724	3.1
369.13474	3.2
371.15018	2.1
372.12009	13.3
372.49603	0.9
373.12302	1.2
387.14474	100.0
388.15002	9.8
391.13654	1.4
401.15988	1.7
413.08694	1.8
445.10986	0.9
506.25995	1.1
567.22357	10.4
568.22156	1.7
579.22351	1.9
597.23438	42.2
598.23682	5.5
743.26935	1.1
743.49371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.8
61.78316	0.6
61.82487	0.7
70.88478	1.9
73.13815	0.6
78.95776	29.3
84.57746	0.6
96.96861	2.8
104.53747	0.6
152.99483	37.4
171.00519	3.7
191.95184	0.7
227.03162	4.4
253.21709	30.3
254.22098	2.2
255.23212	0.8
275.20386	0.7
277.21710	75.8
278.22058	6.7
413.21130	2.4
487.24356	0.8
505.25714	100.0
506.26099	11.6
741.47137	24.9
742.47900	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	741.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.3
71.56417	0.4
72.45505	0.3
78.95773	24.4
92.92693	0.4
96.96840	1.9
107.40662	0.3
116.97152	0.4
141.01588	1.4
141.33176	0.3
150.97997	0.6
152.99486	24.7
171.00533	1.4
188.98506	0.3
217.00162	0.6
227.03223	3.2
232.97546	1.4
245.04239	0.8
253.21700	32.5
254.22058	1.4
255.23262	0.9
275.20093	0.5
277.21704	40.4
278.21985	3.2
279.23111	0.5
280.23544	0.4
314.89221	0.3
413.20923	2.9
423.43405	0.3
463.24771	0.6
483.27066	1.2
487.24698	1.2
505.25708	100.0
506.26031	9.2
523.29022	0.3
741.47131	23.7
742.47552	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	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.8
61.98696	2.7
64.54501	1.0
71.01252	6.0
71.56721	1.4
73.02789	1.4
78.95783	4.0
79.95616	1.3
80.02530	1.2
81.03316	1.3
83.01260	1.0
83.04903	3.7
87.00751	3.9
89.02321	2.6
89.53471	0.9
101.02322	3.6
113.02315	1.9
119.92175	1.1
125.09599	2.1
127.11221	1.8
152.99498	4.3
161.04474	1.5
163.11200	2.5
165.12798	1.9
171.10184	6.4
172.10519	2.8
179.05495	1.0
179.69901	0.8
183.10184	1.0
191.10651	0.8
201.11250	44.2
202.11629	3.2
207.10161	1.6
208.10631	1.0
209.11768	100.0
210.12079	6.2
225.11284	2.5
226.11552	1.5
227.12852	11.2
235.08234	1.9
253.09253	15.6
253.21732	2.8
277.21716	81.1
278.22079	11.7
279.22537	2.5
383.77853	1.3
437.20129	1.4
443.31479	1.0
445.20938	1.9
504.07071	0.9
505.25668	8.8
522.76727	1.1
545.88715	1.0
741.45880	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	741.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27640	10.1
59.01252	33.4
70.79002	27.5
70.79324	17.3
75.70485	11.0
78.95783	36.2
82.76186	14.5
103.45065	11.7
122.29163	11.2
152.99509	48.1
169.01340	13.5
169.12352	20.0
209.11807	13.6
211.13251	65.2
227.03291	13.8
253.09149	15.5
277.21756	100.0
316.17538	13.9
385.83179	12.1
505.25589	76.4
643.83270	13.7
741.39288	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50375	2.2
59.01238	9.3
61.98692	6.2
71.01267	5.4
71.56916	3.0
71.57298	3.4
73.02831	2.6
78.95767	6.0
79.95602	3.4
85.02830	2.8
88.98672	8.8
95.06792	3.0
96.95892	11.2
107.01257	2.5
107.90318	2.7
125.02303	3.5
161.04530	2.7
169.01335	8.9
209.11774	100.0
210.12111	3.8
227.12866	27.3
235.08153	3.9
253.09253	6.3
273.00372	4.4
297.27856	2.5
300.99802	6.8
327.97421	2.4
445.20667	8.6
469.55841	2.6
663.41589	2.6
741.34772	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	740.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73543	0.2
59.01251	3.6
60.01586	0.4
61.01668	0.2
61.98702	100.0
62.98406	0.2
65.73819	0.2
71.56906	0.2
78.04340	0.2
79.85266	0.2
80.34647	0.2
81.03340	0.8
82.03690	0.3
83.04893	3.0
84.05235	1.0
90.95722	0.2
94.07136	0.2
96.59773	0.1
96.95943	0.2
112.93452	0.2
116.03308	0.2
117.33820	0.2
119.04939	0.7
123.00789	0.3
125.02370	0.3
145.02890	0.4
146.04495	0.4
152.54271	0.2
166.99751	0.2
169.01355	0.4
207.15085	0.3
224.17764	0.3
225.16063	1.4
226.16396	1.2
227.16722	0.6
292.08234	1.1
301.00009	0.6
338.53665	0.2
451.34039	0.2
452.33612	0.6
453.33633	0.8
640.39148	0.2
677.50287	0.3
678.49963	2.9
679.50244	12.1
680.50531	17.6
681.51080	1.0
694.49963	0.2
740.49237	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	741.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.0
61.98695	0.9
65.78857	0.4
69.24555	3.0
69.24987	1.4
71.01285	0.7
75.00743	0.7
77.03839	2.2
77.59109	0.4
78.95792	1.7
89.02328	0.6
96.95914	0.6
101.02356	0.7
104.32284	0.4
121.02847	100.0
122.03206	2.9
122.77557	0.4
125.05103	0.4
141.01595	9.3
152.99518	1.2
165.01845	68.2
165.12874	0.5
166.02203	1.7
169.01425	0.8
169.12079	0.5
171.10352	0.5
181.06548	3.1
183.13783	0.6
191.03488	1.3
199.13339	0.8
205.51463	0.4
209.11752	10.0
210.12090	3.6
211.13354	1.7
212.13770	0.6
220.43459	0.4
223.01994	1.2
225.05493	1.7
227.12865	1.7
228.13220	0.9
235.08302	0.7
253.09389	2.0
253.21783	0.5
254.09656	0.8
275.20129	0.8
277.21719	3.0
293.21201	5.4
294.21600	3.5
309.20502	0.9
310.21008	0.6
313.07257	1.9
357.06149	10.5
383.07358	0.5
505.25699	2.9
741.14740	4.9
741.46289	0.8
742.14709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61705	0.7
55.01760	1.5
57.03325	2.0
58.00446	1.1
59.01250	10.4
69.03321	1.0
71.01253	12.8
71.04884	2.7
71.55958	1.2
72.99162	0.7
73.02814	2.5
78.95767	1.0
81.03363	0.8
81.04118	0.6
83.01212	0.9
83.04897	1.8
83.89281	0.6
85.02802	3.1
87.00735	1.4
89.02325	4.9
93.11017	0.7
95.01302	0.8
95.04891	1.6
97.02841	5.0
97.06472	2.2
99.00755	18.6
101.02323	5.6
109.06485	3.9
110.03568	1.6
113.02327	3.3
119.03394	1.0
123.08055	1.3
125.02310	0.7
125.09610	8.1
127.11205	1.5
135.08107	1.1
135.24422	0.6
142.02477	1.0
143.03368	1.2
153.12715	0.8
161.04472	1.0
161.09630	1.4
163.11195	13.7
171.10181	22.2
172.10455	0.9
179.05473	0.7
179.10638	1.0
180.75290	0.7
181.12267	21.9
189.09190	0.9
193.77242	0.7
197.11775	2.0
199.09575	0.7
199.13326	15.3
200.13783	0.9
201.09538	1.1
201.11264	10.1
207.10190	39.1
208.10545	1.9
215.12975	1.0
216.01495	0.6
217.00137	1.4
224.10008	0.8
224.28041	0.6
225.11270	65.3
226.11621	3.0
231.77020	0.7
235.08211	2.6
243.12331	28.2
244.12669	2.0
253.09236	8.7
259.20496	0.6
277.09238	0.8
277.21710	59.3
278.22092	4.7
279.95804	0.6
293.21341	1.2
295.10175	0.7
314.79968	0.7
425.09555	0.7
461.20291	7.5
462.20551	0.7
479.21323	12.0
480.21539	0.8
603.38330	0.8
721.41669	2.2
739.42694	100.0
740.43018	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.7
63.86783	0.5
71.01255	6.7
73.02814	1.9
78.95773	1.6
83.04865	0.8
83.86562	0.6
85.02831	1.5
87.00729	1.3
89.02323	3.6
95.01260	1.2
95.04910	2.0
97.02835	1.4
101.02315	4.3
109.01598	0.6
109.06467	2.5
110.03622	0.7
111.04367	0.7
113.02363	2.3
119.03423	1.3
125.09640	0.7
127.11201	1.8
143.03423	0.9
152.99466	0.8
161.04468	1.9
163.11230	3.3
169.12323	1.0
171.10185	100.0
172.10533	3.2
179.05544	0.8
179.10739	1.0
181.12369	1.5
189.09138	2.5
197.11784	2.5
199.13339	1.6
201.11234	4.8
207.10197	11.4
209.11746	0.7
225.11273	41.0
226.11636	2.1
229.27094	0.6
235.08185	4.6
243.12292	3.2
253.09259	10.5
277.21707	92.1
278.22089	8.1
279.23019	1.2
407.19009	3.0
443.19354	2.9
461.20224	8.3
597.13562	0.6
599.86511	0.7
721.41913	2.6
739.41522	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
56.06531	1.1
57.03321	1.2
59.01248	13.8
71.01259	14.9
71.04887	2.7
73.02827	2.5
78.95771	3.0
85.02827	3.6
87.00761	1.8
89.02303	4.2
95.04929	1.4
95.17292	1.0
95.55459	1.0
96.27930	1.4
97.02823	4.7
97.06466	1.6
99.00762	10.3
101.02321	5.9
109.06474	2.8
113.02334	4.3
119.03387	1.8
123.08005	1.1
125.09613	7.3
127.11198	1.7
135.08134	1.0
142.02589	1.2
143.03363	1.8
143.47394	1.2
155.10735	1.1
161.04504	2.8
163.11197	9.7
171.10184	26.0
172.10519	1.4
179.05556	1.3
179.10736	1.4
181.12267	15.2
197.11763	4.2
199.13322	22.5
200.13492	1.2
201.11270	10.3
202.11507	1.2
202.92514	1.2
207.10199	42.1
207.12193	2.4
208.10611	1.4
211.96004	1.1
215.12813	1.3
223.72012	1.3
225.11282	81.8
226.11586	4.1
230.12311	1.1
235.08185	5.2
243.12355	13.8
244.12590	1.4
253.09280	9.9
270.87973	1.3
277.21732	90.8
278.22095	9.5
341.07703	1.1
374.10098	1.1
443.19125	3.0
461.20309	11.3
462.20840	1.9
479.20996	3.9
570.09479	1.3
721.41461	6.6
739.42719	100.0
740.43115	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
56.42538	0.7
57.03309	1.7
59.01249	11.2
69.03325	1.2
71.01250	10.5
71.02627	1.7
71.02971	0.8
71.04900	4.2
72.99177	1.1
73.02802	2.2
78.95763	2.5
81.03338	0.8
83.01250	1.5
83.04866	1.3
84.13088	0.7
85.02810	2.0
87.00744	2.7
89.02316	3.1
95.01237	1.0
95.04909	0.7
97.02845	5.5
97.06479	3.6
99.00755	14.6
101.02316	5.7
109.06471	2.1
113.02321	2.8
123.08016	2.1
125.09618	9.0
127.11147	0.9
135.08054	1.2
136.05147	0.9
142.02592	2.0
152.99500	1.2
153.08983	0.7
153.12753	0.7
161.04417	1.2
161.09724	0.7
163.11189	10.2
169.12263	1.2
171.10193	12.0
179.10612	1.0
181.12256	14.3
197.11827	1.8
199.13313	14.0
201.11317	4.9
201.55829	0.7
207.10207	37.5
208.10487	1.6
225.11275	57.8
226.11603	2.3
235.08159	3.4
243.12326	7.2
253.09225	6.0
259.20795	0.7
277.21716	90.2
278.22037	8.4
293.21182	0.8
294.21466	0.7
317.16028	1.0
443.18915	1.4
461.20306	8.8
462.20728	1.2
479.21362	1.3
622.02032	1.1
638.71649	0.9
678.56671	0.8
721.41705	5.9
722.41699	1.0
739.42700	100.0
740.42950	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34768	0.2
57.03319	0.5
59.01248	5.8
61.98703	13.7
66.44486	0.3
69.03314	0.5
70.85500	0.6
71.01248	4.2
73.02821	0.9
80.02553	1.0
80.96432	0.3
81.03341	0.9
83.01254	0.7
83.04898	3.9
84.02039	0.5
85.02822	0.8
87.00748	0.8
88.22874	0.3
89.02310	2.7
95.04899	0.7
97.02811	0.7
97.06483	0.3
99.29066	0.3
101.02322	3.2
109.06471	0.4
111.08049	0.9
113.02370	1.7
119.03390	0.6
121.10088	0.3
124.99577	0.3
125.02351	0.5
125.06002	0.3
135.08026	0.4
161.04393	1.5
163.11217	3.5
165.12701	1.8
167.10611	0.6
169.12257	0.4
171.10191	1.2
177.12695	0.3
181.12273	0.6
183.13821	1.0
185.11780	0.7
191.10732	1.1
193.12259	0.4
193.97353	0.3
195.13855	6.0
196.14272	0.5
197.11792	1.8
199.13290	2.1
209.11768	100.0
210.12128	5.0
211.13329	17.4
211.15404	0.5
212.13686	0.8
218.41098	0.3
223.13348	4.3
227.12837	13.2
227.15128	0.6
228.13306	1.1
235.08168	3.0
253.09264	15.4
254.09581	0.5
256.13156	0.9
275.20163	5.5
291.19666	3.1
293.21219	62.1
294.21564	4.6
309.20728	7.1
328.90070	0.3
445.20694	0.9
447.22278	0.8
492.22415	0.4
670.35541	0.4
739.42737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
60.01593	0.1
61.01677	0.1
61.98700	100.0
62.98405	0.1
71.01246	0.9
72.01580	0.2
72.99189	0.1
73.02818	0.2
83.01270	0.1
85.02835	0.3
87.00765	0.2
89.02303	1.0
90.02676	0.2
95.01291	0.1
97.02858	0.1
98.20582	0.1
99.75578	0.1
101.02336	0.8
102.02674	0.2
113.02298	0.4
119.03420	0.3
121.03870	0.1
125.02354	0.3
138.92212	0.1
143.03391	0.1
161.04552	0.2
179.05623	0.2
209.11781	0.2
211.13417	0.2
225.11316	0.1
227.12860	0.1
235.08257	0.3
236.08432	0.1
237.08861	0.1
277.21701	1.3
278.22018	1.5
279.22299	0.7
280.22708	0.2
289.18286	0.1
291.19666	0.2
293.21368	0.2
397.13480	0.8
398.13788	1.2
399.13965	1.4
400.14206	0.7
415.14590	0.2
416.15042	0.4
417.14987	0.5
418.15488	0.3
425.53329	0.1
497.23969	0.1
661.38312	0.1
750.64081	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83900	0.4
57.03323	0.8
59.01249	7.0
68.97321	0.4
69.03333	4.9
71.01247	6.5
71.04882	1.4
73.02832	1.0
78.95786	0.7
83.01271	1.6
83.04902	0.5
85.02825	1.6
87.00758	0.9
87.54142	0.4
89.02303	2.8
95.04896	0.6
97.02834	1.1
97.06474	0.8
101.02307	4.4
111.04412	0.7
113.02313	2.5
117.33791	0.4
123.08039	1.4
125.09603	2.9
149.09647	0.4
151.11201	3.8
153.12741	1.2
157.95500	0.5
161.04459	1.4
161.09628	4.1
166.16187	0.4
169.12238	4.5
171.10143	0.7
179.10690	8.3
196.98273	0.5
197.11757	49.5
198.12036	3.0
199.69576	0.5
223.09724	2.5
235.08170	1.1
241.10895	2.0
241.12958	0.5
253.09258	3.3
277.21704	65.9
278.22021	5.5
327.79480	0.4
404.93909	0.5
459.18527	1.0
477.19830	1.5
719.40723	0.8
737.41119	100.0
738.41541	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
59.15323	0.1
59.58531	0.1
60.01575	0.2
61.98701	100.0
62.98395	0.1
71.01263	0.9
72.01585	0.1
73.02800	0.1
83.04904	0.1
85.02840	0.2
87.00771	0.2
89.02310	0.7
90.02674	0.1
91.02760	0.1
97.02883	0.2
98.03152	0.1
99.00760	0.1
101.02321	0.6
102.02675	0.1
113.02349	0.3
119.03394	0.2
125.02344	0.2
143.03511	0.1
161.04564	0.2
163.11186	0.1
183.13963	0.1
195.13840	0.1
208.65097	0.1
209.11761	2.7
211.13377	0.4
227.12845	0.4
229.28969	0.1
235.08232	0.2
236.08479	0.1
237.08899	0.1
253.09335	0.4
256.41138	0.1
275.20306	0.1
277.21765	1.1
278.22083	1.1
278.24905	0.1
279.22342	0.7
280.22699	0.2
285.64304	0.1
291.19620	0.2
293.21234	1.5
309.20636	0.2
360.27106	0.1
397.13589	0.6
398.13934	0.9
398.36920	0.1
399.13980	1.2
400.14255	0.7
415.14722	0.1
416.14941	0.3
417.15060	0.4
418.15414	0.3
565.38464	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34131	0.6
55.01768	1.1
57.03316	2.1
59.01256	7.9
69.03337	4.5
71.01262	7.3
71.04903	2.6
73.02829	1.4
75.69991	0.7
78.95789	1.0
83.01244	1.1
83.04907	0.9
85.02821	1.3
87.00777	1.8
89.02325	2.5
95.01271	1.0
96.40250	0.7
97.02832	1.1
101.02316	4.5
111.04450	1.4
113.02346	2.9
119.03352	0.9
123.08055	1.4
125.09604	2.3
143.03461	0.8
151.11200	3.1
153.12737	2.4
161.04465	2.1
161.09654	3.3
169.12239	5.5
171.10172	3.1
179.10696	7.7
195.10161	0.8
197.11766	94.9
198.12103	4.6
205.08609	1.6
209.11708	0.9
216.61130	0.7
223.09724	5.4
229.24608	0.8
235.08167	1.4
241.10831	4.6
252.85216	0.8
253.09270	4.9
255.23279	0.7
277.21729	47.8
278.21994	3.6
459.18625	1.4
477.19705	2.4
719.40326	2.7
737.41125	100.0
738.41516	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	737.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35084	2.0
56.88319	1.8
59.01252	51.8
71.01247	36.0
73.02821	4.4
83.01258	2.3
85.02825	6.4
85.20136	1.8
87.00761	4.5
89.02326	24.4
92.43887	2.1
95.01266	2.6
97.02843	4.9
101.02312	23.9
111.04356	2.5
113.02307	10.3
119.03394	8.0
125.02296	9.5
131.03375	3.2
139.52017	2.0
141.01588	25.3
143.03378	4.2
148.66095	2.0
161.04449	5.3
179.05560	4.0
211.13367	3.3
211.15581	2.3
223.01996	3.9
226.75545	2.3
235.08228	11.1
235.30916	2.2
246.58888	2.1
248.80185	2.2
253.09242	3.6
277.21744	5.4
279.23270	85.7
280.23621	5.7
287.07748	3.9
291.19629	4.1
397.13486	100.0
398.13824	7.3
415.14529	33.1
416.14813	2.6
540.62994	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	737.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	6.2
61.98685	2.0
67.01743	7.9
69.03301	5.4
69.73421	1.6
71.01270	11.2
71.56456	2.1
72.99126	2.0
75.83638	1.6
76.99364	1.4
78.95746	3.3
79.01765	9.3
79.95598	4.6
80.96377	2.8
85.02816	3.7
87.00730	2.2
88.97800	1.9
89.02303	3.2
92.56635	1.7
92.92712	1.7
95.01253	16.8
95.95078	1.8
96.95377	2.0
96.95896	24.7
97.02796	5.8
101.02292	4.3
107.01236	4.3
111.00711	2.4
113.02335	16.1
121.02869	8.4
122.03568	6.3
123.00763	100.0
124.01042	2.4
125.02337	81.1
135.04396	2.3
137.02325	2.4
139.00247	14.8
139.03822	2.0
140.00993	2.6
141.01852	9.2
149.02341	25.5
149.05872	2.4
150.03131	53.7
150.99170	3.0
151.00276	54.7
151.03543	2.1
152.00546	1.9
158.60262	1.8
161.04439	5.7
163.03864	3.8
164.04680	8.3
165.04158	2.8
165.05490	49.6
166.99741	3.4
168.00563	2.2
169.01328	86.4
170.01570	1.8
175.00186	6.4
175.03894	3.6
180.04140	5.7
183.02841	3.4
186.38623	1.8
190.02682	14.7
191.06960	1.8
193.05109	2.0
194.05582	3.0
195.06509	20.6
205.04974	10.8
205.08644	3.1
207.06621	2.4
208.07248	2.2
209.11690	3.8
211.13287	2.2
223.05995	5.6
240.04344	1.8
242.79103	2.5
247.43942	1.7
260.74875	1.8
265.07043	6.4
270.08990	2.4
285.03928	4.5
295.08063	4.3
299.09045	2.7
299.98712	2.7
300.99826	6.4
325.09100	4.9
329.10333	5.9
330.75296	1.9
341.10092	7.8
344.12567	8.8
347.07474	3.7
356.12625	2.4
359.14999	24.4
371.14780	5.4
385.11475	9.5
481.11069	2.1
507.20520	2.3
537.21295	26.0
540.16016	7.2
550.69763	1.8
585.23627	18.9
586.23364	4.3
608.00409	1.8
737.24200	96.6
738.24780	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	737.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	1.8
60.60049	0.9
61.98679	2.4
65.00168	1.4
67.01739	2.0
69.03336	1.0
69.29598	6.9
71.01247	1.8
72.99163	1.1
79.01749	2.6
79.95588	2.5
80.96365	3.5
93.03322	2.9
95.01266	8.5
96.95872	6.2
97.02808	1.5
107.01278	4.5
108.02045	2.0
109.02818	2.4
111.00773	4.3
121.02820	3.0
122.03625	6.3
122.99923	1.7
123.00777	30.7
123.04356	2.9
124.01511	3.1
125.02343	22.6
127.00243	2.1
133.02785	1.6
134.03651	2.1
136.01494	1.2
136.98651	2.8
137.02303	3.7
139.00284	7.8
139.03882	3.3
140.01080	5.9
141.01773	3.6
145.02754	1.1
146.03653	1.4
149.02341	11.7
150.03133	40.3
151.00278	2.7
151.03957	4.1
153.01779	1.6
164.04735	4.0
165.05481	27.9
166.05806	0.9
166.99770	13.3
168.00575	7.2
168.99965	1.3
169.01332	21.8
177.13763	0.9
179.03366	0.9
179.07076	1.8
180.04175	2.4
183.02914	6.4
195.02823	1.9
195.06526	2.1
197.04420	1.8
209.11691	1.5
211.13310	1.7
245.77090	0.9
256.03735	1.6
257.32181	0.9
264.19711	1.0
297.07681	1.1
300.99759	2.9
312.09784	1.0
328.09274	1.2
330.11203	1.7
331.08179	5.0
342.10992	1.7
345.09561	4.4
345.13513	2.4
346.10541	10.7
357.09418	1.1
374.09921	3.7
375.10660	0.9
423.10300	1.7
464.10739	2.1
475.10187	1.4
477.11990	1.8
478.12964	1.2
479.09674	1.1
480.10492	2.6
481.11145	2.7
493.10992	1.5
494.12308	4.7
495.13040	6.2
496.13425	3.7
507.12537	1.4
508.13519	2.9
509.14493	31.2
510.15048	11.7
511.15979	13.3
512.16406	3.7
521.14288	5.6
522.15106	6.0
523.15924	4.3
525.17651	1.9
539.15533	1.9
540.16333	31.7
541.16644	6.8
595.18286	4.9
613.19061	2.7
689.22296	2.2
719.23633	4.2
737.24304	100.0
738.12439	1.8
738.24701	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	737.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.4
65.92744	1.4
70.91206	3.6
71.01254	1.9
80.78709	1.3
87.00739	1.8
107.01282	3.2
112.93619	1.6
143.21660	1.5
151.00217	8.9
169.01416	1.6
173.00383	1.8
185.02548	1.5
193.01378	3.0
194.97438	2.7
195.98328	3.1
225.92598	1.7
230.02309	1.7
259.00580	3.0
263.00085	1.9
271.02423	2.8
272.98566	17.7
275.00296	9.1
284.98578	2.0
287.02158	3.0
299.02090	2.1
300.98099	19.2
302.99683	4.2
314.79453	1.4
315.01404	6.5
316.02075	2.9
328.97595	84.6
329.98251	16.4
330.99146	100.0
331.99463	9.4
349.00146	5.4
636.93579	1.5
655.09833	7.5
657.11194	53.1
658.11676	6.8
737.07062	23.8
738.07874	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01247	5.6
69.03314	2.2
69.73801	0.3
71.01250	4.2
71.04882	0.8
72.99188	0.3
73.02812	0.8
78.95800	0.4
79.95601	1.5
81.95166	0.5
85.02814	1.0
85.06453	0.5
87.00734	0.7
89.02322	2.9
89.43923	0.4
93.03333	0.3
95.04903	0.6
96.95892	0.9
98.20618	0.6
101.02319	3.5
109.06477	0.8
111.08008	0.5
113.02338	1.9
119.03378	0.6
125.09661	0.4
131.03380	0.4
145.05031	0.5
149.09666	0.4
161.04459	1.7
167.10677	3.1
177.12773	0.6
179.05525	0.6
179.10725	1.0
179.14330	3.6
180.14705	0.4
183.79924	0.3
195.13835	16.7
196.14290	0.9
205.12260	9.5
205.15735	0.3
206.12616	0.7
212.60817	0.3
223.13338	100.0
224.13673	6.1
225.14946	0.8
228.13460	0.4
235.08183	4.4
253.09248	15.3
254.09579	0.3
256.13171	0.7
264.58029	0.3
265.21848	0.4
275.20135	5.0
276.20370	0.7
280.69949	0.3
293.21216	81.5
294.21536	6.5
300.87134	0.3
441.21317	0.6
459.22348	11.4
460.22574	1.2
499.34164	0.6
529.30054	1.0
653.29626	0.7
655.30585	1.3
666.36322	0.4
735.42908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
59.01250	5.4
60.98386	0.4
62.70996	0.4
69.03326	1.8
70.08571	2.0
71.01256	4.0
71.04868	0.9
73.02850	0.6
83.04884	0.7
85.02818	1.1
87.00772	1.2
89.02290	2.2
95.04858	0.6
101.02329	3.3
103.24304	0.5
113.02304	1.6
119.03444	0.6
141.78889	0.4
149.09639	0.6
161.04437	2.2
167.10712	3.0
179.10648	1.4
179.14291	3.5
195.13834	13.7
196.14293	0.6
205.10519	0.8
205.12274	8.2
209.08592	0.5
209.11568	0.4
211.13374	0.7
223.13335	100.0
224.13676	6.5
235.08180	3.6
253.09253	17.1
256.13086	0.7
275.20139	4.7
293.21207	79.8
294.21579	6.1
389.63220	0.4
459.22406	9.6
460.22784	0.7
499.34167	0.7
529.30011	1.2
533.72565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.0
65.00043	0.2
69.03320	0.5
71.01254	2.2
71.20341	0.5
73.02824	0.3
83.04865	0.3
85.02814	0.4
89.02332	0.9
97.02802	0.3
99.00776	0.3
101.02328	1.5
109.06501	0.2
113.02325	0.6
119.03383	0.2
145.04904	0.2
161.04463	0.6
167.10654	0.3
167.14322	0.7
169.01335	0.2
179.05511	0.5
182.45634	0.2
183.13824	5.5
193.12289	1.9
198.07321	0.2
199.13335	0.3
207.10164	0.6
209.11781	0.4
211.13329	100.0
212.13673	4.4
225.11287	0.4
227.12820	0.3
234.64978	0.2
235.08235	1.6
253.09282	3.2
387.25754	0.3
429.21176	1.5
447.22342	9.0
448.22504	0.9
597.33112	0.2
623.34290	2.2
624.34692	0.3
637.32245	0.2
641.35620	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	731.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38604	0.5
70.92402	1.2
71.01239	0.9
81.57644	0.6
89.02367	0.6
93.03326	4.8
95.01247	1.1
95.04896	0.6
96.95874	0.9
108.02096	0.8
109.02836	3.8
110.68839	0.5
121.02845	12.4
122.03630	13.1
123.00791	1.3
123.04398	1.7
125.02335	2.1
132.02061	2.0
133.02863	4.7
134.03635	3.3
135.04445	5.3
136.01538	2.0
136.05098	0.6
137.02322	2.3
138.03099	0.8
139.03926	0.7
145.02867	1.8
146.03630	0.8
147.04425	4.9
148.01576	1.0
148.05229	0.6
149.02347	35.4
149.05951	4.7
150.03131	100.0
151.03479	3.8
153.01784	0.6
154.02646	0.9
154.62671	0.5
159.04416	0.6
161.02374	1.1
161.05969	0.8
162.03140	0.7
163.03941	7.5
164.04697	7.7
165.05484	99.5
166.05812	3.8
166.42299	0.5
166.99799	1.0
167.03423	0.6
169.01331	2.1
173.02374	0.9
174.03136	2.0
175.03926	14.2
175.05455	0.7
176.04680	2.7
177.01932	0.6
177.05467	3.3
179.03418	1.6
179.07063	2.8
180.04211	14.7
181.04904	1.7
188.04727	3.5
189.05518	5.6
190.06290	15.3
191.07051	12.7
193.04991	8.2
194.05768	8.7
195.06563	55.5
196.06961	2.6
203.07106	2.1
205.08649	13.7
207.06543	5.7
208.07317	9.3
209.08125	0.6
222.08983	1.0
223.09639	1.2
291.01505	0.6
297.11346	1.0
299.08826	0.6
300.99924	2.7
326.11298	0.7
327.12506	1.0
327.16022	0.6
329.10278	0.9
344.12741	3.4
345.13367	2.9
353.13824	0.7
355.11758	0.6
356.12561	0.7
357.13440	4.3
358.14224	2.0
359.14999	70.3
360.15231	5.1
371.14877	1.0
375.14362	1.5
387.14716	1.2
388.14999	1.6
389.16089	6.1
507.20560	3.7
508.20847	0.9
522.18872	1.7
533.29865	1.3
537.21289	77.4
538.21539	10.2
567.21759	1.6
585.23389	55.0
586.23694	6.4
590.10089	0.7
681.06812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
63.72386	0.9
64.56965	0.9
88.98679	1.4
89.02335	2.2
93.03313	2.5
95.01294	1.3
96.95870	5.7
98.20582	1.9
103.87579	0.9
107.01295	1.2
112.93612	2.3
121.02853	4.4
122.03626	9.6
123.00757	2.5
124.01571	1.4
125.02349	4.5
133.02844	2.0
147.04488	1.9
149.02344	15.6
150.03131	83.9
151.00276	1.2
151.03528	3.4
161.02304	1.8
163.03912	1.7
164.04715	3.2
165.05486	100.0
166.05841	3.3
166.99783	2.3
169.01358	7.8
175.03888	4.9
180.04225	11.2
188.04716	1.0
189.05531	1.5
190.06342	6.2
191.07043	4.5
193.04962	2.4
194.05743	2.4
195.06563	94.3
196.06866	3.8
205.08638	5.9
207.06538	1.4
208.07423	2.7
238.34830	1.2
273.00488	1.2
281.94449	1.1
285.04031	4.1
299.98959	1.3
300.99792	4.8
355.06592	1.1
359.15024	36.3
360.15298	3.1
371.14969	2.3
389.16153	2.2
422.27063	1.0
533.25488	1.1
537.21246	3.8
572.47687	1.0
585.23431	21.2
586.23633	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	729.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.9
61.98706	14.3
68.54524	1.7
69.91068	4.5
69.91479	5.6
71.01253	4.8
78.95779	2.7
89.02297	1.8
90.41713	1.9
93.03316	4.9
95.01256	4.4
96.95885	8.4
97.04526	1.7
97.54710	1.7
98.06503	1.9
98.20518	2.2
100.34795	1.6
101.02328	1.8
108.02020	1.9
114.52553	1.8
116.51151	2.2
118.97495	2.0
121.02860	17.7
122.03627	14.1
123.00756	7.4
123.04381	3.5
125.02320	9.4
134.03625	3.5
135.04407	6.8
136.01543	13.4
137.02345	3.7
149.02351	29.3
149.06004	2.3
150.03123	93.3
151.00307	4.4
151.03937	15.2
160.45003	1.8
161.02307	2.3
163.03886	6.3
164.04675	8.7
165.05475	100.0
166.02634	9.7
166.05769	5.7
166.99644	2.3
167.03410	2.6
169.01338	14.8
175.03912	4.7
177.01950	2.0
177.05428	3.2
180.04195	5.7
181.05016	12.2
190.06320	5.0
195.06554	88.7
196.06851	2.6
205.04924	1.9
209.04460	3.5
297.01044	1.8
298.98029	2.0
300.99850	12.7
356.12759	3.2
357.09558	5.7
357.13510	2.3
372.11938	3.1
387.14526	40.9
388.14392	2.3
404.80246	2.0
405.25043	2.6
473.16571	2.5
504.55112	1.9
535.19727	59.5
536.19745	10.1
567.24188	2.1
583.21753	10.0
693.36395	2.3
705.71600	2.2
729.13135	5.9
729.37250	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	729.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90545	0.2
61.97795	0.2
61.98700	1.5
68.99677	0.2
71.01247	0.5
71.05951	0.4
73.47230	0.2
78.95766	0.4
81.03349	0.3
85.02822	0.2
93.03329	3.2
94.03629	0.2
94.57841	0.2
95.01280	0.5
95.04928	0.3
96.95914	0.5
105.03329	0.4
106.23669	0.2
108.02085	0.7
109.02827	0.8
113.45056	0.2
121.02846	6.0
122.03630	12.6
123.00764	1.4
123.03812	0.3
123.04515	0.4
124.01564	0.8
125.02326	0.8
133.02835	1.2
134.03615	0.7
135.04411	1.7
136.01563	12.6
137.02388	2.1
137.59949	0.2
139.03902	0.3
145.02844	0.3
147.04442	0.3
149.02350	17.0
150.03130	88.2
151.00304	3.1
151.03922	14.9
152.00914	0.2
152.04411	0.4
154.02576	0.3
159.04434	0.4
160.05110	0.4
161.02303	0.3
162.03149	0.5
163.03934	0.5
164.03430	0.2
164.04723	3.8
165.05482	100.0
166.02623	9.9
166.05792	3.5
167.03320	0.6
169.01347	0.9
172.05226	0.3
173.02373	0.3
175.03911	1.2
177.01842	0.7
177.05467	0.6
180.04195	6.9
181.04984	11.7
182.05273	0.5
189.05527	0.9
190.06262	1.3
191.03419	0.3
195.06560	91.3
196.06889	3.6
203.03505	0.3
205.04927	0.5
205.08641	0.4
206.05627	0.3
221.08151	0.8
271.02444	0.4
282.05371	0.4
287.01932	0.5
297.07803	0.2
300.99918	0.5
309.07678	0.5
310.80777	0.2
316.02185	0.8
325.07053	0.2
327.09021	0.3
329.10196	0.9
342.11099	1.2
357.09656	2.8
357.13449	7.4
358.09869	0.4
358.13913	0.5
369.13354	0.6
372.12140	2.4
373.12775	0.6
387.14481	28.0
388.14813	2.8
413.86960	0.2
415.23297	0.8
458.77194	0.3
505.18555	0.6
535.19702	4.9
536.20135	0.8
539.46631	0.2
553.20898	0.9
565.20795	0.6
583.21826	12.1
584.22015	1.9
729.16913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97755	0.2
63.02266	0.3
65.00191	0.4
66.47250	0.2
71.37796	0.2
71.56154	0.2
71.56585	0.2
72.65108	0.2
79.95607	3.4
83.01247	0.2
91.41415	0.2
96.95885	100.0
97.95837	0.4
98.95461	0.2
107.01273	1.1
109.02818	0.7
125.02318	0.4
125.56178	0.2
137.02322	1.9
142.51178	0.2
151.00272	3.4
152.09175	0.2
157.95134	0.2
166.99815	0.2
169.01306	0.7
178.99770	2.9
184.22369	0.2
300.99796	0.4
302.66846	0.2
316.02341	0.3
317.02994	18.2
318.03180	1.3
325.79062	0.2
394.74323	0.2
479.08313	0.4
546.10535	0.2
631.09344	4.8
632.09753	0.6
729.17773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37320	0.4
62.83168	0.4
71.01236	0.6
71.06003	1.1
78.95794	0.5
81.03331	0.5
86.23096	0.4
93.03339	4.7
95.01275	0.8
95.04929	0.7
96.95940	0.8
105.03310	0.4
108.02043	1.2
109.02821	1.4
121.02846	12.8
122.03632	19.2
123.00761	1.5
123.04411	1.7
124.01562	1.8
125.02321	1.4
133.02837	2.3
134.03610	0.9
135.04416	8.9
136.01566	27.1
137.02380	5.0
139.00299	0.4
139.03903	0.7
147.04443	1.5
148.01663	0.5
149.02351	32.7
149.05965	1.0
150.03133	100.0
151.00298	6.6
151.03925	33.3
151.05229	0.9
152.01102	2.0
152.04422	1.1
153.01820	0.5
154.02646	1.3
159.04434	1.0
160.05183	1.3
161.02351	0.9
161.06032	1.5
162.03102	1.3
163.03914	3.6
164.04715	7.9
165.05487	92.5
166.02631	20.0
166.05759	4.0
166.99802	0.5
167.03397	3.2
169.01396	0.9
169.99490	0.4
172.05182	1.6
173.02408	0.4
174.03185	0.7
175.03925	5.1
175.07518	1.0
176.04701	0.7
177.01846	1.3
177.05489	1.7
178.02524	0.5
179.03456	0.6
179.07071	0.9
180.04228	5.8
181.04985	23.1
182.05417	0.8
187.03958	0.5
189.05486	4.5
190.02678	0.8
190.06305	7.6
191.03531	0.8
191.06819	0.7
192.04250	0.5
195.06563	57.3
196.06921	2.4
203.03629	0.5
205.04959	1.3
205.08565	1.1
206.05836	0.7
209.11790	0.6
221.08136	0.7
260.49097	0.4
265.05032	0.5
266.05777	1.2
279.06656	0.5
281.04602	0.5
282.05362	1.5
294.05270	0.5
297.07593	0.9
299.99356	0.5
300.99951	1.0
314.07944	0.9
315.08832	2.1
324.09979	0.8
325.10852	1.0
326.11499	1.0
329.10245	3.1
340.13208	0.7
341.10388	0.7
341.13965	0.6
342.11124	1.7
343.11621	0.7
355.11853	0.6
356.12814	2.2
357.09695	6.8
357.13492	9.2
358.10153	0.9
358.13925	0.9
369.13440	0.9
372.12134	5.6
373.12759	1.9
386.13821	2.4
387.14490	61.0
388.14813	6.3
450.76147	0.4
464.70309	0.4
490.16214	1.1
505.18835	3.8
506.19104	0.5
520.17206	0.6
535.19727	60.3
536.20184	9.1
553.20850	1.4
565.20984	1.9
583.21826	32.8
584.22119	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	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	23.7
70.99118	0.5
71.01255	2.3
73.02825	0.6
78.95827	0.3
85.02834	0.7
87.00738	0.6
88.27888	0.3
89.02317	1.7
100.70392	0.3
101.02317	2.6
113.02315	1.2
119.03427	0.5
125.09625	1.1
127.11208	1.5
153.09235	0.4
161.04483	0.9
171.10176	88.9
172.10515	3.4
179.05548	0.4
202.51883	0.3
217.06696	0.4
235.08214	3.4
242.33710	0.3
253.09265	7.3
255.23405	0.6
275.20126	0.4
277.21707	100.0
278.22055	9.2
346.59390	0.3
407.19119	0.9
418.13663	0.3
513.30444	1.0
665.57562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59140	0.6
59.01255	1.0
69.44668	2.7
69.45091	2.7
71.01253	12.0
72.99173	1.6
89.02312	2.1
97.73228	0.6
103.62413	0.6
115.00253	31.4
116.00688	0.7
119.04918	24.6
120.05284	0.7
125.02338	1.0
133.01323	100.0
133.02765	7.9
134.01695	1.4
135.04416	0.8
149.02365	1.0
151.11194	0.7
161.02376	1.5
163.00287	1.6
163.03918	29.0
165.01799	1.3
175.03893	1.8
193.01318	1.2
201.01932	1.8
217.05029	0.9
227.03392	0.9
269.04559	1.6
279.05090	4.1
283.10898	2.9
284.03238	5.4
285.04031	11.2
286.04425	0.9
297.00757	0.8
297.04050	13.9
298.04822	11.8
299.05573	9.0
309.08777	1.1
311.05695	3.8
325.03772	0.9
327.05087	43.3
328.05490	2.9
339.05106	5.4
341.06561	1.6
357.06140	34.2
358.06577	2.6
369.06110	2.0
411.07263	0.9
429.08383	2.4
445.12616	1.4
447.09299	83.6
448.09558	8.1
565.16870	1.8
607.17908	1.5
637.18604	0.9
667.19983	4.1
727.21753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21220	0.8
59.01249	45.3
60.68600	0.8
64.42969	0.8
69.73536	0.9
70.85968	1.9
70.86342	1.6
71.01257	4.3
78.95789	1.3
79.95611	2.6
80.96404	1.4
82.95210	1.0
85.02834	1.0
89.02288	2.7
95.04989	0.9
101.02320	3.6
113.02309	2.0
127.11175	1.9
151.11174	3.6
161.04471	1.2
169.10776	1.9
169.12247	35.3
170.12524	1.3
171.10179	97.3
172.10551	3.3
181.61710	0.8
192.82979	0.9
209.11893	0.9
213.11282	3.9
231.12321	4.2
235.08180	1.3
242.41614	0.9
253.09402	5.6
277.21713	33.0
278.21954	3.2
384.98477	0.8
407.19318	1.7
426.59152	1.0
431.19278	1.3
449.20236	1.8
467.21069	3.1
481.25537	1.9
500.08243	1.1
567.07294	1.0
602.41376	0.9
629.77954	1.1
709.41766	3.8
727.42688	100.0
728.43121	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	40.8
70.90142	3.3
71.01237	4.0
78.95774	2.7
81.26156	1.1
82.95260	2.3
84.94969	1.7
87.00748	1.4
89.02314	1.7
101.02321	4.5
110.13082	1.4
144.88051	1.2
151.11162	4.1
152.99417	1.5
153.20914	1.2
161.04445	1.6
169.12268	26.9
170.12508	1.3
171.08740	2.6
171.10184	49.3
172.10455	2.1
213.11467	1.5
214.77238	1.5
253.09158	3.9
257.40063	1.2
276.20782	1.4
277.21707	67.9
278.22015	5.5
449.20319	1.9
481.25919	2.1
497.03894	1.4
620.75659	1.6
628.90436	1.6
643.23383	1.4
675.23053	1.8
709.42029	3.7
727.42755	100.0
728.43018	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	727.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97898	1.3
59.01229	2.4
59.09254	0.6
63.02265	3.4
65.00191	11.5
67.01733	0.9
68.87035	0.6
69.03324	0.6
69.52023	5.0
69.84761	0.6
70.99467	1.5
71.01230	1.5
78.68871	0.5
79.95609	0.6
83.01244	4.2
85.02832	0.6
89.02299	1.9
93.03316	1.8
95.01262	3.0
96.95877	0.8
98.20461	1.2
98.98976	18.3
99.61321	0.6
101.02291	1.0
106.70203	0.6
107.01266	13.0
109.02836	2.1
110.98950	0.6
111.00724	0.9
112.93597	2.6
113.02354	0.7
119.01279	0.8
119.03407	0.7
121.02825	9.5
122.99960	0.8
123.00774	6.1
125.00439	0.8
125.02344	5.6
126.97530	0.8
126.98478	12.8
135.00830	0.9
139.00229	1.9
139.03955	0.7
145.02744	0.9
147.00745	0.8
147.04410	0.9
149.02318	2.5
151.00269	41.6
152.00639	1.3
152.96397	1.4
153.00041	0.7
153.97139	0.8
154.97983	4.9
159.04359	0.8
160.15984	0.7
161.02292	1.3
163.00252	2.9
163.03917	1.0
165.01831	1.5
166.98355	0.5
166.99754	3.5
168.00481	1.2
169.01331	10.2
174.03154	0.7
177.01784	1.3
178.98209	0.9
178.99767	17.0
179.05550	1.4
181.96758	0.7
182.97490	40.9
183.97842	2.0
187.03831	1.0
189.01846	1.0
190.99843	4.2
193.01320	1.7
198.96930	3.3
199.03973	0.9
200.98529	1.8
209.00850	1.2
215.03258	0.9
227.03429	1.8
229.01262	0.9
229.05066	1.7
243.02885	3.5
245.04565	1.1
255.02863	1.8
270.99219	0.9
271.02423	5.5
273.04028	2.0
284.98624	2.0
287.02267	0.7
297.00360	0.7
298.98618	0.7
299.01944	14.7
299.99005	0.7
300.02533	2.3
301.03491	100.0
302.03757	6.2
302.99664	2.5
312.98138	5.1
313.98239	0.7
314.99588	0.7
327.03540	1.2
330.99265	5.9
331.07144	0.7
331.99567	0.8
333.00702	6.5
341.13986	1.4
343.01279	10.1
344.01709	0.7
345.02835	20.0
346.03067	1.4
346.13586	0.7
361.02283	1.7
424.98541	11.0
443.93976	0.7
463.07443	0.8
474.18759	0.8
613.07910	3.6
645.05518	20.8
646.05719	2.7
647.06995	13.0
648.07141	2.6
727.02283	6.9
728.02600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.3
61.60820	1.0
63.02272	1.7
65.00182	5.4
70.36849	1.0
71.01257	1.2
71.05302	2.0
71.05651	2.1
80.48093	1.2
83.01251	3.8
87.52180	1.0
95.01280	2.4
96.35938	1.1
96.95872	11.7
97.02862	1.1
98.98983	8.5
101.02316	1.5
101.95837	1.0
107.01284	9.6
108.30882	1.0
109.02840	9.4
109.64979	1.2
112.93601	1.9
113.99762	1.2
115.06095	1.2
123.00755	4.2
125.02328	8.8
126.98523	6.9
129.55458	1.1
137.02335	23.8
139.00238	1.6
143.04948	1.4
147.04462	1.4
151.00278	39.0
154.97960	2.7
159.04439	1.8
159.18869	1.3
163.00266	4.7
165.01897	1.7
166.99777	3.1
169.01305	11.5
171.04416	1.6
173.02350	1.2
177.01778	1.4
178.99776	28.0
180.00015	2.0
182.97495	28.2
187.03886	2.6
189.01805	1.3
190.99722	3.1
191.03384	1.1
192.00533	3.0
193.01274	1.3
199.03931	2.5
200.98557	1.5
201.01906	1.2
203.03494	7.2
214.02481	1.7
215.03423	3.9
217.01292	2.1
227.03473	1.9
231.02878	5.4
243.02910	6.3
244.99007	1.7
245.04477	1.4
259.02411	12.5
260.03177	1.2
261.03992	1.4
271.02475	14.0
272.98480	9.1
273.98721	1.2
280.30881	1.1
287.01968	19.1
288.02249	2.2
299.02112	2.1
299.99136	1.5
300.98080	5.1
301.00552	1.4
315.01450	64.0
315.06860	7.3
316.01981	12.9
317.02997	100.0
318.03336	7.0
328.97610	51.5
329.03412	5.1
329.97974	4.9
330.99136	2.7
463.08884	6.0
543.04474	1.5
613.08179	13.6
614.09033	2.1
645.05621	21.6
646.05804	3.3
647.07117	38.9
648.07471	5.7
680.50183	2.6
727.03119	8.4
727.34937	1.9
728.03265	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	727.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.3
60.03267	0.7
63.02263	2.5
63.04960	0.7
65.00192	12.0
71.01208	0.8
71.05326	1.8
76.79044	0.8
79.70724	0.8
83.01258	6.2
96.95925	1.1
98.20460	0.8
101.02325	0.8
107.01267	20.6
108.99192	0.7
116.92748	7.1
123.00776	1.8
125.00540	2.8
125.02333	18.4
139.03882	0.7
147.07422	0.8
148.01534	1.1
151.00269	75.8
151.99390	1.3
152.00615	3.0
153.00064	14.2
162.98442	1.0
166.99815	0.9
169.01340	10.1
177.00116	0.8
178.97990	9.4
178.99757	6.9
179.98787	36.9
180.99556	44.0
181.99998	1.0
184.72188	0.8
193.01337	4.0
206.97498	10.3
211.02382	0.8
227.01535	1.0
227.03465	1.6
227.57455	0.7
243.02953	2.0
255.02966	2.8
256.03748	2.4
271.02637	7.6
272.03070	1.7
287.00406	1.0
289.01746	1.5
299.01959	11.7
300.02728	35.3
300.99991	0.9
301.03198	1.7
312.97882	1.0
313.05618	1.4
313.98822	1.6
314.99683	44.7
316.00000	3.7
331.06607	0.9
333.00726	100.0
334.01096	6.8
488.49249	0.8
495.05930	8.9
521.97260	0.8
647.07111	60.2
648.07361	8.4
727.02612	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	725.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.4
59.04009	1.7
61.98689	1.0
64.47778	1.3
69.35555	11.7
71.01234	3.6
75.66943	1.2
78.95776	1.3
79.33118	1.2
89.02306	2.1
95.01295	1.2
96.95888	6.0
101.02291	1.8
113.02296	1.7
123.00742	2.5
123.69427	1.3
125.02357	5.7
152.99573	1.4
157.29936	1.2
161.02336	1.4
166.99791	2.4
169.01350	6.6
189.01848	1.5
189.05515	3.2
200.04697	2.5
201.05478	3.8
202.38771	1.2
203.03397	4.0
205.04993	1.8
211.03981	2.4
213.05641	1.5
215.03474	2.5
217.04988	8.4
218.05716	2.1
227.03444	3.8
228.04306	2.2
229.01370	2.1
229.05020	9.1
231.02940	2.8
232.03708	4.7
233.04581	3.3
242.02133	1.7
243.02974	7.0
245.04520	23.3
246.05072	3.5
256.03711	3.0
257.04517	25.3
259.06036	1.8
260.03085	2.1
271.06119	2.3
272.06839	17.9
273.00595	1.6
273.04169	3.9
273.07657	28.5
274.08105	2.3
275.09189	2.9
287.05707	9.4
288.06271	1.9
289.07178	44.6
290.07657	4.9
300.99881	3.1
304.05823	5.2
305.06662	10.5
306.06940	1.4
312.03873	1.4
315.08743	3.6
317.10126	1.5
393.07834	1.9
395.04892	1.3
395.09390	1.5
409.06973	1.7
411.08719	4.5
413.06097	2.5
421.07141	5.3
422.07883	3.9
427.08246	1.7
455.11432	3.9
465.09955	5.7
466.10257	2.2
467.07608	2.7
471.10947	2.0
475.10052	1.7
481.07394	1.4
483.11050	1.7
485.08578	2.9
503.10168	3.2
509.12613	6.8
510.12906	1.7
523.13428	1.5
527.13330	8.4
529.11499	3.8
545.14807	3.7
547.12378	11.1
551.13684	1.9
562.14795	46.2
562.23572	3.0
563.15576	100.0
564.15906	13.2
569.14490	1.6
575.15875	1.7
587.15527	2.2
605.16919	6.2
672.11090	1.4
707.19794	1.4
725.20856	68.7
726.21222	10.2
730.96539	1.6
749.35779	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.2
57.03324	0.3
58.00463	0.5
59.01248	5.0
69.03312	0.3
70.43448	0.7
71.01247	4.0
73.02808	1.3
78.95786	0.3
79.39229	0.2
80.02538	0.8
81.03319	1.1
83.01259	0.5
83.04894	4.3
84.02035	0.6
85.02809	1.0
87.00746	0.8
87.34052	0.2
89.02309	2.3
95.01247	0.4
95.04907	0.6
97.02229	0.2
97.02837	0.3
97.06447	0.3
98.19833	0.2
101.02312	3.3
109.06481	0.4
113.02340	1.8
113.70637	0.2
119.03387	0.8
125.02354	0.2
125.05936	0.5
133.04964	0.4
135.08054	0.5
143.03462	0.3
145.04968	0.7
147.11697	0.2
157.04953	0.3
161.04454	1.2
163.11195	3.3
165.12752	1.7
179.05580	0.2
181.12267	0.6
185.11678	0.3
191.10715	0.8
199.13319	0.5
207.10126	0.4
209.11763	83.6
210.12106	5.3
225.11322	0.2
227.12845	9.8
228.13144	0.8
229.00328	0.2
233.22575	0.3
235.08180	6.2
236.08459	0.3
252.04243	0.2
253.09253	9.8
254.09702	0.4
259.20657	0.2
275.20352	0.3
277.21704	100.0
278.22046	9.2
445.20508	0.4
723.43073	0.3
724.44324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97920	2.7
59.01251	12.2
61.98698	3.8
69.36824	16.9
69.37250	9.7
71.01280	3.2
78.95778	10.6
80.96384	30.5
95.80579	2.5
96.95899	12.2
101.02341	3.4
109.02879	3.4
113.04189	5.1
123.00779	5.9
125.02336	9.7
137.02341	8.8
140.02992	3.8
155.05217	15.0
163.00266	10.5
165.01773	13.7
169.01357	5.9
177.01973	4.2
209.00774	13.1
209.11792	4.3
211.13351	5.1
216.00652	3.9
230.99275	2.7
232.00185	4.5
258.98825	23.3
259.99338	4.8
271.02438	7.4
275.99188	4.3
286.98318	32.4
299.12906	6.3
300.99844	7.5
319.00989	20.3
343.11813	8.4
371.11191	3.5
379.08597	3.6
383.11450	15.2
401.12485	10.3
403.10239	8.1
411.10718	8.1
427.10226	15.5
443.13229	7.9
455.13730	7.3
459.12955	100.0
460.13293	10.2
487.10623	34.7
488.11920	4.1
515.09967	4.7
523.19482	8.4
533.18451	3.6
539.17822	3.0
551.19244	4.5
567.16992	9.3
577.17157	5.2
583.16370	12.5
611.15936	6.7
615.19586	13.8
615.27759	3.1
643.18646	13.6
724.39642	4.7
725.15533	4.6
725.39001	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39700	0.1
55.01776	0.2
59.01249	4.3
71.00264	0.3
71.01248	3.0
73.02819	0.6
80.02555	1.0
81.03331	1.1
83.01256	0.4
83.04893	4.1
84.02040	0.6
85.02811	0.8
87.00743	0.6
89.02314	1.9
93.03326	0.2
95.04913	0.7
97.06443	0.2
101.02327	2.8
109.06483	0.2
113.02341	1.3
116.24289	0.2
119.03369	0.5
119.08512	0.1
125.02376	0.2
125.05968	0.4
126.74586	0.1
128.31854	0.2
131.12122	0.1
135.08017	0.6
143.03387	0.2
145.04950	0.6
147.06360	0.2
161.04460	1.1
163.09845	0.3
163.11194	3.7
164.11531	0.2
165.12752	2.4
179.05544	0.3
181.12259	0.6
191.10735	0.7
191.91866	0.2
199.13306	0.3
207.10236	0.2
209.11761	100.0
210.10049	0.3
210.12091	5.8
227.12827	11.0
228.13150	0.8
233.22821	0.3
235.08180	3.2
253.09248	8.7
254.09532	0.5
259.20544	0.4
266.21716	0.2
275.20160	0.2
277.21704	74.8
278.22052	6.9
428.32269	0.2
445.20749	0.7
513.30890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
56.89224	0.3
59.01247	4.5
66.88057	0.3
69.85753	1.1
71.01244	3.2
73.02813	0.6
78.95781	0.6
79.95622	0.7
80.02543	1.6
81.03335	1.2
83.01254	0.8
83.04890	5.1
84.02025	0.8
85.02832	1.0
87.00739	0.7
89.02306	1.7
93.03342	0.3
95.04897	0.8
98.19839	0.4
98.95638	0.3
101.02317	3.0
107.58369	0.3
109.06477	0.5
113.02338	1.5
113.94200	0.3
114.10578	0.3
117.58212	0.3
119.03409	0.4
125.05943	0.6
135.08018	0.5
143.03380	0.3
145.04951	0.3
151.11217	0.4
152.99466	0.4
161.04453	0.9
163.11185	3.7
164.11523	0.3
165.12740	2.4
169.12172	0.4
171.00601	0.3
181.12325	0.7
185.11754	0.9
191.10661	0.7
196.68517	0.3
199.13324	2.4
207.10158	0.5
208.10422	0.4
209.11771	100.0
210.12117	6.7
225.11269	0.9
226.11620	0.7
227.12845	21.1
228.13303	1.4
235.08171	1.7
253.09254	8.1
254.09506	0.4
257.11176	0.3
264.68301	0.3
277.21713	63.3
278.22086	5.9
279.23111	0.7
293.21323	0.3
445.20782	0.9
463.21683	0.9
469.14371	0.4
648.71027	0.3
705.36041	0.4
723.42767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.3
59.01249	2.6
59.31842	0.1
69.92019	0.7
71.01253	2.3
73.02805	0.4
78.13811	0.1
80.02534	0.8
81.03335	1.1
83.01270	0.4
83.04895	4.0
84.02018	0.7
85.02799	0.5
87.00751	0.4
89.02320	1.9
91.28752	0.1
91.70891	0.1
95.01308	0.2
95.04899	0.6
97.02795	0.1
101.02325	1.6
107.39136	0.1
109.06475	0.3
110.77794	0.1
113.02345	0.9
115.13966	0.1
119.03398	0.6
122.41608	0.1
125.02394	0.2
125.05977	0.4
125.09638	0.3
133.04974	0.1
135.08028	0.6
143.03442	0.3
147.11725	0.3
152.99443	0.2
154.31172	0.1
161.04497	0.7
162.66446	0.1
163.11192	3.3
165.12767	2.3
179.05498	0.4
181.12245	0.6
191.10666	0.9
199.13263	0.4
209.11765	100.0
210.10063	0.2
210.12105	6.1
227.12845	10.4
228.13150	0.6
235.08171	1.4
253.09253	7.7
254.09547	0.4
277.21707	50.3
278.22067	4.7
304.38251	0.1
445.20792	0.8
491.41489	0.2
681.68610	0.2
745.05530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76973	0.3
58.00474	0.3
59.01248	6.1
69.03323	0.6
70.59398	0.9
71.01250	5.0
72.99176	0.3
73.02802	0.9
80.02531	0.7
81.03333	1.0
83.01280	0.6
83.04887	3.9
84.02036	0.7
85.02829	1.1
87.00752	1.3
87.87071	0.3
89.02315	4.1
95.04897	0.6
97.02845	0.4
97.06484	0.3
101.02312	4.3
102.25960	0.3
109.06463	0.5
111.08049	0.3
113.02335	2.8
119.03401	1.4
135.08061	0.5
143.03391	0.7
145.04927	0.4
153.12675	0.3
161.04460	1.5
163.11183	2.7
165.12733	1.9
167.10698	0.6
167.14278	0.4
171.10173	0.4
179.05510	0.8
179.14276	0.4
183.13820	6.3
191.10649	0.5
193.12199	1.4
195.13823	5.4
196.14116	0.5
205.12262	0.4
207.10127	0.6
209.11760	77.1
210.12120	4.1
211.13322	100.0
212.13672	6.1
223.13330	3.2
225.11346	0.3
227.12840	7.9
228.13269	0.5
235.08176	3.9
253.09244	17.9
254.09494	0.8
256.13092	1.0
275.20129	4.9
277.21701	38.0
278.22028	4.0
293.21213	60.2
294.21481	5.0
445.20886	0.6
447.22366	4.2
448.22165	0.5
474.52725	0.3
487.34055	0.7
529.29883	0.7
723.42725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07972	1.7
70.81481	1.9
70.81838	4.1
78.95773	32.3
80.02546	2.0
83.04897	4.1
96.39525	1.6
96.96837	1.8
103.72053	1.5
105.64727	1.3
152.99487	47.0
153.00728	2.5
160.36684	1.3
162.93399	1.8
163.11168	5.1
165.12726	2.7
171.00606	3.4
209.02179	1.7
209.11766	100.0
210.12085	3.9
227.03149	4.2
227.12863	8.8
253.21657	20.7
277.21719	5.8
363.12012	3.5
369.74457	1.7
395.14935	2.4
433.95984	1.6
437.15833	1.7
455.16702	10.5
487.19485	76.8
488.19763	7.1
528.08990	1.9
691.38202	6.5
723.40997	50.7
724.41046	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	723.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24411	1.2
57.03321	100.0
58.03662	1.4
59.01252	7.7
61.98689	2.9
63.57505	1.5
69.41900	10.6
71.01250	5.0
76.68130	1.2
78.95763	2.5
83.01267	1.9
85.02808	2.6
87.00751	1.5
89.02317	1.6
89.50610	1.4
95.01231	1.3
96.95879	8.3
97.02853	1.2
98.20549	2.5
99.00726	3.0
99.04392	51.4
101.02320	19.4
113.02298	2.2
120.86529	1.3
123.00809	2.5
125.02342	23.1
137.05905	1.3
154.06094	1.6
163.03973	2.8
163.11157	1.5
166.99829	2.0
169.01352	6.8
169.02646	1.3
183.04572	1.3
193.08537	1.8
207.10146	4.0
209.11714	5.1
210.12120	2.2
225.11282	4.5
258.01559	2.1
286.01022	2.3
298.98282	1.7
300.99811	3.6
301.03500	6.5
314.00739	9.3
315.01218	1.4
329.02982	28.3
340.11478	1.6
344.05469	15.7
345.05698	2.4
357.02643	3.2
359.07712	25.2
372.04892	3.7
387.07266	27.8
388.07614	3.5
402.09625	16.1
403.10333	3.9
403.20709	1.4
417.11896	93.8
418.12082	8.3
531.31653	5.6
549.32520	7.3
627.37006	5.8
669.38391	3.5
687.40125	2.7
690.33801	8.4
691.34540	7.6
723.19122	2.3
723.38666	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	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
55.13712	0.2
57.03316	0.6
58.00489	0.2
59.01248	4.6
62.19055	0.2
69.03328	0.5
70.58566	0.6
71.01250	5.1
71.04884	0.9
73.02814	1.3
81.03337	0.5
83.01262	0.8
83.04886	0.7
85.02807	1.5
87.00747	1.1
89.02304	2.0
94.29071	0.2
95.01250	0.7
95.04884	0.4
97.02823	8.3
97.06464	0.9
99.00751	10.9
100.01067	0.2
101.02322	2.8
109.06483	2.2
110.03629	1.5
111.04379	0.3
113.02323	1.8
119.03396	0.5
123.04387	0.7
123.08044	0.3
125.02338	1.1
125.09588	2.9
127.07556	0.2
133.04962	0.4
135.08066	1.2
136.05208	1.1
142.02625	2.8
143.03424	0.3
145.04951	0.6
145.10144	0.5
161.04477	0.9
161.09605	0.8
163.11192	8.4
164.11473	0.4
165.08922	0.2
179.05495	0.5
179.10687	0.8
181.12256	17.0
182.12617	1.1
189.09181	0.5
197.11713	0.5
199.13316	1.7
207.10191	51.2
208.10551	2.8
225.11263	100.0
226.11575	5.0
235.08150	2.5
242.82715	0.2
243.12331	11.9
244.12624	0.5
253.09254	3.3
259.20795	0.3
267.12219	0.4
275.20105	0.3
277.21698	84.4
278.18964	0.4
278.22058	6.0
281.13849	0.5
282.14182	0.3
293.52121	0.2
299.14902	1.0
317.16037	1.0
371.16995	0.3
443.19211	4.0
444.19458	0.3
461.20264	31.7
462.20514	2.4
577.37195	0.3
721.41614	20.8
722.41876	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	721.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03330	0.3
59.01246	4.6
65.31385	0.2
68.15066	0.2
69.03333	0.4
71.01249	3.9
71.04893	1.0
71.27477	0.3
72.99174	0.3
73.02824	1.0
75.00751	0.2
78.95756	0.2
80.02542	0.2
81.03337	0.6
83.01235	0.9
83.04890	0.5
85.02821	1.3
87.00754	0.8
89.02307	1.5
95.01257	0.2
95.04884	0.3
97.02824	4.9
97.06451	1.0
97.91016	0.1
99.00752	9.6
101.02317	2.9
109.02873	0.2
109.06467	3.1
110.03593	0.8
110.06789	0.2
111.04395	0.3
113.02331	1.5
119.03380	0.4
123.04385	0.6
123.08044	0.5
125.02348	0.8
125.09609	2.8
129.01842	0.2
133.04947	0.2
135.08090	1.1
136.05190	0.9
136.43167	0.2
142.02609	1.7
143.03380	0.2
145.04976	0.4
145.10168	0.3
147.08121	0.2
153.12752	0.2
161.04488	1.1
161.09616	0.5
163.11189	6.4
164.11508	0.3
179.05432	0.2
179.10661	0.6
181.12247	9.2
182.12621	0.3
189.09058	0.4
191.30099	0.2
197.11676	0.4
199.13248	0.8
207.10190	35.3
208.10565	2.1
209.11803	0.2
223.13428	0.2
225.11256	60.5
226.11604	3.5
233.22667	0.3
235.08180	2.8
243.12328	9.1
244.12689	0.5
253.09222	4.5
253.11879	0.3
254.09518	0.2
259.20682	0.3
267.12439	0.5
275.20084	0.5
277.21692	100.0
278.22049	8.5
278.24411	0.2
281.13974	0.2
282.71368	0.1
285.13486	0.3
299.15027	0.5
309.13385	0.3
317.16147	0.3
345.15491	0.4
387.16629	0.2
399.63315	0.2
405.17569	0.5
443.19159	3.9
444.19528	0.4
461.20279	6.8
462.20514	0.8
513.30420	0.2
577.37653	0.5
628.73773	0.2
721.41626	17.8
722.41968	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	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	0.6
59.01244	10.0
69.03327	0.8
71.01244	7.8
73.02809	2.3
78.95782	1.0
81.03329	1.1
83.01263	0.9
83.04900	1.2
85.02831	1.4
86.08817	0.5
87.00761	1.4
89.02300	4.5
95.01276	1.9
95.04907	3.8
97.02842	3.6
97.03416	0.7
97.06429	0.8
99.04398	0.9
101.02320	6.2
106.04093	0.8
109.02798	1.0
109.06471	10.3
110.03605	3.6
111.04384	1.3
113.02325	2.6
119.03367	1.7
121.77594	0.6
123.08061	0.8
125.09594	1.0
135.08064	1.3
142.02699	0.8
145.04961	1.9
145.09979	0.7
147.08018	0.7
148.41560	0.5
161.04442	2.5
161.09592	2.0
163.11217	8.8
164.11542	0.7
169.12236	0.9
179.05534	2.2
179.10683	2.6
181.12260	2.6
189.09073	4.9
197.11787	0.8
207.10199	33.7
208.10500	1.6
209.11786	1.4
212.08051	0.5
214.14284	0.6
225.11263	100.0
226.11586	4.8
235.08171	8.7
243.12315	0.7
253.09259	12.1
255.23329	0.6
262.45987	0.7
277.21710	73.1
278.22000	5.4
299.14877	0.7
443.19208	9.3
461.20230	15.3
462.20831	0.9
467.31940	0.7
721.41681	12.3
722.41992	2.5
724.34186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
59.01245	13.5
62.10962	0.7
70.09444	1.4
70.09832	1.4
71.01238	8.0
73.02846	1.6
78.95796	1.1
80.02551	0.9
81.03324	2.6
83.01258	1.3
83.04890	2.6
85.02827	2.5
85.18070	0.7
87.00777	1.8
89.02303	5.7
89.86012	0.6
93.03325	0.8
95.01260	1.2
95.04886	3.3
97.02819	5.9
99.00745	1.4
99.04382	0.7
101.02309	5.3
107.04945	0.9
109.02864	0.7
109.06469	28.0
110.03608	1.6
111.00774	0.9
111.04444	1.3
113.02312	4.4
119.03380	1.6
121.06468	1.9
123.04457	0.9
125.02308	0.6
125.09562	0.9
135.08047	4.2
136.05244	1.3
142.02634	1.9
143.03384	1.4
145.10114	1.4
147.08133	0.6
149.09697	0.7
161.04453	2.2
161.09651	1.8
163.11191	19.5
169.12268	0.9
179.05511	2.2
179.10736	2.0
181.12263	5.1
189.09175	4.9
197.11772	1.0
207.10191	85.7
208.10588	3.3
209.11797	2.1
210.78238	0.6
225.11264	100.0
226.11626	4.8
235.08119	3.1
243.12430	1.0
253.09244	14.9
275.20151	1.1
277.21701	84.5
278.22021	6.6
281.13760	0.7
292.20486	0.6
441.33929	1.0
443.19220	7.8
444.19373	1.5
461.20221	25.0
462.20590	2.7
485.33093	0.9
516.48511	0.6
703.40564	0.8
721.28467	1.3
721.41626	27.3
722.41949	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	721.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.6
60.79358	1.0
65.00185	1.0
71.01246	2.7
71.15012	2.4
79.01784	1.3
83.01182	0.9
83.58468	0.9
85.02827	1.1
89.02315	1.6
97.02827	1.3
107.01247	1.9
121.02832	2.8
125.02332	1.3
131.01303	3.1
133.02846	1.8
136.01561	2.5
137.02409	1.4
149.02333	1.7
151.00267	4.6
153.00031	1.2
163.00273	5.2
164.01007	3.0
165.00053	19.2
165.01794	6.9
175.00255	7.4
177.01784	1.6
179.98784	2.1
190.99698	1.9
193.01317	2.8
205.01306	2.5
223.02477	1.1
234.00212	1.2
234.33817	1.1
244.02034	1.0
258.03662	1.0
261.02106	1.2
269.04562	2.8
270.05182	1.2
283.02438	1.2
285.01907	1.2
286.02798	1.4
297.04074	4.9
302.02588	1.2
313.01740	3.2
314.02341	1.5
314.99573	3.0
317.01257	4.4
329.01288	9.6
330.01984	16.6
331.02286	1.7
341.01218	7.1
357.00577	1.6
358.01471	2.7
359.02200	9.3
360.02548	1.4
362.01218	1.4
370.01569	3.5
371.02432	5.0
383.02277	1.1
389.03308	11.2
401.03339	4.0
431.04153	1.4
443.04123	1.5
461.05600	6.1
521.07581	16.2
522.07983	3.1
641.11792	100.0
642.11951	16.1
642.84625	1.2
658.27478	1.1
721.07391	15.5
722.08551	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	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
57.03308	1.1
59.01247	6.7
61.98705	3.8
69.03330	4.7
69.67758	2.5
69.68170	1.3
71.01251	6.0
71.04886	2.9
73.02805	1.4
75.91672	0.6
79.95601	11.2
80.02543	1.9
80.96381	6.4
81.03311	1.5
83.01231	1.4
83.04897	6.3
84.02052	1.0
85.02849	1.5
87.00753	1.9
89.02313	3.7
93.03355	0.7
95.01279	1.1
95.04922	1.3
95.41366	0.6
96.95887	78.2
97.02814	0.9
97.06487	1.0
98.20522	1.2
101.02317	4.4
111.00768	0.8
113.02330	2.2
119.03418	0.9
123.00752	1.4
123.08018	1.4
125.02335	2.1
125.05969	0.8
125.09609	2.8
131.04535	0.8
137.09578	0.6
140.01013	0.9
149.09625	0.6
150.74043	0.7
151.11186	2.8
153.12766	1.5
161.04506	1.4
161.09634	3.6
163.11195	4.3
165.12773	2.9
166.99817	0.6
169.01436	2.9
171.10216	0.9
179.10690	6.8
181.12244	0.8
191.10678	0.8
197.11761	66.8
198.12083	2.8
209.11766	64.1
210.12119	3.2
223.09685	1.5
227.12808	4.2
233.15457	0.7
241.10782	3.0
253.09297	3.2
299.99243	0.8
300.99997	1.4
459.18585	0.8
477.19736	2.4
541.42664	0.7
567.24658	0.9
687.32275	100.0
688.32697	15.8
719.30377	23.0
720.30688	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	719.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22082	0.3
54.14553	0.3
56.76579	0.4
59.01244	1.4
60.93782	0.3
61.98698	1.8
69.19602	0.3
69.26177	3.8
71.01263	1.7
73.02794	0.4
78.95781	0.4
79.95604	10.2
80.96392	6.7
82.73756	0.3
83.04890	0.5
85.02827	0.5
89.02309	0.9
91.90202	0.4
95.95119	0.6
96.95887	100.0
97.95809	0.4
101.02321	1.0
107.01279	0.4
113.02306	0.8
119.04913	0.4
120.36164	0.4
123.00779	0.9
125.02317	1.6
152.99364	0.3
160.37628	0.3
165.12645	0.4
166.99757	0.7
169.01405	1.9
171.10130	0.5
179.10701	0.7
197.11757	6.6
209.11763	6.1
213.14915	0.5
215.14412	0.4
227.12830	0.7
233.15422	0.7
238.69681	0.4
255.23265	0.5
300.49222	0.4
300.99890	1.6
342.35254	0.3
351.77005	0.3
483.27496	0.6
567.24426	0.5
687.32300	7.3
688.32489	0.7
719.29370	39.3
720.29645	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	719.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07250	0.4
51.56766	0.5
53.20612	0.5
55.01764	0.5
57.84585	0.6
59.01258	0.6
67.01774	1.4
67.37475	0.5
69.03315	1.2
71.01269	1.1
79.01775	1.2
83.01257	1.0
93.03355	1.3
95.01275	4.1
95.04912	0.8
97.02814	2.5
101.06004	1.0
105.03344	1.0
107.01278	4.2
107.04897	4.0
109.02892	0.6
111.00757	4.0
121.02847	1.1
123.00771	8.3
123.04424	4.5
124.01575	2.2
125.02334	16.8
126.02686	1.0
127.00256	1.5
131.04532	0.6
136.98720	2.5
137.02357	1.4
139.00256	4.7
139.03920	0.6
140.01064	6.3
141.01778	0.6
144.61606	0.5
149.02345	1.9
150.03101	3.9
151.00285	1.7
151.03917	15.9
152.04170	0.8
153.05473	6.6
163.03877	0.7
164.04672	1.0
165.05403	0.7
166.02603	1.1
166.99788	3.1
168.00534	7.9
169.01335	23.9
170.01712	0.7
177.01862	1.6
179.07039	0.9
181.04980	100.0
182.05330	4.2
183.02911	2.1
193.01294	0.5
194.02121	1.6
195.02916	18.2
196.07335	72.4
197.07652	3.4
209.00839	1.0
211.09694	42.1
212.10048	1.6
317.10272	2.4
361.09256	20.1
362.09622	1.9
425.30777	0.6
507.15103	14.4
508.15363	1.2
549.12201	1.0
567.13458	2.9
568.13959	0.7
573.19720	17.6
574.19897	2.9
719.14569	5.0
719.25513	62.1
720.14905	0.5
720.25793	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	719.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	8.9
67.89173	3.4
69.89515	8.5
69.89922	13.2
71.01233	5.5
78.80618	3.3
81.96098	3.6
89.02299	8.6
97.15121	3.7
122.99613	3.1
147.80128	3.7
159.31111	3.8
184.67851	4.1
215.03293	5.7
242.07574	3.5
257.54453	4.1
297.21982	3.7
300.99774	5.6
341.10849	25.5
377.08536	100.0
378.08746	6.8
413.15454	3.9
726.40173	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	719.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.4
59.01248	1.5
61.98695	2.2
65.00176	0.5
66.96449	0.3
67.01753	1.3
69.03329	2.1
71.01255	2.4
71.56463	0.8
72.99195	0.5
79.01756	0.9
79.95605	0.5
81.03337	1.0
83.01247	0.9
85.02829	0.8
88.03896	0.4
89.02319	0.6
95.01257	2.7
96.95889	2.5
97.02827	2.3
97.06960	0.3
99.00716	0.3
101.02322	0.9
101.05957	10.8
102.06355	0.4
107.01267	16.3
111.00755	3.5
112.47350	0.3
113.02296	0.8
117.45374	0.3
121.02851	0.4
122.99893	0.7
123.00768	10.4
124.01595	1.8
125.02335	83.3
126.02679	2.6
127.00282	1.1
136.98711	1.4
137.02325	0.7
139.00270	4.6
140.01068	3.2
141.01819	1.3
151.00259	5.7
153.01852	0.6
159.04485	0.4
161.02350	1.2
163.03911	0.5
165.01871	0.8
166.99779	1.7
167.03384	1.0
168.00557	5.8
169.01335	100.0
170.01692	3.1
177.01895	0.5
179.03410	1.0
183.02875	0.9
190.02638	0.6
191.03442	0.7
193.01385	1.7
205.01366	1.4
205.04874	0.4
207.02885	0.7
211.02428	3.5
222.59866	0.3
233.04398	0.8
235.02312	0.4
275.02121	0.4
277.03537	0.5
295.04657	0.6
299.98901	0.5
300.96594	0.3
300.99869	1.1
313.05551	0.8
321.02484	1.9
337.08896	0.4
355.10379	1.2
379.10370	3.3
397.11383	5.8
398.11710	0.8
405.24619	0.5
415.12405	2.2
481.14969	2.6
493.14795	0.6
511.15915	0.4
519.31848	0.4
521.33209	1.1
549.12366	9.7
550.12769	1.6
567.13556	25.4
568.13745	2.4
617.07910	2.0
620.12714	0.5
657.22113	5.5
719.14606	40.1
720.14911	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	717.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
59.51343	0.3
60.68152	0.4
69.36778	0.5
69.37182	2.8
71.01250	0.7
95.01267	1.6
96.95948	0.4
97.02840	0.4
98.19764	0.7
101.02315	0.6
101.05952	1.8
109.02853	0.4
113.02260	0.4
117.03345	0.6
119.04926	0.5
123.00787	3.2
125.02347	4.4
126.09299	0.4
129.03369	0.8
133.02864	0.4
137.02345	0.5
140.01050	0.4
141.01801	0.4
141.39230	0.4
145.02798	2.2
147.04425	1.5
150.04749	0.4
151.00264	0.4
157.02812	0.9
159.04401	0.9
160.48988	0.4
161.02313	0.7
163.03914	1.2
164.01131	0.5
164.04623	0.5
166.99713	1.1
168.00493	0.6
169.01318	3.9
173.02342	2.9
175.03949	2.0
177.01849	1.1
185.02376	3.2
187.03835	0.5
189.01846	0.9
190.02502	0.6
191.03471	1.8
200.01122	0.5
201.01869	3.4
202.02408	0.6
203.03430	2.8
203.37970	0.4
205.01260	0.7
213.01683	0.5
217.01390	1.6
218.91005	0.4
219.02951	0.9
226.99701	0.5
228.00528	0.4
229.01352	7.0
230.02086	0.5
231.02911	3.2
245.00845	4.9
247.02408	2.0
248.03259	3.6
249.03960	3.8
257.00882	4.7
258.01639	1.0
259.02521	0.5
273.00455	2.7
274.01208	1.1
275.01935	9.1
276.02255	0.5
283.99640	3.0
291.01523	1.4
299.99072	3.7
300.99878	100.0
302.00220	5.9
324.27899	0.4
519.31512	0.5
547.11005	2.0
633.07880	0.6
717.13062	43.5
717.38861	1.2
718.13269	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	715.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15285	0.8
55.01747	1.1
59.01245	10.3
62.02251	0.7
62.55315	0.8
69.03323	0.8
69.53352	3.6
69.53783	2.1
71.01253	29.3
72.99149	1.1
73.02814	9.5
75.00740	14.1
83.01238	3.9
85.02337	1.4
85.02821	16.2
85.03344	0.9
87.00734	1.6
89.02300	4.4
89.59123	0.7
93.03341	2.6
93.10136	0.7
95.01244	2.2
95.04909	1.0
96.95889	29.8
97.02818	1.9
98.95459	18.1
98.96307	2.7
99.00737	4.6
99.04395	4.2
101.02320	22.8
104.30622	0.8
109.02831	1.3
111.00755	2.4
111.33726	0.7
113.02319	8.7
119.03365	2.6
121.02827	5.1
122.03635	7.8
125.02322	3.1
127.03924	7.6
129.01822	6.3
129.21800	0.8
132.02065	1.0
133.02852	1.9
136.01512	1.1
140.31429	0.8
141.01817	0.9
143.03362	2.3
145.04987	3.7
147.04384	1.5
149.02344	71.8
150.03133	63.5
151.03439	1.9
153.05524	0.9
154.22794	0.8
159.02902	2.2
161.03186	1.2
161.04471	15.4
163.03831	1.3
164.04694	22.4
165.05479	80.1
166.05806	3.3
180.04147	5.9
181.04990	6.9
182.05742	1.7
193.08566	4.4
195.06552	60.1
196.07224	8.1
197.08076	2.1
203.05524	2.5
203.15042	1.0
211.09723	7.5
219.04968	2.0
235.08139	6.9
245.06613	9.9
263.07681	31.7
264.07944	1.4
289.09232	4.5
300.02628	1.1
301.03470	3.1
307.10345	58.8
308.10614	4.1
313.10519	0.9
315.12439	1.6
344.12613	17.0
345.12967	2.2
359.14981	100.0
360.15405	10.9
375.88812	0.8
389.15820	2.6
407.17062	37.6
408.17520	3.8
503.17484	1.9
692.13971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57236	0.1
55.72413	0.1
65.00185	0.3
69.50563	0.8
71.01231	0.1
73.57418	0.1
79.95609	2.9
83.01252	0.1
96.95891	100.0
97.95837	0.3
107.01288	0.6
109.02859	0.1
121.02847	0.5
125.02309	0.4
149.02333	0.3
151.00276	1.9
156.72534	0.1
163.00385	0.1
165.05508	0.3
166.99739	0.2
169.01324	0.5
178.99794	1.0
214.99843	0.1
234.10999	0.1
247.02505	0.1
265.84167	0.1
270.98865	0.1
273.03922	0.1
301.03519	7.7
302.03787	0.5
313.05664	0.5
566.57385	0.1
615.09955	1.5
616.10272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04802	0.2
58.48531	0.2
59.68140	0.1
63.53604	0.2
65.00185	0.4
71.01265	0.3
71.34013	0.3
71.34369	0.2
79.95604	3.0
83.01205	0.2
96.95888	100.0
97.95814	0.3
107.01275	0.8
109.02832	0.3
123.00743	0.6
125.02317	1.0
137.02327	1.4
148.29475	0.1
151.00276	2.5
163.00299	0.3
166.99808	0.4
169.01314	1.3
178.99788	2.6
193.01448	0.2
201.01877	0.3
271.02454	0.4
273.00409	0.2
287.01804	0.2
300.99927	0.7
316.02182	0.5
317.02991	9.3
318.03333	0.6
364.73706	0.2
372.98288	0.2
463.08792	0.2
510.15814	0.2
615.09888	6.8
616.10596	0.9
653.05078	0.4
713.47699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44641	0.4
57.03321	1.1
58.00478	0.4
59.00985	0.7
59.01252	7.5
69.61553	2.7
71.01248	6.6
73.02821	1.3
76.35714	0.5
78.95773	1.7
80.96352	0.5
81.03347	0.5
83.01259	0.6
83.04910	1.0
85.02833	1.9
87.00751	0.9
89.02310	4.3
95.01271	0.6
97.02847	0.6
97.06460	3.6
101.02326	4.7
106.10923	0.5
113.02317	2.4
119.03421	0.7
151.11191	13.5
152.99467	2.7
161.04468	1.3
169.12253	100.0
170.12593	5.5
171.10159	0.7
175.52208	0.5
179.05548	0.5
195.10161	2.0
213.11269	14.0
214.11668	0.5
225.11266	0.6
235.08269	1.5
253.09285	3.8
255.23193	3.6
277.21725	25.4
278.22021	2.3
292.99136	0.6
405.21158	0.7
431.19214	3.6
449.20258	9.8
450.20779	0.9
547.35895	0.7
691.38751	0.8
709.41602	92.3
710.41882	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.7
59.01250	6.1
70.42572	0.6
71.01245	4.8
73.02802	1.7
78.95779	3.7
80.96389	0.8
83.04893	1.5
84.02027	0.7
85.02828	1.1
87.00739	1.4
89.02311	2.6
95.04891	2.0
97.06467	6.5
101.02322	4.4
105.42825	0.7
113.02316	2.7
145.04959	1.3
149.09608	0.9
149.79782	0.7
151.11183	19.2
152.99451	5.0
161.04491	1.3
169.12245	55.3
170.12581	1.9
171.10149	1.4
184.67218	0.6
185.11789	0.6
195.10133	3.8
198.00798	0.6
207.10202	1.0
213.11258	10.4
219.75967	0.6
225.11342	1.3
235.08130	1.9
253.09216	3.3
255.23317	4.9
256.23599	0.8
277.21713	62.6
278.22095	5.0
400.79269	0.7
431.19073	3.3
449.20364	3.9
531.92560	0.7
551.20624	1.4
595.19647	0.9
691.38300	1.4
709.41541	100.0
710.41931	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	45.2
71.56547	8.2
71.56941	6.4
72.97553	6.1
89.02301	5.7
89.89242	5.4
96.95915	12.0
101.02314	9.6
115.47826	5.8
150.69055	6.0
171.10214	7.3
183.13824	10.4
199.09714	38.7
207.10194	15.3
211.13353	100.0
225.11298	13.1
235.08102	6.2
253.09306	6.1
293.21118	7.4
447.22433	8.2
506.42444	8.5
611.30408	6.5
629.31775	6.5
637.32263	8.8
709.36536	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	707.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	0.2
58.70794	0.2
59.01247	3.3
69.03325	0.4
71.01252	2.9
71.56395	0.4
72.99155	0.3
73.02821	0.6
77.91095	0.2
78.95773	3.3
80.02569	0.3
81.81532	0.2
82.03811	0.2
83.01314	0.3
83.04873	0.3
84.05132	0.2
85.02817	0.7
87.00768	0.3
89.02313	1.5
96.96864	0.2
97.02831	0.4
97.06418	0.2
99.00765	0.4
101.02330	2.3
113.02322	1.3
119.03397	0.4
144.14476	0.3
152.99483	4.2
155.10699	0.4
155.86697	0.2
161.04466	1.0
163.11201	0.5
167.14349	0.5
171.00519	0.3
171.10156	0.3
178.25584	0.3
179.05479	0.6
181.12260	0.5
183.13837	6.5
184.14276	0.3
193.12228	1.8
199.09743	0.3
207.10184	0.9
209.11768	1.6
210.12076	0.8
211.13332	100.0
212.13664	5.5
225.11235	1.5
235.08220	1.8
243.12340	1.1
253.09254	7.0
253.21683	0.4
254.09659	0.5
277.21707	52.7
278.22064	5.9
279.22473	0.9
293.09674	0.3
379.11847	0.4
429.21112	0.5
447.22284	3.8
448.22879	0.5
453.15121	0.8
471.16394	3.0
472.16632	0.4
689.36102	0.4
707.37659	3.6
708.37799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
61.98709	1.1
64.91861	0.6
65.00202	1.3
65.31599	0.5
71.01265	2.1
71.12386	1.2
78.95799	1.1
79.95584	0.8
83.01269	0.7
83.02400	0.9
83.92094	0.6
85.02822	0.9
89.56081	0.6
96.95898	3.0
101.02306	0.8
101.05961	5.0
107.01270	2.0
113.02327	0.7
123.00780	2.3
124.01543	3.5
125.02332	3.4
136.01558	0.6
137.02405	0.7
143.04889	1.0
145.02881	0.7
151.00244	4.0
152.01068	1.2
152.99443	0.9
161.02353	1.2
162.49663	0.6
163.00270	1.6
163.03984	0.7
164.01068	1.4
166.99792	2.1
169.01358	5.8
170.01558	0.6
177.01900	0.6
178.99754	4.5
187.03914	0.9
189.01927	0.7
189.81384	0.6
191.03561	0.8
203.03423	1.4
204.04161	0.7
214.02643	7.2
215.03366	1.3
217.01421	1.0
227.03473	0.7
231.02951	1.6
242.02141	5.9
243.02899	4.3
247.02312	0.6
259.02472	8.5
260.02774	0.6
270.01669	6.4
271.02463	41.4
272.02756	3.0
286.98721	1.5
287.01956	30.5
288.02457	3.5
298.98163	0.7
299.98883	1.2
300.99908	2.3
315.01465	10.2
316.02225	100.0
317.02737	9.3
430.28278	0.6
431.28516	0.7
552.94934	0.5
592.15497	0.6
607.12988	2.1
709.19836	52.0
710.20087	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.0
62.16361	0.3
69.03336	0.5
71.01253	3.3
73.02822	0.9
78.91444	0.3
78.95771	1.9
85.02834	1.0
87.00752	0.8
89.02312	2.1
95.01270	0.6
98.20576	0.7
101.02314	3.1
109.06504	0.4
113.02329	1.2
119.03378	0.4
130.21078	0.3
131.03441	0.3
133.04910	0.4
145.04999	0.7
152.99492	2.1
161.04453	1.3
165.12692	0.3
167.14265	0.5
168.38206	0.3
183.13795	4.3
193.12233	1.4
207.10161	0.4
209.11755	1.0
210.12160	0.9
211.13326	74.6
212.13669	4.3
225.11305	1.2
233.22713	0.4
235.08183	5.1
253.09248	8.3
253.21660	0.5
254.09642	0.3
255.23485	0.4
275.20395	0.4
277.21701	100.0
278.22040	9.6
279.22763	0.6
341.56390	0.3
409.06909	0.3
422.59680	0.3
429.21558	0.7
447.22513	1.0
453.15280	0.9
471.16312	1.8
513.30737	0.6
587.74274	0.3
598.91119	0.3
635.94421	0.3
707.37256	2.2
708.37592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.2
59.01248	2.7
64.38103	0.2
69.03320	0.4
70.53258	0.4
71.01250	2.6
73.02824	0.4
78.95754	0.3
83.01243	0.3
83.04864	0.3
85.02831	0.7
87.00746	0.4
89.02306	1.8
97.02818	0.2
101.02325	2.2
113.02324	1.2
119.03380	0.5
133.04968	0.1
143.03404	0.2
145.04965	0.2
150.96921	0.1
152.99524	0.2
155.10664	0.3
161.04518	0.8
165.12788	0.3
167.10667	0.3
167.14319	0.6
179.05511	0.6
181.12312	0.1
183.13821	6.4
184.14194	0.2
193.12277	1.8
211.13329	100.0
212.13661	5.1
235.08229	2.0
240.72044	0.1
253.09264	6.6
254.09650	0.3
259.20663	0.2
277.21707	56.9
278.22055	4.4
401.72430	0.1
429.21133	0.7
447.22351	3.9
448.22513	0.3
710.38092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88887	0.2
69.72955	1.4
79.95608	2.9
96.95890	100.0
97.95814	0.2
98.20451	0.3
125.02377	0.3
128.03557	0.2
163.34264	0.2
169.01321	0.4
217.01372	0.3
260.32312	0.2
271.02359	0.3
300.02676	0.5
300.99777	0.6
314.08002	0.2
315.90457	0.3
380.52518	0.2
597.72186	0.3
609.14423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24916	0.4
51.45362	0.4
59.01244	1.5
67.01759	0.7
69.03327	2.0
71.01257	1.5
78.44778	0.5
78.95780	0.9
79.01752	1.0
79.95589	0.6
81.03331	0.7
83.01240	0.7
85.02838	0.5
88.02434	0.6
89.02319	0.7
95.01257	1.7
96.95873	2.9
97.02827	2.1
98.19791	1.8
101.02336	0.8
106.31485	0.6
107.01267	5.7
111.00800	1.8
113.02296	1.0
117.03322	0.6
120.41908	0.5
121.02837	2.1
123.00734	5.2
124.01540	1.9
125.02332	77.1
126.02644	2.1
127.00272	0.8
136.98737	0.8
137.45934	0.6
139.00269	2.4
139.03911	0.9
140.01038	2.2
141.01900	0.5
145.02847	1.2
145.22211	0.5
147.04448	0.8
149.02380	0.7
150.03107	0.6
151.00255	1.8
153.01825	0.5
163.03931	0.8
166.06282	3.0
166.99762	1.3
168.00558	3.4
169.01332	100.0
170.01671	3.4
171.10181	0.7
181.08595	0.6
183.02908	3.5
209.11697	1.2
211.13254	1.2
225.11444	0.8
248.49733	0.5
248.84816	0.6
253.09244	0.5
269.08197	4.0
281.08054	0.6
283.09732	2.7
298.98291	0.9
299.09177	3.2
299.99091	1.2
300.99850	2.3
310.08246	0.6
311.09293	6.3
314.11511	6.6
315.11710	0.8
325.10950	1.1
326.11624	3.7
329.13913	5.0
341.13953	1.7
347.07703	5.1
429.20096	0.5
439.31955	0.6
495.12869	1.2
503.33569	0.7
507.12665	1.5
509.34671	1.8
651.35419	0.6
669.39960	0.9
671.40308	1.2
677.22278	6.1
678.22467	1.1
689.22034	2.0
689.33215	0.9
707.23389	41.3
707.36371	2.0
708.23932	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	705.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05402	1.0
52.92456	0.9
59.01248	5.0
61.98685	3.2
62.81905	0.9
63.37067	0.8
71.01260	5.3
71.56853	1.1
73.02821	1.3
76.07159	0.8
83.04893	4.8
87.00733	1.1
89.02312	2.0
95.01256	1.7
96.95880	4.4
101.02314	4.3
107.01245	0.9
111.33740	1.0
113.02307	1.1
119.03375	1.2
123.00758	4.2
125.02353	6.3
163.00285	1.0
163.11182	3.9
163.32840	1.0
165.12761	2.8
166.99739	2.2
168.00479	1.5
169.01344	10.1
169.12370	2.1
171.10167	3.7
171.55692	0.9
176.81108	1.1
179.05650	1.2
187.00232	1.3
209.11781	100.0
210.12151	6.4
211.13286	5.9
227.12880	16.2
228.13322	1.1
235.08157	2.6
245.01028	1.2
247.02473	1.3
253.09227	6.1
259.15506	1.0
270.98880	1.0
273.00427	2.6
299.98981	1.5
300.99936	6.1
445.21222	1.5
629.08130	1.2
705.36249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	10.4
61.98698	5.1
71.01254	8.6
72.90522	1.7
73.02843	2.0
80.02544	1.8
80.96384	2.5
81.03329	1.8
82.38297	1.8
83.04920	5.7
85.02864	1.5
87.00737	2.4
89.02334	4.6
90.72777	1.4
95.01276	3.1
96.95894	7.6
98.45650	1.6
100.33289	1.6
101.02329	6.1
109.06493	1.7
113.02319	2.8
119.03400	2.3
123.00777	2.5
125.02322	5.7
129.62218	1.5
161.04507	1.7
163.11217	6.6
165.12741	11.1
166.99797	1.5
169.01378	7.8
181.12343	1.8
183.13832	96.6
184.14206	4.0
199.13290	3.1
199.98549	1.5
209.11772	93.3
209.61221	1.4
210.12019	3.6
211.13338	9.7
211.55072	1.4
225.00421	1.6
225.11267	4.1
227.12849	18.6
235.08195	3.5
253.09238	8.5
270.98779	1.5
300.99982	4.1
313.89816	1.8
382.10080	1.8
445.20935	3.1
463.21954	3.5
613.84369	2.0
625.22089	2.0
655.33771	2.9
673.34320	100.0
674.34576	15.0
705.37073	7.0
706.38342	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	705.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42167	0.3
57.53591	0.3
59.01276	1.3
65.00197	0.7
67.01777	1.5
68.99713	0.6
69.02399	0.4
69.03352	1.0
69.35914	3.3
71.01285	1.1
72.99189	0.8
79.01405	0.3
79.01796	1.5
81.03349	0.7
83.01270	0.7
85.02879	0.4
89.02316	0.4
91.01188	0.3
95.01260	8.8
95.04892	0.4
96.95914	0.4
97.02844	0.9
99.00816	0.4
101.02332	0.8
105.03344	0.5
107.01261	2.5
107.04946	0.5
108.02075	1.5
109.02171	0.5
109.02827	2.2
110.00003	0.5
111.00753	3.4
121.02850	1.0
122.03643	0.9
123.00764	29.0
123.04399	3.1
124.01611	4.1
125.02333	21.5
126.02675	0.7
127.00315	1.3
134.03706	0.7
135.04419	2.4
136.01563	0.5
136.98737	1.4
137.02330	2.5
138.03172	0.4
139.00264	9.8
139.03909	4.2
140.01070	3.1
141.01834	3.2
146.03644	0.8
149.02351	1.8
149.06026	0.7
150.03142	6.0
151.00255	1.6
151.03908	6.6
152.01151	0.4
153.01735	0.7
153.05499	1.0
154.99722	0.4
155.98709	0.3
161.06015	0.5
162.03146	0.4
163.03917	5.2
164.04701	2.3
165.01854	0.7
165.05467	5.7
166.99773	12.2
167.03473	0.9
168.00546	10.2
169.01329	32.5
170.01756	0.9
177.05444	0.7
178.99797	0.5
179.07100	1.7
180.04169	0.7
181.01347	1.6
181.05005	1.5
182.02103	1.8
183.02904	18.6
184.03365	0.3
193.05011	0.5
194.99370	1.0
195.02913	4.9
195.06587	1.1
196.07320	0.7
197.04504	3.1
209.00829	0.4
209.04558	0.6
209.11763	0.4
211.09724	1.1
241.05145	0.4
257.04614	0.4
272.07101	0.5
273.00473	0.4
276.48056	0.4
299.05576	0.8
300.99948	0.7
302.08078	0.4
304.05887	0.6
316.09579	0.4
317.06589	0.4
318.07309	0.7
319.08185	0.8
329.06552	1.8
330.07239	0.6
331.08325	1.8
332.08917	1.2
333.06192	1.3
333.09848	1.2
344.08905	2.9
345.09634	0.6
347.07709	16.4
348.08423	10.2
349.08994	0.8
361.09299	6.0
362.10049	40.8
363.10760	19.5
364.11166	1.4
375.10641	1.6
377.12433	3.7
378.12900	0.4
417.11890	1.7
431.13577	0.5
435.12982	1.1
511.16537	0.6
541.17450	1.3
559.18188	48.4
560.18488	7.8
574.55365	0.4
705.23938	100.0
706.24280	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.2
61.98696	0.9
67.01749	2.6
69.84083	4.8
71.01242	2.5
72.99191	1.0
73.02824	0.8
79.01749	1.8
79.95620	1.1
81.03320	1.0
87.00722	2.5
88.98670	0.9
89.02306	1.6
93.35046	0.8
95.01262	11.7
96.00799	0.7
96.95898	3.8
97.02771	0.8
98.19836	0.9
99.00742	1.0
101.02272	1.7
107.01299	4.7
108.02074	0.7
109.02821	1.9
111.00742	3.4
111.31300	0.8
113.02327	1.7
113.86561	0.9
119.03416	0.7
120.14054	0.8
121.02823	2.0
122.03619	1.0
123.00774	35.4
123.04386	2.8
124.01612	4.4
125.02341	26.7
127.00266	1.0
135.04391	3.4
136.98679	2.0
137.02330	3.3
139.00266	10.4
139.03925	5.6
140.01105	3.9
141.01797	5.0
146.03619	1.1
149.02341	2.4
149.05937	1.1
150.03116	9.0
151.00266	1.6
151.03909	5.1
153.01863	2.7
153.05457	1.7
158.42258	0.8
161.02370	0.8
163.03918	7.4
164.04672	2.4
165.01813	0.9
165.05441	9.7
166.99776	16.4
168.00548	10.3
169.01338	42.0
170.01689	1.6
171.10161	0.8
177.05385	0.8
179.07063	2.3
181.01276	2.2
181.04884	1.0
182.02097	2.3
183.02913	23.3
184.03207	0.8
194.99245	2.3
195.02908	1.4
195.06480	4.6
197.04440	3.3
201.11208	1.0
209.04427	1.0
209.11775	2.6
214.99841	0.8
225.11301	1.1
227.12912	1.3
275.01889	0.9
298.98157	1.5
299.99026	1.0
300.99878	3.8
329.06793	1.8
332.09277	0.9
333.09848	1.1
343.08200	0.9
344.09018	3.7
347.07718	16.4
348.08401	11.0
355.23166	0.8
361.09241	8.1
362.10071	48.4
362.75653	0.8
363.10785	21.7
364.11081	2.0
375.10840	2.1
377.12375	2.8
393.56262	0.8
417.12137	1.0
525.16559	2.1
541.17010	2.4
559.18170	29.5
560.18488	4.1
626.24988	0.8
669.40839	1.1
705.23938	100.0
706.24231	18.2
706.35706	1.6
714.06818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75670	0.5
56.36942	0.5
64.22708	0.5
65.96394	0.4
67.01756	0.9
68.99697	0.7
69.03335	1.6
71.01274	1.1
71.57018	0.7
72.99186	0.7
75.62892	0.5
76.72652	0.5
79.01762	0.9
81.03333	0.9
83.01248	0.8
91.28246	0.5
95.01257	1.8
97.02846	1.6
106.00440	0.5
107.01266	5.7
109.02847	0.6
111.00768	5.7
121.02862	0.9
123.00764	10.0
123.04405	1.3
124.01571	3.7
125.02335	78.1
126.02670	2.4
127.00277	2.5
136.98735	3.5
137.02330	1.6
139.00272	7.5
139.03914	2.0
140.01059	8.9
141.01791	0.9
149.02342	1.6
150.03134	3.6
151.00279	6.1
151.03937	4.4
153.01851	0.9
153.05493	2.0
154.99701	0.6
162.03149	1.6
163.03865	0.9
165.05499	2.0
166.99738	0.8
167.03429	1.1
168.00554	10.9
169.01334	100.0
170.01677	3.4
177.01891	0.8
177.05507	1.3
181.01411	2.3
181.04980	36.4
182.05362	1.5
183.02924	6.0
195.02968	1.3
195.06615	1.0
196.07336	25.9
197.07704	1.0
211.09692	8.7
258.05219	0.7
259.05731	0.7
315.07147	0.7
317.06674	2.2
317.43109	0.6
347.07736	12.2
348.08121	0.9
382.78802	0.6
402.22589	0.5
457.60266	0.6
493.13519	28.0
494.13928	2.7
559.18225	19.7
560.18591	2.4
705.23932	78.9
706.24170	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02273	1.8
63.47334	0.9
65.00191	4.1
69.65581	1.1
71.09270	2.8
83.01256	2.5
85.56853	0.9
89.50681	1.0
93.03334	1.2
95.01257	1.4
98.43758	1.0
100.19583	0.9
105.17783	1.0
107.01275	8.4
109.07338	1.1
121.02836	6.0
123.00770	2.6
125.02327	6.2
149.02344	1.1
151.00269	30.2
151.52385	0.9
166.99800	1.8
169.01337	9.6
178.99756	13.6
189.01924	1.0
229.04799	1.7
273.04016	1.7
301.03528	100.0
302.03754	5.8
313.05765	5.3
615.09833	9.2
616.10785	1.6
705.21240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42538	36.4
71.04453	91.5
71.21758	31.2
78.95766	48.2
86.50683	37.6
88.51526	42.7
107.40184	39.9
130.32092	40.4
171.10144	100.0
255.23131	67.3
277.21631	98.0
380.80731	40.0
411.05411	41.2
721.26862	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.0
58.00457	1.6
59.01250	21.5
61.27806	1.0
61.98677	2.0
64.26134	0.8
69.03334	1.6
71.01250	44.6
71.57119	0.9
72.99179	2.8
73.02821	10.8
79.95632	1.4
81.03352	0.8
83.01268	2.4
85.02818	5.2
87.00760	2.2
88.03912	28.9
88.98688	0.9
89.02316	28.7
91.66346	0.9
95.01266	2.2
96.95877	3.4
97.02797	2.5
99.00759	22.6
101.02309	13.7
107.54241	0.8
111.00754	1.3
113.02328	5.2
113.02967	0.8
115.00261	14.0
119.03379	1.4
123.00758	3.3
125.02333	6.6
126.02665	1.0
131.03372	6.1
132.02917	5.3
149.04495	5.9
155.10596	1.2
161.04503	1.2
166.99809	2.0
169.01326	8.6
191.05574	5.9
209.11761	3.5
211.13455	1.0
218.05482	1.0
225.11304	1.4
227.12733	1.9
275.01892	1.1
295.22583	1.6
298.98328	1.9
299.99182	1.3
300.99731	5.0
339.15796	0.9
456.29602	1.4
457.27942	2.8
503.65472	1.0
504.24899	1.1
588.33765	4.2
589.32373	19.3
590.33118	2.2
660.36041	2.6
686.34174	2.0
687.32300	1.5
704.34943	100.0
705.35211	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	697.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05413	0.2
59.01251	100.0
60.01581	0.7
62.18591	0.2
71.01269	0.3
71.56927	0.4
77.47233	0.2
79.95618	0.4
86.94062	0.2
90.02596	0.2
96.95898	0.5
121.02844	2.2
140.84467	0.2
169.01428	0.3
171.10307	0.3
178.59985	0.2
191.03481	1.0
209.04500	1.5
217.00369	0.4
300.99915	0.5
365.00085	0.3
374.98859	0.2
593.13428	0.7
620.10059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
63.60997	0.4
66.22537	0.4
69.75443	2.7
78.95775	0.6
98.63371	0.4
109.24789	0.4
131.07532	0.4
180.48537	0.4
181.95181	0.4
277.53018	0.4
291.06241	0.4
437.12585	0.6
438.13336	4.4
439.14023	0.7
451.14322	0.6
452.14838	2.0
453.15417	0.8
455.10114	0.7
461.20255	0.5
467.13446	1.1
470.12335	0.7
474.43890	0.4
480.14444	1.1
481.15146	31.6
482.15558	7.6
484.13528	0.5
495.16760	11.7
496.17059	2.5
497.18289	5.2
498.18643	0.4
514.15009	2.2
523.16028	0.8
525.13959	1.1
539.15912	1.9
540.16571	6.9
541.17126	1.4
553.17462	0.8
554.18054	2.8
555.18835	52.5
556.19147	9.3
567.18768	1.2
568.18542	0.6
572.15466	15.1
572.24213	0.9
573.15662	2.8
586.17078	6.6
587.17419	1.3
600.19940	0.5
609.19647	1.2
621.27032	1.9
622.26868	0.4
627.20947	0.9
641.22552	25.2
642.23041	4.7
701.24622	52.7
702.12921	0.9
702.24933	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	697.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66082	0.1
59.01246	0.4
63.02257	0.2
71.01245	0.2
71.55909	0.3
78.95745	0.2
79.95605	3.0
80.96371	0.2
89.02319	0.2
96.95890	100.0
97.95818	0.4
101.02354	0.3
107.01272	0.5
109.02792	0.2
121.02844	0.4
123.00800	0.3
125.02321	0.5
151.00261	1.6
159.02954	0.1
166.99754	0.2
169.01340	0.9
170.15070	0.2
178.99768	0.6
187.00323	0.2
245.04506	0.2
273.00577	0.2
273.04016	0.2
298.98712	0.2
299.98975	0.2
300.99915	0.5
301.03467	5.4
302.03766	0.3
375.52084	0.2
479.23682	0.2
508.99738	0.2
533.00317	0.3
599.10577	1.6
600.10791	0.2
617.22754	0.3
637.04987	0.8
638.74896	0.2
669.04095	0.2
697.06726	0.2
697.17456	0.3
697.37408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01488	0.7
59.01250	100.0
60.01583	0.7
62.97132	0.6
70.42924	1.9
73.68902	0.6
78.95776	13.4
93.18944	0.8
94.46789	0.8
98.10793	0.7
152.99493	2.1
154.03743	0.8
179.21759	0.7
205.15874	1.5
217.08455	0.7
234.17453	0.7
255.23242	1.6
279.23184	1.7
314.51398	0.7
415.22540	1.3
537.16779	0.7
566.99792	0.7
695.31030	52.1
696.31512	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	697.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
69.22900	1.1
71.01257	0.4
71.48341	0.1
79.95607	2.7
83.01283	0.1
85.02814	0.1
88.03833	0.1
89.02320	0.1
95.01264	0.1
96.95889	100.0
97.95835	0.3
99.28785	0.1
101.02293	0.2
104.35043	0.1
107.01291	0.2
107.51356	0.1
111.00726	0.1
113.02400	0.1
115.00222	0.2
123.00753	0.5
125.02332	0.7
128.94595	0.1
139.00250	0.2
151.00281	0.3
163.00218	0.1
164.01108	0.1
165.01781	0.1
166.99849	0.2
169.01361	1.1
177.01913	0.1
201.01848	0.1
217.01291	0.1
224.09306	0.1
229.05064	0.1
248.62398	0.1
257.04480	0.1
257.34952	0.1
285.04047	4.3
286.04407	0.3
288.99609	0.1
291.01459	0.1
300.99991	0.4
307.10428	0.2
313.05646	1.9
314.06055	0.2
359.15121	0.2
363.20316	0.1
599.10303	0.2
637.04858	0.1
697.24164	0.1
697.36432	0.3
725.91907	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03323	0.9
58.00463	0.7
59.01253	16.5
61.98705	0.9
69.03326	0.7
71.01255	14.4
71.56863	0.6
72.99159	1.2
73.02812	2.1
78.95761	1.7
83.01274	1.4
85.02805	3.2
87.00771	2.9
89.02314	10.6
90.43816	0.6
95.01245	1.0
96.95865	2.1
97.02840	2.2
99.00747	1.0
101.02335	9.1
113.02321	4.6
116.51892	0.6
119.03393	4.1
123.00808	0.9
125.02341	5.0
143.03377	1.6
152.99469	1.6
156.10149	0.6
161.04443	1.8
166.99809	0.7
169.01335	2.4
179.05583	3.8
179.14305	0.6
183.13687	0.6
195.13818	6.9
195.72963	0.7
196.14511	0.9
207.10313	1.2
209.11774	1.5
211.13315	3.5
223.13445	5.6
235.08176	2.7
243.58635	0.7
253.09308	0.9
275.20169	4.0
277.21637	1.6
293.21234	100.0
294.21582	7.9
300.99826	1.7
302.00412	0.7
312.40213	0.6
397.13498	21.6
398.13852	1.5
415.14557	22.7
415.19922	1.3
416.14792	2.0
454.88788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68285	0.3
53.74567	0.3
55.01753	0.4
57.03323	0.9
58.00463	0.8
59.01251	15.9
61.98701	1.1
67.04707	0.3
69.03325	0.6
71.01254	13.4
71.25259	0.7
72.99177	1.0
73.02821	1.7
75.00722	0.3
78.95780	1.2
81.03384	0.4
83.01252	1.3
85.02828	2.7
87.00760	2.9
89.01760	0.6
89.02313	11.3
95.01240	1.2
96.05269	0.4
96.95877	1.2
97.02827	2.0
99.00759	0.6
101.02325	10.6
113.02313	4.5
113.04234	0.4
113.09533	0.4
119.03393	3.8
123.00726	0.8
125.02335	4.6
131.03313	0.4
133.04938	0.6
143.03407	1.5
146.69176	0.3
152.99477	0.6
161.04448	2.3
166.99770	0.6
169.01294	1.7
171.10159	0.5
173.02362	0.4
179.05530	2.8
179.14365	0.8
195.13841	7.1
196.14322	0.9
205.12259	0.7
209.11728	0.6
211.13235	1.2
221.06516	0.5
223.13350	5.8
224.13689	0.7
228.13670	0.8
235.08215	3.5
245.00880	0.4
253.09195	1.0
256.13132	1.0
263.07791	0.5
265.21777	0.4
275.20114	4.6
276.20648	0.4
277.21768	0.8
287.07687	0.8
293.21216	100.0
294.21552	9.3
298.98322	0.5
300.99854	1.4
305.08688	0.6
323.09775	0.6
379.12015	0.5
396.58817	0.3
397.13498	22.6
398.13980	1.6
415.14542	25.5
416.14865	2.0
438.40286	0.4
489.04605	0.3
512.02594	0.4
512.52039	0.4
513.53021	0.4
691.34637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2242
Annotation	curcumin diglucoside
Peak:m/z	Relative Intensity
50.96952	0.8
59.01245	2.5
63.60828	0.9
67.01762	3.4
69.03324	1.1
71.01250	4.5
71.56711	1.9
72.99163	1.2
73.02777	1.3
74.52839	0.9
79.01772	2.7
83.01244	2.1
85.02834	1.6
87.00726	1.4
95.01257	4.9
96.95892	4.4
97.02858	1.5
107.01283	6.2
108.02057	2.7
109.02774	1.7
109.99824	1.0
111.00766	7.8
116.58972	1.1
121.02876	1.3
122.03556	1.3
123.00764	34.7
123.04414	1.8
124.01546	4.2
125.02341	24.6
126.02737	1.1
127.00232	3.8
135.04355	1.4
136.98712	4.1
137.02356	2.2
139.00281	12.4
139.03839	2.5
140.01064	12.7
141.01810	4.2
144.88176	1.0
145.02844	1.3
149.02327	3.5
150.03127	8.4
151.00266	6.9
151.03819	1.2
164.04681	2.0
165.05475	4.4
166.06221	2.1
166.99789	11.5
167.06958	1.4
168.00560	24.2
169.01340	46.6
170.01611	1.5
173.02415	1.0
177.03943	3.5
179.03271	1.2
181.08592	1.2
182.02148	1.4
183.02908	6.2
195.02966	1.0
211.02380	8.9
225.03874	2.8
241.03551	1.4
249.08960	1.0
270.98895	1.5
271.04465	3.2
285.06079	1.4
297.06284	1.3
298.98318	2.5
299.98984	2.4
300.99802	4.6
313.05551	1.4
315.01392	1.3
329.05179	3.3
491.19452	1.4
493.13339	2.3
494.14319	23.5
495.14859	8.3
509.16501	2.5
529.16956	2.5
549.16113	8.8
643.20258	7.8
655.20813	2.9
673.21252	15.7
674.21191	2.5
691.22327	100.0
692.22778	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38306	0.6
55.01748	0.8
57.03328	0.9
59.01246	6.3
59.33730	0.7
62.81482	0.8
67.01762	2.2
68.26181	0.6
69.03323	2.2
69.71654	3.6
69.75829	0.6
71.01253	8.1
72.99182	1.7
73.02827	1.6
79.01786	1.7
81.03352	1.0
83.01264	2.5
85.02836	2.5
87.00745	0.9
89.02307	4.2
95.01249	5.0
96.95895	7.1
97.02851	2.9
98.53232	0.5
99.00751	1.1
101.02326	5.0
101.05240	0.6
107.01271	8.8
111.00756	4.8
113.02329	2.7
119.03421	1.6
121.02846	1.7
121.11193	0.6
122.03639	1.6
123.00763	18.1
124.01573	4.4
125.02335	93.0
126.02680	2.0
127.00242	1.3
133.02785	1.2
135.04448	0.9
136.98674	3.2
137.02342	1.7
139.00272	7.1
139.03888	1.6
140.01065	6.6
141.01828	2.5
144.84900	0.6
149.02370	3.9
150.03125	13.2
151.00262	10.5
154.99806	0.9
161.02345	1.0
162.03136	2.5
163.03908	1.1
164.04774	0.7
165.05496	12.8
166.06229	4.9
166.99759	3.9
168.00562	20.0
169.01332	96.9
170.01724	3.4
177.05554	1.7
179.05498	1.7
180.04179	1.1
181.01360	0.8
181.08615	4.2
182.97557	0.6
183.02882	5.3
192.00818	0.7
195.06577	3.4
214.99756	0.8
245.00807	1.1
247.02686	0.7
270.98883	1.2
273.00385	1.5
275.02100	1.0
298.98398	0.8
299.01752	1.1
299.99030	1.7
300.99945	3.3
302.00272	0.7
322.24878	0.6
329.13895	2.2
343.14154	2.0
347.07660	6.7
348.08185	0.7
398.11313	0.7
431.06268	1.7
485.71954	0.6
491.19260	10.2
492.20010	0.7
493.09741	0.8
494.14352	0.8
539.21222	8.5
540.21893	1.5
559.18396	1.2
673.21649	1.0
691.22339	100.0
692.22797	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	691.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
69.82051	1.4
69.82459	2.6
71.01277	1.0
79.01755	1.4
83.01304	1.0
92.21934	0.6
95.58852	0.8
98.19873	1.0
105.03349	0.8
107.01273	1.7
109.02890	1.1
112.93609	0.7
121.02844	2.6
123.00796	1.1
125.02358	2.5
131.01285	1.7
133.02844	1.3
135.04405	0.7
136.01570	2.3
137.02348	1.1
149.02400	1.3
151.00293	4.4
163.00287	4.5
164.01064	2.4
165.00087	13.7
165.01842	6.4
169.01396	1.8
175.00246	4.8
177.01831	2.0
179.98788	1.4
189.30240	0.8
190.99748	1.0
192.00369	0.9
192.99629	1.1
193.01343	2.7
200.98633	0.8
201.78865	0.7
205.01338	1.2
217.01349	1.1
225.05405	1.0
253.05231	0.8
269.04538	2.9
270.05344	1.5
297.04031	4.4
300.99796	1.3
302.02579	1.3
313.01788	3.3
316.00351	0.7
317.01257	2.9
329.01324	6.7
330.01993	13.3
331.02521	0.9
341.01160	4.8
346.48956	0.7
357.00742	1.2
358.01324	3.7
359.02240	7.6
362.01007	2.1
370.01541	2.1
371.02200	3.7
373.58240	0.6
385.00208	1.9
387.47180	0.8
389.03329	10.4
390.03696	0.8
401.03217	1.7
431.04535	1.0
461.05630	4.4
479.06100	1.6
491.06564	14.8
492.06830	2.2
594.92505	0.8
611.10718	100.0
612.11029	13.4
691.06390	22.9
692.06757	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	7.0
57.03321	5.4
59.01251	32.9
61.98693	2.8
64.14843	1.7
65.28368	1.9
67.01749	1.9
69.03320	2.8
69.55676	12.6
71.01250	34.7
71.04898	1.8
72.99171	3.5
73.02814	9.3
74.18106	2.0
75.00757	2.7
79.01773	2.1
80.92387	1.8
83.01267	5.9
83.04913	5.6
85.02829	18.8
86.76862	1.5
87.00745	6.5
89.02316	5.8
95.01268	6.5
95.04932	3.7
96.95913	8.7
99.00763	7.5
99.04392	4.3
101.02326	21.8
107.01260	4.5
107.04885	2.7
109.02787	2.2
109.06487	4.2
111.00752	6.6
111.04404	6.8
113.02315	10.3
121.02861	4.4
122.03645	6.2
123.00765	16.5
123.04416	5.0
123.08054	5.5
124.06124	1.6
125.02340	25.3
127.07551	2.6
127.11134	2.1
133.06516	3.4
135.04396	4.2
136.05220	23.8
137.05988	81.0
138.06346	2.2
139.03857	2.7
139.48244	1.7
140.87291	1.7
146.03606	1.8
149.05980	3.9
150.06761	5.4
151.07556	89.9
152.07922	5.0
155.07040	7.4
156.61906	1.6
161.02374	2.4
161.04451	4.6
162.03210	2.0
163.03845	1.6
163.11224	3.8
164.04723	2.4
165.09111	17.0
166.99799	11.0
168.00519	1.8
169.01343	26.0
171.10172	13.3
173.02322	2.1
178.06235	4.8
189.01825	2.1
193.08653	41.0
194.08942	3.4
199.13332	4.0
201.01828	2.1
201.11285	4.0
201.15013	2.5
203.03345	2.0
207.10262	5.0
209.11774	29.1
209.13544	3.1
211.02422	2.5
211.09715	2.7
217.01363	3.7
225.11256	12.8
227.12817	4.5
228.13504	1.7
229.01460	2.3
234.19473	1.7
243.12314	2.1
245.00952	4.2
253.09378	2.5
270.98749	4.7
273.00339	3.5
298.98297	5.3
299.99048	4.8
300.99884	18.7
371.27835	12.6
429.19333	2.8
461.20862	2.4
467.33612	5.6
477.30548	15.6
494.32028	2.0
509.90631	1.9
515.32361	2.8
533.33282	87.9
534.33838	11.5
551.34351	84.4
552.34772	11.6
596.19305	1.9
611.37781	4.5
629.39026	100.0
630.39496	18.3
643.08685	2.1
643.40436	3.8
671.40210	58.6
672.40924	10.5
689.16681	4.0
689.33667	8.5
689.41742	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	689.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	7.1
55.36309	1.6
57.03308	5.4
59.01251	46.5
61.98694	6.9
65.00172	1.8
67.01756	2.1
69.03309	2.3
70.90010	5.2
71.01250	43.6
71.04874	2.7
72.99159	4.9
73.02823	10.4
79.95592	2.1
81.03313	2.3
83.01254	7.4
83.04884	4.0
85.02817	16.3
87.00755	3.8
89.02319	18.9
93.03355	3.0
95.01236	10.6
96.95873	6.1
97.02802	2.6
98.84087	1.7
99.00755	5.2
99.04420	3.3
101.02325	27.4
107.01252	4.4
107.04980	2.3
109.06459	7.9
111.00738	3.3
111.04392	3.8
111.08030	2.9
111.35854	1.7
113.02336	15.9
113.05947	1.8
119.03386	5.1
119.04909	2.3
121.02829	4.2
122.03642	2.5
123.00758	24.2
123.04385	5.6
123.08064	4.4
125.02351	27.1
127.07477	3.2
133.06477	3.5
135.04408	3.9
136.05180	12.9
137.02356	2.5
137.05978	94.3
139.00272	3.3
139.07570	2.6
140.01012	3.1
141.01761	2.1
143.03395	2.2
145.02914	2.0
149.05995	3.6
150.06741	5.9
151.07542	41.8
155.07042	8.9
161.04413	5.2
163.11165	6.0
164.04732	2.1
165.09134	20.9
166.99780	15.7
168.00519	3.0
169.01347	38.0
171.10193	17.6
173.02295	2.5
175.03847	2.5
175.07501	2.0
177.01820	2.7
178.06276	2.7
180.49257	2.1
181.12239	2.6
187.00275	2.5
190.02646	2.1
191.03435	2.8
193.08624	37.4
197.11707	3.2
199.13426	2.0
201.01794	2.5
201.11302	4.2
207.10144	5.2
209.11754	51.5
210.12117	3.1
211.09830	2.3
214.99745	3.6
217.01300	4.0
225.11232	18.1
227.12805	7.6
229.01320	2.6
242.99147	4.3
245.00862	5.0
247.02470	4.2
253.09167	4.9
256.70447	1.8
270.98846	7.5
273.00284	6.9
275.01981	4.0
298.98199	10.4
299.98920	5.3
300.99893	23.1
302.00253	2.1
353.26871	4.0
371.27936	11.4
372.28262	2.7
382.31320	1.9
403.21289	5.0
416.94553	2.0
449.32782	12.3
467.33566	4.5
477.30948	12.4
478.31287	2.8
491.33972	3.3
509.34372	2.9
527.28644	3.5
533.33319	77.9
534.33752	10.6
551.34363	100.0
552.34869	10.0
629.39056	86.5
629.49481	4.2
630.39020	14.1
643.40674	2.6
671.40289	51.1
672.40454	11.3
689.32013	4.6
689.40741	11.1
690.24091	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	689.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56281	0.2
59.01250	0.4
63.84694	0.2
65.00197	0.8
67.01762	1.1
68.07246	0.2
69.03326	0.5
70.70386	0.6
70.70724	0.3
71.01258	0.6
71.06445	0.2
72.99172	0.8
79.01752	0.7
81.03307	0.4
83.01254	1.1
87.00733	0.4
93.03294	1.3
95.01246	2.5
95.04900	0.8
96.94317	0.3
96.95889	0.4
97.02847	1.3
99.00772	0.3
105.03358	1.1
106.04140	0.4
107.01257	2.2
107.04908	5.4
108.02021	0.3
109.02827	0.9
109.99975	0.5
111.00771	3.7
121.02841	10.3
123.00764	8.9
123.04413	6.3
124.01539	2.8
125.02333	10.3
126.37979	0.2
127.00248	1.5
133.02850	0.5
134.03639	1.1
135.04401	1.1
136.98700	3.1
137.02367	2.6
137.22208	0.3
139.00253	4.5
139.03880	1.3
140.01059	6.8
141.01828	1.4
149.02354	2.6
149.05968	1.1
150.03125	5.0
150.96590	0.3
151.00264	1.3
151.03909	22.5
152.04260	0.8
153.05479	4.6
153.67747	0.3
154.02472	0.3
154.99750	0.6
161.02324	0.5
163.03896	0.8
164.04692	1.0
165.01920	0.3
165.05452	0.6
166.02628	1.6
166.06261	36.0
166.99747	3.0
167.03418	0.6
167.06593	1.7
168.00542	7.6
169.01331	15.7
170.01706	0.4
177.01840	1.7
179.07059	0.4
181.04982	76.5
181.08534	11.4
182.05301	3.2
182.08890	0.5
183.02858	2.4
193.01344	0.9
194.02124	1.7
195.02907	22.8
196.07332	70.0
197.07651	3.3
199.07660	0.3
209.00874	2.8
211.09691	36.4
212.10023	2.0
225.05521	0.3
228.07967	0.5
241.05013	0.3
243.06512	0.4
247.02654	0.3
257.04605	0.3
270.05099	0.3
272.06888	0.6
287.09244	2.4
297.18884	0.3
300.99829	0.8
303.81281	0.3
317.10373	0.8
331.08206	22.2
332.08572	1.9
361.09338	4.9
362.09290	0.4
477.13947	7.4
478.14322	1.2
494.48309	0.3
507.14999	3.3
508.15189	0.5
509.14508	0.5
543.18683	19.1
544.19299	2.0
689.24426	100.0
690.24823	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	689.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.1
60.71345	0.5
65.00182	0.6
67.01759	1.2
69.03323	3.2
71.01248	3.7
72.99191	0.8
79.01756	1.2
81.03307	0.7
83.01264	1.3
85.02835	1.4
89.02324	0.9
95.01263	2.6
96.95904	2.1
97.02836	2.3
101.02329	1.2
107.01267	6.8
111.00798	2.8
113.02345	2.0
116.92709	0.6
121.02848	1.5
123.00780	9.5
124.01558	2.1
125.02336	82.1
126.02669	2.7
127.00185	0.7
136.98717	1.3
137.02365	1.1
139.00246	3.7
139.03983	0.6
140.01071	1.8
141.01834	1.1
147.04543	0.7
149.02327	8.1
150.03125	1.3
151.00253	2.9
151.03902	0.8
153.01808	0.8
161.02434	1.0
163.04015	0.6
164.04691	8.5
166.99777	2.8
167.03456	0.7
168.00574	5.0
169.01340	100.0
170.01651	2.9
175.00192	1.2
175.02446	0.7
176.00974	0.6
179.03465	0.9
179.07008	1.2
183.02890	1.0
190.02574	2.9
191.03462	2.0
193.01326	2.1
194.02170	0.8
195.06743	0.6
205.01491	0.7
205.05084	2.8
206.05739	1.3
208.03650	2.2
209.04462	2.2
211.02437	5.0
220.81714	0.6
223.02667	1.1
223.06053	10.2
224.06403	0.7
241.97240	0.6
245.00830	0.8
247.02290	0.6
253.03339	0.7
265.07239	1.1
273.00394	0.9
275.02206	0.7
295.04626	0.9
295.08093	1.7
298.98233	0.8
301.00018	3.3
367.10117	1.2
398.12808	0.6
519.11426	9.6
520.11591	1.6
537.12494	15.7
537.19562	0.6
538.12903	1.6
642.89899	0.7
689.13416	42.5
689.33704	1.2
690.13666	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	689.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
61.90849	0.3
64.39864	0.2
65.00229	0.3
67.01738	0.4
69.03320	2.0
70.90239	0.5
71.01247	1.4
76.03973	0.2
79.01762	0.5
81.03337	0.7
83.01279	0.3
89.02336	0.7
95.01266	1.3
96.95889	0.9
97.02821	1.7
97.31937	0.2
101.02365	0.3
107.01263	4.2
107.97400	0.2
111.00764	0.6
113.02328	0.7
121.02828	0.3
123.00755	2.3
124.01601	1.1
125.02335	62.3
126.02643	1.6
136.05115	0.2
139.00253	0.7
139.04016	0.2
140.01048	0.4
145.02817	0.3
149.02307	2.1
150.02994	0.4
151.00285	0.9
152.75345	0.2
161.02428	0.3
163.03969	0.4
164.04712	1.4
165.09114	0.3
166.99774	0.7
168.00557	1.9
169.01335	100.0
170.01694	3.4
175.00285	0.5
177.01860	0.3
179.05661	0.3
179.07079	0.3
183.02966	0.4
190.02629	1.1
191.03416	0.4
193.01355	0.7
205.04973	1.0
208.03592	0.2
211.02420	0.7
217.01576	0.3
223.06049	1.7
245.00928	0.4
247.02666	0.3
273.00342	0.5
275.01990	0.4
295.08112	0.3
298.98401	0.3
300.99829	1.4
309.95502	0.3
313.05539	0.3
460.18597	0.2
519.11432	6.4
520.11530	1.2
537.12561	3.3
629.31573	0.4
689.13043	3.2
689.22705	0.3
689.38257	1.3
690.13867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09626	2.9
50.43438	2.6
55.01753	3.6
57.03326	5.8
57.43314	2.5
59.01244	33.3
61.98695	6.7
63.06942	2.4
67.01787	3.1
71.01241	27.5
71.56293	3.9
72.99178	4.7
73.02822	11.9
78.95789	7.0
79.95623	3.6
80.80094	2.4
83.01258	6.8
83.04904	4.1
85.02824	15.3
87.00751	7.4
89.02316	7.6
95.04900	4.1
96.09750	2.4
96.95889	10.4
97.02872	3.8
99.00774	5.5
99.04384	5.0
101.02325	19.1
109.06483	4.2
111.00797	4.2
111.04380	3.5
113.02351	9.1
117.26965	3.0
121.02837	5.0
122.03657	3.4
123.00797	9.8
123.04397	5.1
123.08066	5.2
125.02296	12.4
125.09604	3.5
135.04437	4.6
135.08057	3.4
136.05197	19.9
137.05986	83.4
139.00262	3.3
149.06012	4.6
149.09645	3.0
150.06744	5.6
151.07550	67.1
152.07959	3.1
155.07025	7.9
161.04489	4.2
165.09094	18.7
166.06398	3.1
166.99794	4.8
169.01318	16.9
171.10211	4.8
175.07552	5.4
178.06268	4.1
191.95334	3.7
193.08606	35.9
197.11707	12.7
207.10222	5.3
209.11775	20.0
211.09654	4.1
211.13333	3.2
217.01373	3.0
225.11276	5.1
227.12854	3.6
250.56398	2.7
255.23212	4.0
273.00635	3.3
299.98975	3.2
300.99847	11.1
317.02884	3.4
369.26627	8.1
442.18625	2.6
457.28174	3.3
465.32382	5.1
475.29202	11.0
476.29694	3.5
507.33490	4.0
531.31720	82.5
532.31995	5.0
549.32751	94.4
550.33167	13.0
627.37524	100.0
628.37708	16.9
643.37225	4.0
651.38379	3.6
669.38702	57.5
670.38440	10.7
687.32422	22.4
687.41504	6.4
688.32208	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	687.3961
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
52.54812	0.4
54.06353	0.4
55.83510	0.4
57.03322	0.9
59.01244	1.6
61.98695	0.4
71.01250	1.3
71.20806	1.1
72.28716	0.4
75.37266	0.4
85.02820	2.0
87.00771	0.6
89.02301	0.7
95.01273	0.6
96.95887	0.8
101.02325	1.0
111.04430	0.5
113.02354	0.6
113.05943	0.4
120.99531	0.4
121.02808	0.8
123.00761	1.3
123.08035	0.9
125.02341	1.6
125.06041	0.4
135.08040	1.0
136.05139	0.6
137.09622	0.6
149.05969	5.4
150.06772	44.5
151.07285	1.9
157.12309	0.7
161.09680	0.8
162.06815	0.6
163.07552	9.2
164.08345	8.0
165.01825	0.8
169.01347	1.7
171.10204	0.5
176.08286	0.7
177.09163	0.8
178.09941	2.8
179.10695	20.3
180.11009	1.2
193.08734	0.6
275.02124	0.5
300.99841	1.2
301.03186	0.4
313.05399	0.5
314.79932	0.4
343.24954	1.0
345.22800	5.4
373.25900	0.6
430.03940	0.4
446.30368	0.8
461.32709	1.2
462.33426	0.5
464.31418	6.2
465.31635	1.0
478.32870	0.9
479.33871	8.9
480.34299	1.0
506.32407	1.3
507.33279	2.5
524.26532	0.4
524.33405	2.6
525.34296	27.3
526.27515	0.6
526.34619	4.3
605.09338	0.6
616.78827	0.5
670.30731	0.5
687.39612	100.0
688.39966	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.4
61.98678	2.5
63.24696	0.8
65.06108	0.9
67.01731	1.9
69.03320	1.2
69.91344	2.8
69.91740	1.6
71.01233	3.0
79.01767	1.6
81.03299	1.0
83.01252	1.6
85.02846	1.2
87.00731	1.5
89.02306	2.1
95.01263	7.4
96.95873	2.8
97.02820	2.3
101.02291	1.5
107.01256	5.4
109.02835	1.6
111.00764	4.8
116.73742	1.0
121.02843	2.0
123.00764	28.2
124.01526	3.3
125.02340	25.4
127.00264	1.7
136.01476	1.2
136.98695	3.0
137.02338	4.0
139.00250	9.5
139.03940	6.4
140.01053	6.0
141.01807	3.6
149.02356	1.4
150.06816	4.5
151.00276	3.8
153.01843	1.8
153.05470	1.3
163.07449	1.4
164.04597	1.1
166.99762	9.5
167.03363	1.1
168.00540	9.0
169.01340	27.3
179.10681	2.0
181.01358	1.7
182.02019	1.1
183.02922	10.3
195.02940	2.4
197.04541	1.7
225.11362	1.2
256.03693	1.3
269.04050	0.9
283.23520	1.0
297.07761	1.3
298.08582	1.8
299.98941	1.1
300.99915	2.3
313.10669	1.0
315.08527	1.3
329.10095	1.7
330.11038	2.4
331.08163	2.3
331.11755	1.0
332.08694	1.5
341.10281	2.6
342.11026	3.3
345.09671	1.4
345.13400	6.9
346.10535	2.2
357.13370	2.6
359.14914	1.8
375.10757	2.9
464.11017	1.9
465.11896	1.5
466.08667	1.9
475.10223	2.5
476.10733	1.7
479.13336	1.5
480.10229	1.4
481.11255	5.8
489.10678	1.5
493.11530	4.8
495.13156	2.3
496.13800	12.7
497.13885	2.2
507.13297	1.0
508.13837	9.7
509.14691	3.4
511.16071	68.4
512.16608	7.1
519.11682	2.3
523.03937	1.5
523.16071	24.3
524.16327	3.4
524.33142	2.0
525.33588	1.9
531.62036	1.1
541.17139	51.1
542.17462	7.5
657.21918	2.1
686.38361	8.2
687.22894	100.0
687.40430	9.1
688.23315	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	685.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16310	0.3
55.01757	1.9
57.03328	2.3
58.00456	1.1
59.01249	20.0
62.77543	0.3
69.03326	0.6
69.58821	0.3
69.62227	1.6
71.01253	21.9
72.99185	1.6
73.02814	6.8
75.00725	0.5
83.01251	4.9
83.64870	0.3
85.02829	9.8
85.99973	0.4
87.00742	1.7
89.02311	7.1
95.01264	2.4
96.95877	0.5
97.02832	0.4
98.20613	0.6
99.00744	2.7
101.02322	15.9
102.02673	0.4
111.00770	3.8
113.02327	7.4
119.03402	2.2
123.00744	0.4
123.08022	0.3
125.02327	1.1
127.11163	0.4
129.01848	0.9
135.04353	0.5
141.01814	0.7
143.03432	0.4
155.10687	0.5
157.12274	0.8
159.02895	1.4
161.04465	1.1
169.01367	1.4
171.13821	0.4
183.13708	0.3
187.13307	1.0
201.14885	0.7
276.43729	0.3
300.99789	1.2
315.25424	0.4
315.35550	0.3
350.42938	0.3
359.27878	0.9
361.29614	6.4
362.29788	0.5
378.23447	0.3
408.44592	0.3
505.33621	0.3
523.34851	8.3
524.35107	1.1
528.54779	0.3
615.17670	0.3
685.40106	100.0
686.40515	16.7
686.52344	0.8
710.05621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03653	1.0
55.05107	0.9
57.03315	1.4
57.37500	0.9
59.01254	12.7
69.03310	1.5
70.32331	2.4
71.01259	11.7
72.99173	1.8
73.02789	1.7
77.14285	1.0
78.95763	0.9
83.01273	1.9
85.02819	4.1
87.00745	2.5
89.02318	12.0
95.01244	1.4
95.04887	1.1
96.80672	0.9
96.95880	3.1
97.02808	6.6
98.19822	1.2
99.00751	3.8
101.02341	5.1
113.02304	1.8
119.72777	1.0
121.02833	3.3
122.03182	1.0
123.00764	3.5
125.02354	4.6
131.03383	1.9
137.09637	1.7
149.04437	4.7
150.06770	32.5
150.07976	1.6
151.07422	1.7
152.99484	2.1
153.09094	1.4
156.54295	1.1
163.07526	5.5
164.08348	6.7
165.01869	1.9
165.09109	5.4
166.99754	2.0
169.01350	5.2
179.10706	15.7
182.97475	1.6
191.05515	1.2
212.97351	1.1
233.06642	0.9
264.51495	0.9
276.89081	1.2
293.08963	2.6
299.99167	1.6
300.99896	2.2
324.61508	1.1
335.32269	1.1
343.21243	4.4
363.22296	1.0
364.22470	1.3
403.21289	2.4
443.03809	1.2
461.20352	7.6
462.29813	1.6
477.32211	7.1
505.31531	2.3
522.32343	2.4
523.32721	25.4
524.32886	1.7
581.45892	1.2
625.28687	17.8
626.28955	4.2
641.25018	1.3
685.38062	100.0
686.38574	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	685.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.7
58.00463	1.4
59.01254	37.4
61.98684	2.7
69.03319	5.4
71.01254	36.0
71.56855	2.0
72.99173	5.2
73.02803	8.4
75.00741	1.9
78.95766	2.9
83.01287	2.0
85.02842	8.0
85.94131	1.2
87.00748	7.2
89.02323	43.4
89.02882	2.2
95.01267	3.2
96.95909	6.6
97.02826	6.9
99.00761	17.3
99.04408	1.7
101.02319	17.1
107.01268	2.9
111.00761	2.1
113.02338	7.6
115.03887	2.1
116.92719	2.4
119.03367	2.6
121.02827	2.8
123.00771	9.3
125.02342	21.6
131.03400	6.3
136.98627	1.7
137.09602	4.8
149.04475	15.1
149.09576	1.3
150.06732	2.9
151.00287	3.1
151.07600	2.5
153.09093	3.3
161.04491	1.5
165.01926	1.9
165.09138	22.5
167.10693	4.9
169.01335	14.5
177.01776	1.4
191.05551	6.3
233.06554	2.7
255.23094	2.0
273.00342	1.9
287.20187	3.2
293.08862	8.5
300.99802	4.4
331.19031	6.0
403.21115	3.9
461.20233	11.8
487.29160	1.7
493.24478	3.8
533.33081	2.5
625.28644	100.0
626.29102	16.0
657.48145	1.4
685.34332	35.6
686.34839	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	685.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91269	0.4
57.03313	0.5
59.01245	4.2
65.99960	0.4
71.01250	12.4
72.99162	0.5
73.02819	4.2
75.00739	6.7
78.27280	0.4
83.01267	1.6
83.01730	0.4
84.30659	0.4
85.02816	5.8
87.00752	1.4
89.02313	1.4
93.03346	1.0
95.01283	1.3
97.02821	0.7
99.00750	2.4
99.04391	2.0
101.02317	8.9
111.00782	1.2
113.02322	3.4
116.20796	0.4
116.27000	0.4
119.03384	1.2
121.02836	4.7
122.03668	2.2
123.00769	0.7
123.04435	0.7
125.02319	1.3
127.03886	3.0
129.01840	2.9
129.25993	0.4
132.02019	0.5
133.02829	0.5
135.04430	0.5
137.02480	0.6
141.01823	0.5
143.03384	1.0
145.04997	1.2
147.04410	0.7
149.02339	64.9
150.03137	18.7
151.03624	1.0
159.02885	1.1
161.02432	0.5
161.04469	5.0
163.03943	0.5
164.04689	16.6
165.05478	21.1
166.06293	2.6
167.07033	4.0
169.01289	1.2
180.04193	1.1
181.08635	1.3
182.97488	0.8
195.06551	11.8
203.05565	1.4
219.05162	0.6
235.08157	2.8
245.06631	3.5
263.07703	12.0
270.08884	0.6
270.98932	0.5
275.02225	0.5
283.09744	2.7
285.11301	1.5
289.09222	1.7
300.99716	0.9
307.07590	0.4
307.10315	24.0
308.10663	1.4
314.11572	28.0
315.11871	2.4
329.13919	100.0
330.14218	9.3
371.80145	0.6
377.16022	25.1
378.16516	2.8
379.78778	0.4
433.39771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50648	0.7
56.11311	0.6
57.03318	4.7
59.01249	4.9
61.36074	0.7
61.98704	0.7
69.03325	1.2
70.13644	1.5
70.14029	1.2
71.01247	4.0
73.02825	1.7
79.25652	0.5
80.34491	0.6
83.04904	1.1
85.02832	0.7
85.51462	0.5
87.00757	2.6
87.35703	0.7
89.02325	1.7
95.01230	0.7
95.04907	1.5
97.06461	16.0
98.19842	0.6
101.02306	3.7
113.02353	3.0
118.17181	0.6
123.08047	8.0
125.09612	92.3
126.09953	3.4
131.08311	0.6
142.61124	0.6
145.04950	1.4
161.04474	1.8
169.08617	1.9
187.09677	39.4
188.10054	1.5
235.08224	3.8
253.09259	3.6
277.21707	45.7
278.22040	3.6
290.14169	0.6
358.67368	0.6
405.17636	7.2
423.18732	6.0
521.34833	1.0
540.96344	0.8
616.80194	0.6
683.40100	100.0
684.40466	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.4
59.01245	6.2
61.98655	0.5
69.03325	0.9
71.01250	4.5
71.20392	1.2
73.02797	0.8
76.33599	0.5
76.48669	0.6
78.90099	0.5
83.04903	1.1
85.02826	1.0
87.00770	0.8
89.02325	4.6
95.04906	1.8
97.06464	13.1
101.02326	3.3
112.21130	0.5
113.02326	2.0
119.03387	1.1
122.89885	0.6
123.08041	6.9
125.09611	100.0
126.09927	3.4
143.10683	1.8
145.29807	0.5
161.04446	1.2
169.08589	1.6
187.09677	71.0
188.10060	2.9
211.09644	0.9
214.75897	0.5
233.22520	0.6
253.09203	1.8
261.13379	1.3
277.21695	14.3
278.22083	1.4
297.67230	0.6
405.17636	6.5
423.18723	17.1
424.18930	1.5
521.34949	0.9
569.61731	0.6
683.40063	88.2
684.40424	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	683.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.7
57.03299	2.9
58.00454	2.8
59.01249	38.3
64.96794	0.7
69.74812	4.5
71.01253	37.4
71.04865	1.5
72.99177	3.2
73.02820	7.5
75.00766	0.8
83.01244	6.2
85.02818	14.7
86.25136	0.7
87.00749	2.0
89.02312	18.7
95.01268	3.8
96.95884	8.8
97.02831	0.8
98.20479	1.1
99.00735	3.5
101.02321	28.4
102.02647	0.8
107.01270	0.8
111.00734	3.4
113.02339	11.9
119.03381	7.5
121.10122	1.2
122.57291	0.8
123.00749	3.5
125.02317	6.2
129.01848	0.8
131.03357	1.5
134.25766	0.8
139.00235	1.0
143.03384	0.9
157.12273	1.7
159.02858	2.0
161.04442	3.9
166.15186	0.8
166.99716	1.2
169.01323	5.8
171.13805	1.9
179.05476	2.7
183.13741	1.3
199.13338	2.1
201.14935	1.5
208.97346	0.9
229.01329	1.2
242.99350	1.1
245.00894	1.3
270.98743	1.0
275.01947	1.2
298.98389	1.0
300.99893	4.9
319.17676	1.3
355.26239	0.9
359.27963	2.7
389.21796	5.3
485.09454	0.9
503.32004	1.9
521.25897	3.0
521.33124	18.9
521.40558	1.5
522.33600	2.2
532.60040	0.9
555.04242	0.7
617.26544	0.9
660.04480	0.9
665.38470	0.8
683.38507	100.0
684.38782	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.2
59.01249	47.4
69.03335	1.5
70.06823	5.3
71.01250	16.0
73.02818	2.8
74.14371	0.9
77.25771	1.0
83.01232	1.1
83.04932	1.0
85.02823	3.9
87.00751	4.5
89.02321	6.4
90.89114	1.1
95.04897	1.2
98.19761	1.2
98.97697	1.0
99.05843	0.9
101.02316	8.8
109.06485	1.6
111.08002	1.6
113.02348	6.2
119.03366	1.6
125.02340	1.0
137.09598	1.8
145.04987	2.8
161.04445	4.5
171.10182	29.5
172.10457	1.3
179.05568	1.4
179.14340	1.2
194.09732	1.1
195.13760	1.2
203.14305	1.4
235.08217	9.1
237.14893	1.4
239.16528	2.1
241.18127	1.2
247.13536	1.5
253.09222	3.3
275.16687	1.6
275.19986	1.9
293.21176	11.5
294.21603	1.4
315.26978	1.6
325.25339	5.0
341.24863	3.5
343.26404	4.5
351.16800	1.6
351.23184	2.7
359.25809	6.9
369.24191	11.3
387.20383	2.0
387.25378	39.5
388.25806	4.5
405.26389	21.8
406.26862	2.7
479.29877	1.5
595.35028	1.9
623.34338	100.0
624.34644	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	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
59.01247	52.7
59.27982	0.8
69.03304	1.6
70.33397	2.6
71.01250	12.9
73.02818	3.8
83.04881	1.4
85.02820	4.2
87.00744	5.2
89.02307	5.7
92.84489	0.9
98.20533	1.1
101.02322	9.8
105.79160	0.9
109.06492	2.5
111.08060	2.1
113.02337	6.8
115.03856	1.0
119.03438	1.2
125.02308	2.0
135.08052	1.7
137.09610	1.2
145.04961	3.5
161.04445	3.2
171.10167	8.5
179.05627	1.1
187.06001	1.3
203.14279	1.4
235.08185	9.1
237.14868	1.0
237.18358	1.0
239.16457	2.7
253.09273	1.7
259.20795	1.1
265.17972	2.0
275.16449	3.3
277.17938	0.9
293.21155	5.6
315.26831	2.2
325.25275	5.4
326.25729	1.0
341.24857	2.9
343.26300	6.9
351.23367	2.5
359.25943	6.9
361.27588	2.0
369.24338	9.1
370.24741	1.9
377.27020	1.5
387.25412	38.9
388.25900	4.7
405.26398	28.9
406.26642	2.3
479.30307	1.7
595.35181	2.2
605.33344	1.8
623.34320	100.0
624.34772	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	683.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
59.01249	3.5
61.98682	0.8
67.01746	1.8
69.03310	0.9
71.01249	4.5
72.17204	0.4
72.99152	0.7
73.02817	1.1
79.01734	0.5
83.01249	1.0
85.02803	1.6
87.00714	0.9
89.02287	1.9
95.01261	2.3
96.95873	1.6
97.02824	1.0
98.19746	1.0
99.00718	0.8
99.33567	0.5
101.02307	2.9
106.66164	0.5
107.01265	6.1
109.99870	0.5
111.00772	2.9
113.02316	1.2
119.03345	0.7
121.02818	0.5
122.36490	0.4
122.99905	0.8
123.00770	15.2
125.02332	21.2
126.02642	0.7
127.00256	0.7
136.98683	1.7
137.02304	0.6
139.00272	4.7
140.01053	3.6
141.01772	2.0
151.00270	8.1
152.99440	0.7
153.01830	1.1
163.03902	1.0
166.99759	1.0
168.00562	5.2
169.01334	23.2
170.01631	0.7
181.04848	0.7
193.05077	0.5
209.36522	0.5
211.02383	8.2
212.02782	0.6
271.04572	5.6
300.99930	1.2
313.05548	1.2
329.05017	0.6
482.30270	0.5
531.31641	4.7
532.32794	0.6
683.32745	100.0
684.33197	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	683.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19721	0.5
59.01244	3.4
61.98709	0.8
65.00180	0.6
66.81586	0.5
67.01753	1.2
69.03321	0.7
70.77193	1.4
70.77563	0.5
71.01255	3.1
72.99190	1.0
73.02794	0.4
79.01765	0.7
79.95594	0.8
80.96367	0.4
81.03328	0.5
83.01241	0.8
85.02829	1.5
85.41929	0.5
89.02299	2.1
95.01257	2.2
96.95896	1.8
97.02795	0.9
101.02325	2.6
107.01274	4.6
109.02853	0.5
111.00759	2.6
113.02325	1.0
119.03368	1.1
122.79755	0.4
123.00761	14.4
124.01543	1.0
125.02332	21.6
127.00222	0.9
135.04375	0.6
135.91713	0.5
136.98688	1.4
137.02336	0.7
139.00281	4.3
140.01053	3.6
141.01833	2.0
149.65529	0.5
150.99132	0.7
151.00281	7.4
153.01805	1.9
163.03787	0.5
165.01787	0.5
166.99779	0.7
167.03384	0.6
168.00536	5.5
169.01331	26.5
170.01723	0.9
181.01251	0.6
211.02414	7.9
252.58539	0.5
271.04630	5.1
300.99722	1.4
313.05658	0.7
351.25296	0.6
369.26575	0.9
422.38419	0.6
531.31525	4.1
623.39484	0.6
683.32764	100.0
684.33124	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	683.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34830	0.5
52.05950	0.4
54.32695	0.5
55.01770	0.6
56.30666	0.5
56.50222	0.5
57.03316	0.6
59.01256	3.9
61.05157	0.5
61.98738	0.5
64.38746	0.5
67.01767	1.4
67.83354	0.5
69.03356	1.0
71.01248	4.3
71.56931	0.7
72.99182	1.3
73.02830	0.9
79.01763	1.3
79.72880	0.5
79.95605	1.3
80.96402	0.7
83.01274	1.0
85.02816	1.5
87.00754	1.1
89.02334	1.1
95.01246	2.6
96.95889	1.9
97.02853	1.2
101.02322	1.7
106.49541	0.6
107.01277	4.8
109.02857	0.6
111.00740	3.1
113.02319	1.8
123.00765	19.4
124.01534	1.0
125.02338	19.3
126.02705	0.8
127.00235	1.2
135.04373	0.6
136.98701	2.1
139.00262	6.5
140.01086	5.3
141.01842	2.4
151.00278	9.1
151.03944	0.5
166.99805	1.5
168.00562	5.6
169.01340	22.0
170.01659	1.0
180.23274	0.5
220.66592	0.6
298.98306	0.7
299.99466	0.8
300.99911	1.8
369.26318	1.7
531.31677	5.0
540.40430	0.5
683.32800	100.0
684.33093	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	683.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79898	0.9
51.38998	0.7
57.03293	0.8
58.00469	2.7
58.42563	0.7
59.01250	42.4
71.01250	35.3
71.11394	1.9
72.82401	0.8
72.99176	2.2
73.02827	1.0
83.01247	1.2
84.07744	0.7
85.02821	5.3
87.00743	1.9
89.02314	41.2
95.01256	1.3
101.02325	17.5
113.02321	14.2
119.03388	14.3
123.68705	0.8
131.03391	1.6
140.67314	0.7
143.03409	2.7
149.04430	1.2
161.04454	3.6
161.23375	0.8
179.05534	16.9
199.10191	1.0
243.91176	0.8
341.10968	100.0
342.11450	5.9
513.46948	0.8
528.16681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97736	0.9
59.01258	6.4
61.98685	1.4
65.00181	1.6
66.74205	0.9
67.01750	2.4
68.99664	1.9
71.01234	4.3
71.57025	1.8
72.99191	1.7
73.02802	1.0
79.84126	0.9
79.95596	1.7
83.01229	2.3
87.00742	1.7
89.02287	2.0
95.01247	1.8
96.95845	2.8
99.00710	1.6
101.02358	1.0
102.10885	0.9
107.01219	2.3
109.99929	2.8
111.00069	1.3
111.00762	16.2
122.93417	0.8
123.00762	4.9
124.01534	5.9
124.91188	0.9
125.02370	7.2
127.00247	6.3
136.98695	10.5
139.00276	16.1
140.00063	1.3
140.01062	24.4
141.01674	1.0
151.00192	1.3
154.99762	2.2
166.87909	0.9
166.99689	1.2
167.99170	1.8
168.00549	25.9
169.01315	9.7
300.99860	1.3
345.20697	1.3
373.19986	1.5
505.84940	1.0
551.25238	1.1
594.21881	1.2
639.29242	1.5
683.29083	100.0
684.29358	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	681.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	10.3
62.39258	1.9
93.03330	7.3
99.62999	2.1
99.98249	1.9
128.54176	1.8
137.48930	1.7
152.96353	1.8
165.12782	12.4
186.85483	1.7
229.21400	2.0
247.20607	9.3
248.44815	2.0
263.02380	2.9
273.18600	3.4
278.04477	2.0
291.19638	14.1
320.09451	10.2
321.09949	3.1
352.08395	8.6
355.12192	5.6
389.16504	20.3
390.16660	2.3
483.20261	3.2
505.57358	2.0
584.26672	3.0
621.34631	33.9
622.34747	5.7
681.36853	100.0
682.37128	19.4
692.61975	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	681.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
67.25840	0.2
71.01244	0.7
71.56627	0.2
72.99139	0.3
73.02802	0.2
79.95607	2.8
89.02314	0.4
94.55956	0.2
96.95889	100.0
97.95812	0.4
101.02337	0.4
107.01286	0.2
110.02441	0.2
113.02303	0.2
119.03370	0.2
123.00793	0.4
125.02319	0.8
135.03854	0.2
139.00261	0.3
140.06598	0.2
166.99759	0.3
169.01306	1.3
181.03302	0.2
182.97453	0.3
185.02274	0.2
223.30231	0.2
229.04988	0.4
230.05377	0.2
231.86389	0.2
257.04401	0.2
285.04028	3.3
286.04501	0.2
298.98352	0.3
299.98608	0.2
300.99799	0.5
356.38870	0.2
357.27136	0.2
517.00903	1.4
518.01556	0.2
519.31915	1.0
583.10980	0.4
621.05530	1.1
621.34479	0.2
681.07764	0.4
681.36896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01884	0.2
54.33874	0.2
57.02243	0.2
58.02831	0.4
59.01228	0.2
60.34520	0.2
63.43285	0.2
71.01235	0.2
71.55894	0.3
71.92956	0.2
81.03326	8.5
83.04896	22.5
84.05218	0.6
95.01219	0.2
96.95886	0.2
100.07540	0.4
101.16502	0.2
107.06007	0.5
108.04407	0.5
123.00730	0.2
125.02289	0.5
125.07104	1.4
126.05509	0.7
143.08156	0.4
169.01338	0.6
171.10187	0.3
199.18077	0.3
207.14948	1.6
215.47417	0.2
215.49487	0.2
224.17635	3.0
225.16035	13.0
226.16348	0.7
226.78261	0.2
242.18747	1.1
290.22293	0.2
309.21756	0.7
324.26535	0.7
333.22903	0.8
339.27692	0.3
341.29309	1.0
367.26935	0.9
385.28134	0.7
407.33914	0.2
433.31625	1.3
450.34531	1.6
451.32901	6.5
452.33163	0.7
468.35336	0.3
481.54718	0.2
550.43323	0.8
559.39600	0.7
565.44080	0.4
593.44067	0.7
594.44147	0.2
659.48792	1.3
660.48560	0.3
677.49646	100.0
678.49951	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	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03315	1.5
58.00459	2.3
59.01250	34.9
69.03328	1.9
71.01254	32.7
71.01534	0.4
71.01661	1.1
71.11782	1.3
72.20807	0.6
72.99167	3.0
73.02811	4.7
75.00731	1.0
78.95761	0.6
81.03321	1.5
83.01287	3.3
85.02828	7.6
87.00742	8.8
89.02314	27.1
91.03878	1.2
95.01241	2.0
97.02814	5.9
99.00775	2.4
99.04385	1.0
101.02320	26.7
101.03000	1.3
103.03946	0.7
109.54241	0.6
111.04351	1.3
113.02321	13.4
115.03877	1.0
119.03391	9.1
121.02853	0.9
124.01566	0.7
125.02337	11.2
129.13406	0.7
131.03339	1.2
132.94357	0.6
133.04929	0.9
139.03905	0.9
140.29854	0.6
143.03429	5.0
161.04459	5.4
167.03380	1.0
169.01309	0.8
174.96832	0.7
179.05493	5.8
185.04443	1.2
199.06123	1.0
217.07141	1.4
217.37546	0.7
221.06543	1.7
225.29056	0.6
235.08185	12.2
240.98175	0.8
245.06590	0.7
253.09236	3.6
261.22235	0.7
263.07721	0.6
265.51825	0.6
276.83026	0.7
279.23273	100.0
280.23605	6.8
287.07773	3.2
293.21545	0.8
293.24850	0.7
305.08734	3.0
323.09903	1.9
358.36566	0.8
379.12363	0.7
385.54391	0.7
397.13464	71.0
398.13910	4.4
415.14532	31.1
416.14835	2.0
452.99573	0.6
469.01517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3598
Annotation	Hirsutatin A
Peak:m/z	Relative Intensity
59.01234	4.1
67.01752	1.1
69.68728	1.1
70.32394	3.8
71.01245	5.5
72.99194	1.2
78.95786	1.6
79.01744	1.4
79.95610	1.1
83.01255	2.1
85.02830	3.0
88.98686	1.4
89.02331	1.5
95.01257	2.8
96.95882	7.5
101.02328	3.8
107.01295	5.1
111.00746	3.0
112.93533	1.4
113.02351	1.8
119.03352	1.3
123.00777	18.7
125.02341	23.6
127.00250	1.4
136.98677	1.2
139.00252	5.9
140.01080	2.5
141.01801	2.0
151.00279	9.8
153.01845	1.5
161.04575	1.1
163.00233	1.3
163.03966	1.3
165.05545	1.4
166.99712	2.5
168.00589	5.4
168.99951	1.6
169.01341	26.5
181.05069	1.3
185.11827	1.3
190.02638	1.2
242.99545	1.2
273.00418	2.0
275.01883	1.3
285.03958	1.4
298.98303	1.7
299.98749	1.7
300.99741	4.9
447.25854	2.6
468.01718	1.0
481.11417	2.0
495.15625	1.9
631.37427	1.2
639.33044	1.2
675.35968	100.0
676.36414	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.7
56.16651	0.2
57.03327	1.5
57.35683	0.2
57.35963	0.2
58.00467	2.2
59.01249	50.6
60.01592	0.6
64.14651	0.2
64.69077	0.2
67.01776	0.3
68.99667	0.5
69.03322	2.6
71.01251	41.6
71.56226	0.3
72.01593	0.6
72.99176	3.1
73.02818	6.0
73.22540	0.2
75.00730	1.0
81.03331	1.9
83.01257	4.8
83.04906	0.5
85.02821	9.4
85.99977	0.4
87.00746	10.2
87.04411	0.5
89.02315	36.4
90.02650	0.6
91.03888	0.8
93.03341	0.6
95.01255	3.1
95.04888	0.4
97.02826	7.8
98.03206	0.2
99.00744	2.7
99.04380	0.6
101.02321	35.6
102.02665	0.4
103.00227	0.3
103.03875	0.5
105.85965	0.2
109.02816	0.9
111.00764	0.9
111.04408	1.2
113.02326	16.0
115.03875	0.9
119.03384	11.3
120.03738	0.2
121.02863	0.7
123.00777	0.3
123.04384	0.4
124.01562	0.5
125.02331	14.7
126.02702	0.3
127.03902	0.7
127.07533	0.4
131.03392	2.1
133.00093	0.2
133.04961	1.2
137.02373	0.3
139.03902	1.2
140.60165	0.2
141.01846	0.6
142.70706	0.2
143.03401	6.7
143.04543	0.3
149.02357	0.2
149.04413	1.2
151.03951	0.2
157.05013	0.3
161.04459	7.3
161.05830	0.4
167.03389	0.8
169.04971	0.7
171.02881	0.3
179.05519	7.1
181.04980	0.3
185.04477	0.8
199.06029	0.8
203.05547	0.4
217.07086	1.4
219.04982	0.4
221.06604	3.1
227.05479	0.2
233.22566	0.3
235.08179	16.8
236.08546	0.6
245.06607	0.8
253.09224	3.9
259.08347	0.4
259.20703	0.5
263.07654	1.7
275.20047	0.3
277.09653	1.1
277.21704	100.0
278.22049	7.9
287.07721	3.8
288.07944	0.2
291.23163	0.3
305.08780	3.9
323.09802	2.2
361.11246	0.7
379.12646	1.3
397.13474	78.8
398.13831	6.3
398.17856	0.1
415.14548	33.7
416.14899	2.4
675.29095	1.0
687.03992	0.2
689.80084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77402	0.4
55.01753	1.5
57.03320	1.6
57.21665	0.5
58.00465	2.9
59.01251	58.2
59.23836	0.4
59.38688	0.4
60.01604	0.6
66.17998	0.3
68.99694	0.7
69.03326	2.7
71.01251	43.7
71.48430	0.7
72.01598	0.4
72.99188	3.0
73.02817	6.8
75.00755	0.7
78.41011	0.4
81.03336	1.2
83.01264	4.3
85.02819	9.5
87.00750	10.4
87.01257	0.6
87.04410	0.4
89.02315	37.2
89.13846	0.6
90.02675	0.7
91.03880	0.9
93.03347	0.4
95.01272	3.1
95.04907	0.4
97.02821	7.0
99.00745	2.6
101.02319	31.7
102.02704	0.6
103.00299	0.4
103.03921	0.6
109.02840	0.9
111.00739	0.8
111.04394	0.8
111.12806	0.4
113.02328	16.1
115.03954	0.7
119.03388	12.4
121.02822	0.7
124.01546	0.7
125.02335	14.1
126.02749	0.5
127.03840	0.6
129.01851	0.5
131.03391	2.0
133.04968	1.1
137.02376	0.4
139.03923	1.0
141.01848	0.5
143.03386	6.7
149.04430	1.4
161.04465	7.1
162.04720	0.5
167.03453	0.8
169.04858	0.4
179.05545	7.6
185.04463	0.8
199.06009	0.5
203.05547	0.6
217.07123	1.1
221.06656	3.1
235.08188	16.3
236.08479	0.6
245.06682	1.0
253.09216	4.6
259.20831	0.4
263.07715	1.6
277.09348	1.4
277.21707	100.0
278.22043	8.2
287.07697	3.6
305.08774	4.2
323.09674	2.2
361.11447	0.7
379.12457	1.5
397.13489	83.5
398.13867	6.3
415.14545	34.8
416.14868	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	675.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	0.6
67.01756	2.0
69.03311	1.5
69.60326	4.2
71.01255	1.4
72.99142	0.9
79.01763	2.2
85.34042	0.7
95.01259	8.6
96.95888	0.9
97.02850	1.5
98.19876	0.9
107.01263	1.7
108.02047	1.7
109.02853	1.5
109.99992	0.7
111.00762	3.8
121.02819	1.6
122.03640	1.7
123.00770	38.0
123.04362	3.0
124.01549	2.4
125.02350	19.7
126.02680	1.0
127.00237	1.5
133.02847	0.9
135.04356	1.4
136.01564	2.0
136.98688	2.6
137.02351	1.8
139.00261	11.1
139.03874	2.0
140.01064	4.8
141.01840	5.3
145.02875	0.8
149.02367	3.0
149.06013	0.6
150.03140	11.0
151.00244	2.4
151.03943	5.7
153.01817	2.3
161.02258	0.9
164.04605	1.6
165.05495	10.2
166.99780	16.0
168.00551	10.5
169.01346	30.4
170.01703	0.7
179.07022	1.3
180.04213	0.8
181.01343	1.2
181.04935	0.8
182.02046	1.4
183.02940	8.6
194.99252	2.0
195.02979	0.8
195.06482	0.8
195.83549	0.7
197.04576	0.9
211.02322	1.0
228.46613	0.6
234.40514	0.7
241.04950	0.8
242.05733	0.9
244.16719	0.7
281.26709	0.7
283.41504	0.7
286.08258	0.7
289.07239	1.8
300.99869	1.9
302.07910	1.3
303.08533	1.9
314.07858	2.4
317.06610	8.3
318.04056	0.6
318.07394	12.9
319.07858	1.1
331.08292	6.6
332.09006	55.9
333.09744	25.7
334.09995	1.7
343.08707	0.7
345.09930	3.1
347.11273	9.2
348.11716	0.9
359.11127	0.9
387.10907	6.0
481.15063	6.6
493.14969	2.9
511.16086	10.4
512.16180	1.6
513.34418	0.8
523.20819	1.0
529.17120	36.8
530.17651	4.9
675.22876	100.0
676.23206	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	675.2296
Annotation	Icariin
Peak:m/z	Relative Intensity
59.01250	0.9
59.51998	0.4
65.00210	0.8
67.01760	2.3
69.03324	1.3
71.01257	1.0
71.05096	0.7
71.05408	0.5
72.99178	1.4
77.82558	0.4
79.01765	2.2
81.03314	0.7
93.03345	0.7
95.01261	9.3
96.95879	1.1
97.02823	1.3
101.85399	0.4
107.01269	2.9
108.02039	1.9
109.02834	1.6
111.00759	4.1
121.02834	1.0
122.03642	1.5
123.00765	38.6
123.04391	3.2
124.01671	2.6
125.02335	24.4
126.02692	0.7
127.00278	1.5
133.02846	0.7
134.03627	0.7
135.04440	1.4
136.01543	1.2
136.98700	1.9
137.02351	2.8
138.03000	0.7
139.00273	11.8
139.03883	2.2
140.01059	4.9
141.01848	4.2
145.02811	0.9
146.03685	0.8
147.04506	0.7
149.02335	3.2
149.05966	0.9
150.03119	8.6
151.00272	2.8
151.03915	4.3
153.01863	2.0
153.05473	0.4
154.99765	0.5
162.03168	0.7
163.03902	0.9
164.04671	0.9
165.01788	0.7
165.05486	7.1
166.06145	0.6
166.99776	16.6
167.01198	0.8
167.03378	0.9
168.00542	10.8
169.01334	34.1
170.01723	0.9
178.99771	0.4
179.07068	0.8
180.04102	0.5
181.01346	1.3
182.02094	1.3
183.02904	8.4
194.99292	1.9
195.02957	1.5
195.06578	0.7
197.04512	1.4
204.64323	0.4
222.05215	0.6
241.05028	0.6
273.00430	0.4
286.04965	0.5
289.07190	2.4
300.99829	1.0
302.04489	0.4
302.07755	1.9
303.08707	1.5
314.08087	3.2
314.11328	0.9
315.08682	0.9
317.06638	9.4
318.04132	0.6
318.07407	13.6
319.04437	0.5
319.07779	2.2
329.13965	1.0
330.07373	0.8
331.08246	7.8
332.08981	57.1
333.09674	26.1
334.10086	1.6
343.08127	0.8
344.08914	1.0
345.09686	3.1
346.10257	0.7
347.07184	0.8
347.11298	10.7
348.11838	1.2
359.11215	0.6
372.08533	0.9
386.09512	0.5
387.10898	9.8
388.11005	1.0
401.12277	0.7
405.12125	1.1
481.14987	6.4
482.15372	1.1
493.15048	2.9
511.16013	7.8
512.16418	1.0
529.17145	65.0
530.17389	7.2
639.36218	0.8
675.22876	100.0
676.23267	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	675.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
65.00201	0.9
67.01762	0.9
68.13206	0.3
68.99680	0.4
69.03320	1.4
69.48178	0.4
69.48582	2.2
71.01254	0.6
72.99200	0.5
79.01761	0.7
81.03300	0.7
83.01266	0.8
85.14615	0.3
87.00755	0.3
95.01270	1.5
95.04877	0.3
97.02827	1.3
98.19775	0.6
107.01273	6.5
109.02835	0.9
109.99988	0.6
111.00761	3.7
119.88325	0.3
121.02839	7.5
122.03622	0.5
123.00765	8.9
123.04386	1.0
124.01573	3.6
125.02333	72.4
126.02634	1.8
127.00270	1.5
135.04454	0.8
136.01552	1.0
136.98695	2.1
137.02351	2.7
138.02760	0.4
139.00266	5.1
139.03900	2.4
140.01070	6.2
141.01817	1.1
145.02826	0.4
149.02332	1.7
150.03093	1.9
151.00272	8.0
151.03896	3.4
152.00645	0.6
153.01854	0.9
155.40279	0.3
162.03191	1.7
163.03865	1.0
164.04692	0.7
165.01747	0.5
165.05484	2.3
166.06259	24.1
166.99707	0.6
167.03430	1.0
167.06638	0.9
168.00555	11.6
169.01331	100.0
170.01663	3.2
177.01842	0.6
177.05513	1.5
178.99777	1.3
179.03412	0.6
180.04179	0.4
181.01349	1.9
181.05008	0.4
181.08609	7.4
182.08969	0.4
183.02904	8.5
195.02919	1.7
195.06537	0.9
225.41888	0.3
244.03751	0.4
259.05988	0.6
271.06082	0.5
289.07092	0.4
295.69406	0.4
310.86130	0.4
315.07355	0.7
317.02957	2.7
317.06671	2.0
318.03436	2.2
319.03571	2.4
347.07700	6.6
493.13498	13.2
494.13998	1.5
529.17194	19.0
530.17493	2.0
675.22882	66.2
676.23230	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63432	0.7
55.01750	2.4
57.03315	2.2
59.01252	16.4
61.06116	0.7
61.98698	1.5
71.01255	17.1
71.04886	1.0
72.99184	1.5
73.02819	3.5
79.95613	0.9
80.02508	0.9
80.96383	0.7
83.01249	3.0
83.04893	5.5
84.02036	0.8
85.02821	7.4
87.00744	2.0
89.02303	5.1
95.01262	1.5
95.04862	1.1
96.95897	3.9
97.02786	0.9
97.06443	0.9
99.00756	1.3
99.04389	2.2
101.02316	9.7
109.06470	3.8
111.00738	1.4
111.04389	2.1
111.08010	0.7
112.93620	1.1
113.02334	6.0
113.05967	0.8
119.03346	1.2
121.02836	2.1
122.03627	1.2
123.00772	1.0
123.04415	2.4
123.08047	1.3
125.02322	3.2
127.07497	1.6
133.06432	0.7
135.04428	1.6
136.00174	0.8
136.05196	4.3
137.05984	41.6
138.06265	0.8
138.95212	1.5
139.03673	0.8
140.04703	1.1
141.01639	1.1
143.03395	0.9
149.06003	0.9
149.09648	1.7
150.06767	2.8
151.07570	14.7
155.07088	5.4
161.02397	1.1
161.04478	3.5
163.11183	3.4
165.09135	8.9
165.12737	2.4
169.01341	2.9
169.12250	0.8
171.10143	3.3
171.13901	1.0
178.06255	0.8
179.05417	0.7
183.13858	1.1
185.11792	1.8
193.08653	15.7
199.13361	6.8
207.10243	1.1
209.11774	100.0
210.12131	6.5
211.09744	1.1
211.13356	5.9
225.11200	2.4
227.12856	23.8
228.13104	1.9
229.14482	0.8
235.08185	1.6
253.09244	8.4
300.99933	1.6
332.60757	0.7
355.28641	1.5
401.23016	1.1
408.40088	0.8
419.24454	0.9
433.08887	0.8
433.33215	7.1
445.20969	1.0
451.34152	1.6
461.31235	2.8
463.21698	1.5
475.34402	1.7
517.33826	23.9
518.34180	3.4
535.34882	42.3
536.35120	5.6
578.47308	0.8
579.30969	0.9
613.39630	31.8
614.39648	6.7
637.32227	1.2
655.31665	1.6
655.40955	19.8
656.41455	3.6
673.32007	1.2
673.41022	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72377	2.7
55.01758	4.1
57.03313	5.5
58.00478	3.9
59.01247	31.8
61.98698	4.3
69.03335	3.5
70.70991	5.2
70.71362	5.3
71.01247	35.6
72.99181	4.7
73.02818	11.5
74.02347	4.9
79.95617	5.0
80.96390	7.2
81.03339	4.5
83.01255	10.2
83.04887	5.4
85.02822	15.7
87.00762	5.2
89.02332	8.2
95.01257	6.3
95.04889	5.3
96.95887	14.3
99.00761	9.2
99.04395	4.7
101.02329	27.5
109.06445	6.1
111.00746	8.6
111.04396	5.5
113.02348	12.6
113.05901	2.7
121.02825	3.0
122.03624	5.5
123.00779	3.1
123.04414	10.0
123.08079	3.2
123.97620	2.6
125.02344	7.3
127.07539	6.1
135.04495	3.5
136.05185	11.3
137.05988	84.9
138.06325	3.0
138.95251	3.8
139.07632	2.5
141.12756	4.2
150.06731	5.5
151.07561	44.3
154.42662	2.5
155.07043	9.7
161.04431	7.3
163.11232	4.5
165.09134	23.8
165.12766	3.5
169.01329	8.4
169.12270	4.3
171.10159	12.1
171.13737	2.8
175.07582	3.0
183.13812	5.6
185.11789	7.0
193.08647	36.7
197.11760	3.4
199.13385	20.4
201.11060	2.5
207.10112	10.3
209.11784	100.0
209.13777	5.5
210.12090	7.8
211.09850	2.8
211.13324	19.9
225.11267	12.6
227.12836	44.0
235.08081	3.4
235.13255	2.8
236.64038	2.9
249.73540	3.0
253.09276	8.3
260.10355	9.1
278.11389	22.7
300.99881	6.8
307.19040	10.1
325.20148	10.5
329.17383	22.5
339.09769	3.9
347.18173	9.1
348.18716	3.5
451.34088	6.5
461.31116	11.1
496.05386	2.8
517.33746	49.4
518.34180	8.0
535.34827	93.7
536.34955	13.4
613.39563	87.2
614.39697	14.1
641.22998	4.7
655.40833	52.0
656.40955	8.7
673.38422	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3804
Annotation	MK 7924
Peak:m/z	Relative Intensity
57.03324	1.5
58.59424	0.6
59.01246	4.0
61.98676	0.6
66.40886	0.6
69.03316	0.9
69.03819	0.6
69.52871	0.6
71.01262	4.0
71.55495	0.6
71.57006	0.9
77.11407	0.6
78.95784	0.7
79.01763	0.7
82.57331	0.6
85.02828	2.0
87.00725	0.9
89.02330	2.5
92.56793	0.5
92.69063	0.6
95.01266	1.9
96.95888	13.1
97.02839	0.8
98.34988	0.6
101.02328	2.0
107.01302	1.9
111.00752	1.0
112.93609	0.8
113.02332	1.7
121.06458	0.9
122.03626	1.4
123.00776	7.5
123.08018	1.2
125.02352	11.8
135.04417	2.0
136.05199	36.7
137.05910	1.0
137.09610	0.7
139.00275	2.2
140.01111	1.2
141.01811	0.9
144.16423	0.7
147.08089	0.8
148.05179	0.9
149.05988	4.8
150.03171	0.6
150.06783	4.6
151.00316	4.3
153.01878	0.6
155.10732	0.6
162.06758	1.6
163.07571	1.5
164.08292	3.3
165.07727	1.4
165.09129	28.4
166.09390	0.8
166.99767	1.4
168.00562	2.0
169.01340	17.3
170.01709	1.3
179.05588	0.9
187.00069	0.6
207.10190	0.7
209.11705	4.9
211.02458	1.6
227.12862	1.2
238.70171	0.6
271.04803	1.7
273.00430	0.8
275.02151	0.6
283.09921	1.3
300.02524	1.2
300.99985	3.0
305.06799	1.9
307.18964	1.1
311.09232	4.2
315.05203	2.0
316.05524	1.4
317.05685	1.5
325.10873	1.0
326.11569	4.9
331.06802	2.6
341.13843	4.9
345.22928	6.2
447.31165	1.7
448.32193	0.9
450.29620	1.0
464.00174	0.8
465.32275	12.1
466.33051	1.1
492.30917	1.9
493.31772	4.3
510.31964	3.1
511.32605	28.2
512.32953	4.3
529.17212	1.4
673.21124	6.8
673.38013	100.0
674.21985	2.8
674.38452	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.00983	0.2
59.01251	2.3
69.03325	0.2
71.01252	2.1
71.05698	0.3
72.99178	0.2
73.02824	0.4
80.02554	1.0
81.03322	0.8
81.04655	0.2
83.01240	0.3
83.04392	0.3
83.04896	4.8
84.02044	0.7
85.02824	0.6
87.00740	0.5
89.02309	1.3
93.03333	0.3
93.20399	0.1
95.01245	0.3
95.04885	0.5
96.95892	0.3
97.02793	0.2
97.06447	0.2
99.00777	0.2
101.02326	2.0
109.06506	0.2
113.02326	0.9
119.03388	0.3
123.00764	0.2
125.02331	0.2
125.05978	0.5
125.09605	0.2
135.08041	0.6
141.01649	0.2
143.03329	0.2
145.05000	0.2
147.11661	0.2
149.09610	0.3
161.04454	0.9
163.11200	3.7
165.12740	2.1
166.13080	0.2
169.01350	0.2
171.10168	2.7
179.05531	0.2
181.12277	0.4
185.11716	0.2
191.10725	1.1
199.13326	0.6
207.10257	0.2
209.11769	100.0
210.12109	6.3
210.14163	0.2
211.13159	0.2
221.11757	0.4
227.12839	13.6
228.13123	0.9
235.08214	1.5
247.13396	1.5
248.13724	0.2
249.15063	0.2
253.09270	6.0
254.09711	0.3
265.14355	0.5
375.21704	0.3
401.23468	0.3
419.24423	0.3
445.20822	0.7
611.30890	0.2
637.32361	0.6
655.33331	0.4
673.34814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30494	1.6
59.01260	11.7
61.98698	2.2
63.01295	1.7
68.19145	1.4
69.03333	2.6
69.34971	16.0
70.41862	1.8
71.01254	47.3
73.02823	2.4
78.95784	5.5
79.95583	1.7
81.03378	2.3
81.59111	1.4
83.04901	4.4
85.02837	2.7
87.00776	2.3
89.02331	6.3
95.04910	2.3
96.95901	2.9
97.02843	5.5
99.00774	5.0
101.02325	8.2
109.06480	6.4
113.02350	4.9
121.06495	1.7
125.02324	1.7
125.09579	3.3
152.99559	2.6
161.04486	4.3
163.11183	7.4
165.12813	3.1
171.10204	5.8
181.12273	5.0
183.13841	13.1
185.11806	2.9
188.50493	1.5
191.10596	1.6
193.12334	4.0
197.11682	1.5
199.13348	30.3
201.11295	8.4
207.10185	22.1
209.11774	68.3
210.12085	4.9
211.13347	100.0
212.13632	5.3
225.11281	19.5
226.11618	2.1
227.12859	66.2
228.13066	4.3
235.08220	5.3
243.12395	3.6
253.09302	13.9
265.14581	2.3
298.08618	1.7
373.23834	1.9
383.22186	2.2
391.25049	1.6
401.23233	4.9
419.24338	4.1
447.21973	2.2
461.20065	3.9
463.21844	11.0
602.16125	5.6
619.77209	1.7
637.32837	3.6
655.33582	9.7
656.33325	3.8
673.34210	22.3
674.34802	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	673.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
61.98729	0.5
65.00198	0.8
67.01765	2.0
69.03329	1.1
70.96126	0.6
71.01240	1.5
72.99165	0.4
74.58559	0.3
79.01759	1.8
81.03345	0.8
83.01273	1.0
86.81156	0.3
87.00750	0.8
89.02319	0.6
95.01259	6.6
96.95883	0.4
97.02831	1.2
101.02325	0.6
107.01250	2.6
109.99985	0.6
111.00768	3.2
113.59346	0.3
117.02311	0.4
123.00768	28.3
124.01663	2.1
125.02334	15.6
127.00311	0.9
136.98735	2.1
137.02342	0.9
138.03159	0.4
139.00266	6.9
139.03922	1.2
140.01060	5.9
141.01839	3.2
149.02364	0.4
150.06799	1.0
151.00273	3.5
151.03816	0.5
153.01808	0.7
154.99788	0.5
165.01799	0.5
166.99779	11.5
167.01201	0.6
168.00529	4.4
169.01343	11.5
176.34723	0.3
179.10641	0.9
181.01399	0.5
183.02913	1.6
195.02930	1.2
202.33656	0.4
209.11748	0.4
236.79208	0.3
265.08746	0.4
268.07407	0.5
282.08701	0.6
283.09656	0.5
293.08304	1.0
294.08932	1.0
295.09805	1.2
301.00095	0.3
311.09238	2.1
312.09891	0.6
326.11496	3.5
327.12344	7.1
328.12640	0.4
341.13992	0.8
382.43378	0.4
393.82410	0.4
449.12384	0.7
450.13257	0.6
460.11676	1.2
461.12170	0.7
463.10352	3.9
477.12161	0.8
478.12665	20.9
479.13019	3.2
493.15033	100.0
494.15408	13.9
511.36124	1.5
527.15442	1.0
563.81824	0.4
641.21997	0.4
673.21375	24.4
673.32800	0.9
674.21893	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	673.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70247	0.2
56.54901	0.2
59.01244	0.8
59.69489	0.2
67.01767	0.3
69.03329	2.2
69.44563	0.9
69.44987	0.8
71.01248	0.8
73.02766	0.2
79.01784	0.3
81.03336	0.8
83.01230	0.3
85.02837	0.4
87.00722	0.2
94.83810	0.2
95.01270	0.5
97.02831	1.8
98.19769	0.4
101.02314	0.5
107.01268	13.1
108.01551	0.2
111.00768	0.4
113.02338	0.5
116.81770	0.2
123.00761	0.8
124.01551	1.0
125.02332	81.1
126.02669	2.4
128.54974	0.2
139.00269	0.3
139.03914	0.4
140.01036	0.4
151.00235	0.4
164.58089	0.2
168.00562	0.8
169.01331	100.0
170.01662	3.4
183.02943	1.5
209.11688	0.3
244.68983	0.2
280.07306	0.4
293.08231	0.3
295.09769	0.5
300.99713	0.3
309.11407	0.3
311.09280	0.3
326.11478	0.8
327.12314	0.7
341.13776	0.4
473.14774	0.3
489.17554	0.5
491.19785	0.3
503.18951	0.9
673.21326	37.2
674.09857	0.4
674.21698	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	673.2134
Annotation	Premithramycin A2'
Peak:m/z	Relative Intensity
51.33084	1.0
59.01237	2.9
65.00198	1.2
67.01760	3.3
68.99657	1.1
69.03326	1.8
69.82961	2.2
69.83364	2.0
71.01245	6.3
72.99169	2.4
73.02824	0.8
75.75683	0.7
79.01759	3.0
81.92978	0.7
82.55346	0.7
83.01250	1.9
85.02814	2.3
87.00742	1.7
89.02319	1.3
95.01263	5.6
96.95868	1.1
97.02837	2.2
101.02306	1.7
107.01268	18.0
109.02840	1.2
109.99992	1.3
111.00758	8.9
113.02300	1.4
121.02840	1.6
123.00768	33.3
124.01640	4.7
125.02339	54.5
126.02653	1.2
127.00230	3.1
135.04459	1.2
136.98694	4.8
137.02307	3.1
139.00264	13.0
139.03912	4.5
140.01067	12.0
141.01836	3.7
144.06110	0.8
149.02348	1.6
151.00270	12.6
152.00870	0.9
153.01846	1.3
154.99771	1.3
161.02345	1.2
163.03961	0.9
165.01805	1.1
166.02605	2.6
166.99759	6.5
167.03322	1.0
168.00562	14.4
169.01334	48.9
170.01649	1.7
178.99805	3.3
181.01360	1.2
182.02113	1.0
183.02927	10.9
203.08353	0.8
211.02463	1.2
227.08191	0.9
248.01933	0.8
271.02679	1.6
287.01917	1.6
295.09711	1.0
300.99872	1.5
313.05579	2.7
314.11627	1.6
315.01266	2.1
315.12338	2.4
316.02231	4.3
317.02820	5.2
326.11682	1.4
329.06668	1.0
329.13947	3.1
332.30923	0.8
341.13947	1.2
356.04144	1.3
357.04312	1.5
374.05084	1.0
384.47696	0.8
444.14041	0.8
445.14630	0.9
463.08572	1.1
464.09399	1.2
476.16574	2.9
477.17508	4.8
491.19119	3.5
492.19754	1.0
496.13660	1.0
503.19241	1.4
511.16110	4.7
521.09375	1.6
529.17200	0.9
537.15967	2.5
643.20288	58.6
644.20599	9.9
655.09985	0.8
655.20306	22.3
656.20703	3.2
673.21350	100.0
674.21680	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	672.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75484	2.3
63.32054	2.2
71.55299	4.5
77.33681	2.2
88.04249	2.4
89.75140	2.4
91.48307	2.1
109.02822	2.7
114.08610	2.2
115.48128	2.1
120.00821	2.9
123.00757	3.2
125.02303	5.4
134.09373	2.2
135.18546	2.1
137.02350	4.4
146.11745	2.3
148.00316	6.6
161.02351	2.7
163.00305	6.2
165.01785	4.3
169.01309	6.4
173.02316	5.4
175.03851	3.3
185.02382	2.9
187.03931	2.9
190.01250	4.0
201.01862	5.7
203.03430	5.1
208.02409	7.0
209.00797	3.7
213.39299	2.5
217.01408	5.7
229.01404	11.1
230.02051	2.7
243.02815	5.2
245.00876	9.6
247.02357	14.7
257.00800	7.7
258.01501	3.3
261.17386	2.3
270.03909	4.7
273.00430	14.0
274.01120	9.8
275.02054	14.3
287.01855	3.5
291.01520	4.9
296.01950	5.1
299.99014	9.7
300.99884	100.0
302.00284	6.2
312.99561	3.8
324.01437	4.9
340.00864	16.4
428.47391	2.7
453.06683	4.8
458.06979	2.8
463.05124	24.4
468.05392	2.5
502.05829	4.3
520.07501	5.3
605.07971	13.7
614.05310	5.5
627.05829	3.4
632.06567	37.8
633.06512	5.7
636.06012	4.3
654.07172	9.8
672.08514	52.1
673.08575	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	671.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80807	2.6
55.01751	6.7
57.03328	5.2
59.01248	35.8
61.98698	7.5
71.01253	35.5
71.57028	3.2
71.57395	2.8
72.99192	5.8
73.02802	13.0
78.95785	4.0
79.95628	2.4
83.01263	7.4
83.04887	3.2
85.02826	18.3
87.00775	4.6
89.02338	4.6
93.23276	2.3
95.01247	4.2
95.04893	4.1
96.95895	10.2
97.02888	3.4
99.00742	6.3
99.04371	3.4
101.02328	22.0
105.55772	2.9
109.06458	8.6
111.00787	3.5
111.04407	3.3
113.02329	10.3
119.03445	4.3
121.02802	3.8
121.06476	4.0
122.03625	4.6
123.00749	4.1
123.04414	5.7
123.08023	2.9
125.02340	10.3
127.07513	4.7
135.04410	3.7
136.05159	10.4
137.05989	100.0
138.06366	5.2
139.00316	3.2
145.42110	2.6
149.06023	3.8
149.09621	2.8
150.06793	7.0
151.07568	37.4
155.07047	13.4
163.11195	3.6
165.09106	17.0
166.99794	7.1
169.01350	10.5
173.44997	2.6
178.06250	2.9
193.08647	36.0
194.09021	2.9
199.13362	3.4
207.10172	8.8
209.11839	18.9
211.09612	4.8
211.13351	6.0
225.11259	17.0
227.12866	8.2
241.09839	8.2
251.17552	2.6
253.09073	3.0
255.23314	3.5
256.12030	3.0
300.99783	4.1
309.27945	2.7
315.01123	2.5
315.13492	7.5
353.26740	3.7
449.32385	3.1
459.29636	6.2
461.20251	3.7
515.32294	57.8
516.32678	5.5
533.33325	92.5
534.33948	13.5
551.24908	4.7
611.38202	83.4
612.38055	12.1
653.39374	43.5
654.39545	5.9
671.32562	10.8
671.40308	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	671.4018
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03316	0.6
59.01262	1.5
61.98722	0.3
71.01260	1.4
71.28105	0.5
73.02834	0.3
75.11280	0.3
85.02818	1.2
86.16185	0.3
87.00748	0.6
89.02360	0.3
93.58562	0.3
96.95876	0.6
99.04384	1.0
101.02317	0.5
107.01256	0.4
111.08008	0.5
113.05960	0.6
120.42925	0.3
121.02876	0.4
123.00780	0.7
125.02300	0.6
127.11214	0.5
135.04436	0.3
135.08055	0.8
136.05167	0.4
137.05986	0.8
137.09605	0.4
142.52600	0.3
149.05981	5.7
150.06766	44.0
151.07037	1.7
155.10742	0.8
161.09653	1.1
162.06827	0.8
163.07541	11.4
163.11185	0.5
164.08339	5.8
169.01352	0.9
171.10225	0.7
172.90054	0.3
176.08365	2.2
177.09126	0.8
178.09900	3.5
179.10690	12.9
180.11037	0.5
183.37465	0.3
184.10710	0.3
193.08716	0.4
201.11165	0.4
207.10179	0.9
209.11806	1.0
225.11311	1.4
232.98967	0.4
265.21671	0.5
281.24722	0.4
302.18762	0.4
327.25473	1.5
328.73007	0.3
329.23260	6.1
330.23569	0.6
381.42780	0.3
430.30865	1.4
445.33057	1.1
446.34561	0.5
447.35126	0.7
448.31891	9.0
449.32169	1.4
461.19855	0.3
462.33582	1.3
463.34247	12.3
464.34668	1.3
476.31351	0.4
490.32837	2.6
491.33896	2.9
492.34698	0.4
493.35455	0.5
494.32465	0.4
508.33984	3.2
509.34793	29.6
510.35083	4.1
551.35529	0.4
671.40149	100.0
672.40533	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68763	0.3
59.01255	3.4
63.02275	1.5
65.00185	1.0
65.68353	0.2
67.01736	0.3
69.03323	0.4
70.91869	0.7
71.01235	1.0
73.02847	0.3
77.36929	0.3
83.01241	1.2
85.02832	0.6
87.00739	0.4
87.48241	0.3
89.02325	0.3
95.01235	0.6
96.95869	1.1
97.02769	0.3
101.02293	0.7
105.40541	0.3
107.01266	3.7
108.02047	1.0
109.02850	0.4
111.00755	0.3
112.69673	0.3
113.02312	0.5
121.02833	0.3
123.00768	4.3
124.01536	0.8
125.01426	0.5
125.02328	6.1
135.00726	0.4
136.98616	0.4
139.00261	1.2
140.00990	0.6
141.01753	0.4
148.01561	1.1
149.99438	0.5
151.00264	8.4
153.01813	0.7
161.02332	0.5
163.00220	0.7
163.03943	0.3
164.01042	1.4
166.99756	0.6
168.00519	0.5
169.01340	10.0
170.01712	0.3
180.24837	0.3
189.01859	0.4
199.03876	0.7
200.04762	0.3
202.02299	0.3
212.04630	0.3
216.04135	0.5
226.02626	0.4
227.03413	1.7
228.04149	0.5
243.02945	5.2
244.03712	1.4
254.02199	0.9
255.02942	8.3
256.03500	1.1
259.06067	0.8
271.02469	15.9
272.03189	3.6
283.02496	0.4
284.03177	0.9
287.05618	1.5
299.02029	1.2
300.02740	37.8
300.99771	1.2
301.03140	2.4
314.04260	0.6
315.05087	100.0
316.05411	6.9
355.06689	21.5
356.07153	1.6
395.31888	0.3
461.45947	0.3
469.07666	0.4
548.47760	0.3
671.33832	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	669.3857
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
53.38702	0.3
57.03320	1.1
59.01255	1.9
65.28948	0.3
69.59418	2.1
71.01265	1.1
72.24177	0.3
73.02813	0.5
78.95782	0.4
79.95607	2.5
83.01245	0.4
85.02831	1.2
87.00768	0.7
89.02332	0.6
94.78701	0.3
96.95891	1.2
99.04402	0.9
101.02324	0.7
107.01295	0.4
111.08054	0.7
113.02342	0.6
113.05984	0.5
116.92746	1.2
123.00803	0.8
125.02326	1.2
135.08093	0.7
136.05203	0.6
137.05962	0.4
148.05270	0.4
149.05977	5.7
150.06764	46.3
151.07239	1.3
152.99496	0.4
153.09074	0.3
157.08626	0.7
161.09631	0.9
162.06764	0.8
163.07552	10.8
164.08337	7.2
165.05449	0.3
166.99722	0.6
169.01309	1.6
169.12196	0.4
170.01736	0.5
171.10208	0.5
176.08308	1.9
177.09122	0.8
178.09921	3.3
179.10695	13.0
180.11096	0.5
193.08620	0.6
214.99799	0.4
247.02342	0.4
255.23337	0.4
263.20197	0.6
279.23334	0.5
281.21191	0.9
283.19406	0.4
299.99014	0.4
300.99857	1.4
325.23849	1.4
327.21710	5.4
415.28418	0.5
428.29291	1.4
443.31836	0.9
444.32312	0.4
445.33423	0.4
446.30350	10.2
447.30618	1.2
460.31836	1.3
461.27493	0.3
461.32700	11.7
462.33035	2.0
488.31476	1.8
489.32086	3.2
506.32440	3.4
507.33237	29.8
508.33600	4.6
627.70837	0.4
669.38556	100.0
670.38879	16.4
670.50214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11924	0.2
59.01245	2.9
60.35682	0.2
70.85345	0.5
71.01256	2.0
72.18761	0.2
72.99269	0.3
73.02816	0.4
73.38370	0.2
83.01251	0.3
85.02832	0.5
87.00730	0.5
89.02303	1.4
101.02328	1.8
111.46425	0.3
113.02338	0.9
119.03397	0.4
125.09603	0.7
127.11184	1.8
145.05043	0.3
153.09109	0.5
161.04501	0.4
171.10178	90.6
172.10507	3.5
235.08214	2.9
247.36224	0.2
253.09241	6.5
254.09753	0.5
259.20593	0.3
277.21707	100.0
278.22058	8.7
397.79633	0.3
407.19357	0.5
694.55872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
59.01256	5.2
61.98695	1.3
67.01776	1.2
69.03305	0.8
70.72745	1.0
71.01253	3.4
78.95775	1.1
79.01752	1.5
83.01273	1.0
85.02831	1.5
89.02305	1.0
95.01260	2.1
96.58050	0.6
96.95890	2.7
97.02831	1.5
101.02325	1.8
107.01264	5.2
109.02817	0.6
111.00744	2.8
113.02321	0.9
123.00771	17.4
124.01570	0.9
125.02344	16.5
127.00232	0.9
136.98729	1.5
139.00272	4.1
140.01039	4.1
141.01811	2.2
141.75859	0.6
151.00262	9.0
152.99472	1.3
153.01855	0.9
162.06757	0.7
168.00537	1.9
169.01338	18.3
170.01584	1.0
209.11826	0.9
211.13258	0.9
223.13351	0.8
251.10852	0.7
255.23270	1.2
300.73395	0.6
300.99854	1.6
306.56912	0.7
313.05930	0.7
472.64792	0.7
517.33679	4.4
596.46075	0.7
669.34894	100.0
670.35150	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	667.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
59.01256	4.0
60.87465	0.5
67.01747	1.4
67.43137	0.6
69.03306	1.6
69.29461	3.2
69.29893	2.3
71.01237	2.7
72.99178	0.7
73.02793	0.6
78.95770	1.2
79.01766	1.4
83.01245	1.3
85.02821	1.5
89.02308	1.0
95.01267	2.9
96.95889	1.4
97.02824	0.9
98.58832	0.6
98.65147	0.6
99.00760	0.8
101.02296	1.9
107.01253	4.3
111.00782	3.1
113.02338	1.4
121.03805	0.5
122.99908	1.2
123.00771	20.0
123.01660	1.2
124.01581	1.0
125.02335	21.4
136.98653	2.0
139.00255	5.4
140.01067	4.5
141.01883	2.8
151.00269	10.9
152.99463	0.8
153.01874	0.9
168.00529	3.2
169.01329	20.1
170.01642	0.7
172.57167	0.6
176.20872	0.7
211.16925	0.7
300.99826	0.9
316.12820	0.6
353.26849	1.4
497.30399	0.6
515.32257	5.7
579.60925	0.6
667.33331	100.0
668.33685	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	667.406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54189	0.2
57.03315	0.2
59.01252	1.9
66.18904	0.2
70.21038	0.7
71.01244	1.3
73.02816	0.3
78.95765	0.3
83.01256	0.2
85.02818	0.4
87.00746	0.1
87.66452	0.1
89.02313	1.2
89.99863	0.2
98.00647	0.2
98.20553	0.1
101.02322	1.3
113.02343	0.7
113.34269	0.1
119.03355	0.2
122.62222	0.2
125.09631	0.8
127.07439	0.2
127.11171	1.7
143.03412	0.2
153.09097	0.5
161.04494	0.4
171.10173	100.0
172.10527	4.5
179.05499	0.3
202.03761	0.2
235.08226	1.1
253.09235	4.7
254.09644	0.3
259.20776	0.2
275.20053	0.3
277.21701	49.2
278.22031	4.4
407.19385	0.8
450.54703	0.2
478.15439	0.2
577.72339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51171	0.7
59.01252	5.2
61.98690	1.6
67.01746	1.0
69.89259	0.7
70.01060	2.9
71.01253	5.2
72.99182	1.3
73.02825	1.4
74.64352	0.6
79.01765	1.2
80.96384	4.4
83.01215	0.7
85.02814	1.3
89.02320	1.4
95.01257	2.5
96.95905	2.9
97.02798	1.2
99.00765	0.9
101.02330	2.6
107.01273	5.9
111.00747	2.2
113.02306	1.3
119.03368	1.0
121.02782	0.9
123.00777	16.5
124.01562	1.3
125.02336	22.1
127.00215	1.1
136.98666	2.1
137.02348	1.1
139.00264	4.4
140.01064	4.3
141.01828	2.5
149.02345	0.7
151.00305	7.7
155.05237	0.9
165.01848	0.8
166.99791	1.0
168.00504	4.9
169.01353	22.3
170.01662	0.9
177.01855	1.2
178.09645	0.7
197.50148	0.6
205.01366	1.5
211.02423	8.6
233.00853	1.3
245.34435	0.6
261.00409	10.3
262.00760	1.1
271.04538	4.9
300.99756	1.6
401.12500	4.6
429.12024	5.6
430.12128	0.9
507.19931	1.5
515.32404	4.2
523.19543	2.3
551.19244	1.8
567.16577	0.8
585.17688	3.5
586.18274	1.3
649.33960	0.7
667.33313	100.0
668.33575	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18400	0.4
51.94600	0.4
55.01755	3.3
56.31171	0.5
57.03322	2.3
57.27569	0.4
58.00465	2.0
59.01249	36.8
60.83775	0.5
69.03333	0.6
71.01253	39.7
72.01585	0.6
72.99180	3.1
73.02817	9.5
75.00729	1.3
75.29617	0.4
79.95620	0.7
83.01260	5.6
83.04870	0.5
85.02818	16.3
85.99984	0.6
87.00761	3.3
88.85529	0.5
88.86066	0.5
89.02319	20.2
95.01254	3.4
96.86111	0.5
96.95893	7.0
97.02826	1.1
97.06461	1.7
98.20595	0.7
99.00760	3.7
101.02323	28.7
111.00766	3.0
113.02334	14.5
114.02621	0.6
116.92714	0.7
119.03384	8.5
123.00771	0.9
125.02341	3.0
129.01811	1.1
131.03372	0.9
141.01807	1.0
143.03375	1.3
149.04459	0.5
159.02937	1.2
161.04468	4.6
163.45525	0.4
166.99699	0.7
168.00417	0.5
169.01355	3.3
179.05576	2.5
213.18480	1.0
233.52805	0.5
270.98895	0.6
273.00345	0.5
299.99149	1.0
300.99908	4.3
301.99884	0.6
305.24850	1.7
323.89026	0.4
341.26904	2.1
370.80334	0.5
413.25470	0.7
467.30273	3.8
471.14578	0.5
499.52740	0.5
503.32272	25.3
504.32538	3.0
533.33154	2.0
627.68115	0.5
665.37524	100.0
666.37878	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	665.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.3
57.03320	3.9
58.00463	2.2
59.01252	47.2
69.03329	1.0
71.01252	53.2
71.57107	1.1
72.99190	4.4
73.02815	9.2
79.63993	0.8
79.95600	1.0
83.01256	5.2
85.02819	17.6
87.00752	3.4
88.03912	2.8
89.02313	24.1
95.01270	5.4
96.95889	25.7
97.02796	1.2
97.06491	1.4
97.28819	0.8
99.00762	4.3
101.02323	27.9
107.01260	2.0
107.56120	0.8
111.00769	3.5
112.93616	0.8
113.01614	1.4
113.02332	16.9
115.00278	1.7
116.92717	1.4
119.03399	9.9
123.00768	3.0
125.02351	11.9
131.03365	1.5
132.47131	0.8
137.02367	0.8
139.00250	0.9
141.01830	1.0
143.03419	1.5
149.04504	0.9
155.27780	0.8
159.02869	2.1
161.04483	4.8
166.99812	1.6
168.00569	1.5
169.01347	13.9
170.01778	1.1
179.05525	3.4
190.02621	0.9
193.01363	1.1
199.09489	0.8
217.01385	0.9
245.00830	1.0
270.98856	0.8
275.02240	1.0
300.99945	7.2
302.00174	1.7
305.24765	1.1
317.11737	0.9
341.26831	1.4
386.56857	0.9
466.03314	1.0
467.29922	2.7
491.05414	0.8
503.32294	19.0
504.32614	2.2
513.15680	0.9
521.33722	1.3
551.30939	1.5
665.37561	100.0
666.38141	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	665.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25829	0.9
54.40683	0.9
55.01742	2.8
57.03315	3.7
58.00476	1.6
59.01249	44.7
61.98669	1.0
62.19000	0.9
63.41072	0.9
69.03327	0.9
70.30976	0.8
70.85829	2.5
71.01251	53.6
72.99165	4.3
73.02814	7.9
75.00732	0.9
79.95628	1.2
83.01257	6.2
85.02823	15.2
87.00747	3.5
88.03916	4.8
89.02316	23.5
93.57135	0.8
95.01276	5.6
96.95885	26.8
97.02829	1.0
97.06467	0.9
99.00763	4.8
101.02319	28.9
107.01270	2.7
111.00773	2.4
113.01577	0.6
113.02322	17.4
115.00295	1.4
116.92744	1.7
119.03400	8.1
122.99996	0.8
123.00760	5.1
125.02336	15.0
129.01863	1.1
131.03391	1.1
141.01689	1.1
143.03371	2.0
149.83807	1.0
155.10559	1.0
159.02888	1.7
161.04436	3.5
166.99768	2.8
169.01329	16.8
170.01703	1.4
179.05501	3.2
187.00224	1.3
198.03152	0.9
199.09692	1.3
212.69949	0.9
217.01317	2.0
245.00690	1.1
272.91437	1.1
275.01846	1.9
298.98285	1.6
300.99890	10.7
302.00449	1.1
341.27109	1.9
467.30212	1.7
503.32269	22.4
503.39279	1.9
504.32913	2.1
551.30469	1.5
627.44873	1.0
665.37549	100.0
666.37360	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	665.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93766	1.3
68.06110	1.3
69.38754	1.2
71.01256	11.2
71.05077	1.4
98.19754	2.5
99.10529	1.3
115.00250	6.1
119.04915	40.5
119.05732	2.8
125.02331	2.3
133.01314	2.9
133.02856	2.2
149.82237	1.2
161.02390	1.4
163.03909	100.0
164.04279	3.2
169.01270	2.8
175.00307	2.2
188.03555	2.1
217.01573	1.5
230.04573	1.7
265.85144	1.4
279.05106	4.9
297.04065	1.9
308.07861	2.4
348.05334	1.5
369.66806	1.7
370.12134	1.4
380.30072	1.5
449.87485	1.7
488.14395	1.8
638.15582	1.7
648.15869	5.6
665.15430	3.3
666.16718	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	665.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81304	17.1
71.20337	2.7
74.87799	2.3
83.01256	4.6
83.95037	2.6
90.14624	2.5
93.03311	3.5
95.01251	3.1
95.28404	3.1
98.20462	4.3
107.01237	3.2
110.36371	2.9
111.00738	17.7
119.04939	4.3
121.02859	4.6
123.00749	8.0
125.02315	13.3
127.00210	3.3
133.02858	5.0
137.02379	6.4
139.00232	21.0
145.02846	7.0
147.04469	4.4
149.02353	3.2
151.00230	4.8
154.99712	5.5
161.02306	14.0
162.02888	3.8
163.00235	11.9
163.03893	8.9
165.01846	5.8
166.99701	4.5
169.01346	16.8
173.02313	7.9
175.03926	5.9
177.01801	10.8
178.99738	2.6
182.99295	18.5
185.02336	4.4
189.01840	14.2
190.02577	4.6
191.03403	17.8
194.99269	6.5
201.01927	8.0
205.01334	10.3
207.03001	4.1
209.00900	4.6
214.17278	2.9
214.99751	4.6
216.00517	3.8
217.01395	20.4
218.01923	3.8
219.02835	4.2
221.00873	5.3
229.01323	9.5
230.99333	3.9
231.02859	6.1
232.00060	3.0
233.00891	9.9
235.02376	5.4
237.00249	3.0
245.00822	18.5
247.02338	6.4
257.00848	4.0
257.98532	2.6
259.99417	2.9
261.00430	13.9
263.01917	15.9
270.98807	5.0
273.00348	12.0
274.01126	9.3
275.01974	19.8
285.35245	3.3
286.98395	9.6
288.99921	17.4
291.01611	3.9
298.98334	5.3
299.99045	13.1
300.99863	100.0
302.00098	6.0
307.00891	6.9
314.97714	7.7
315.98474	6.5
316.99384	78.7
317.99719	4.2
332.98843	11.8
405.04675	4.4
451.05020	5.1
463.05179	28.6
464.05423	3.6
469.05887	6.4
479.04529	3.0
551.06366	4.5
575.06598	8.5
576.07025	4.7
609.02277	3.4
619.05396	4.3
621.07562	3.2
632.06366	4.7
647.04340	4.1
654.43658	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	663.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.7
67.01768	1.5
71.01240	1.8
71.56934	0.9
89.02280	1.4
95.01279	2.3
96.95884	3.1
96.96873	1.0
97.02866	0.8
101.02299	1.4
109.02882	1.6
111.07926	0.7
121.02828	1.2
123.00777	2.6
125.02344	5.1
135.00792	1.1
136.01579	2.1
137.02342	18.8
149.02325	1.0
151.00351	1.3
151.03880	4.2
153.05466	2.1
161.02299	1.1
163.00298	0.8
163.03906	2.3
164.01031	3.0
164.04640	1.1
165.01839	100.0
166.02209	3.2
166.99734	1.6
169.01332	5.8
177.01807	1.7
177.05553	1.7
179.03424	33.1
179.06946	1.2
180.04196	62.8
181.04973	53.5
182.05562	4.6
191.03522	1.1
194.05795	9.6
195.02864	2.7
195.06558	92.0
196.07323	42.2
197.07982	4.7
205.04985	3.6
209.08081	1.3
210.05257	14.0
211.09700	41.7
212.09976	2.6
217.01219	1.0
225.07632	95.3
226.07993	4.0
270.98737	0.7
271.02509	1.1
287.01880	1.6
299.98935	0.9
300.99948	4.2
316.02179	4.5
317.02612	0.8
327.08594	1.1
329.10309	1.5
330.10889	0.8
331.04584	4.6
343.08240	1.1
358.10211	1.3
359.11472	2.1
373.08902	1.2
373.12939	2.8
374.13715	1.7
388.11282	0.8
389.11707	1.3
389.16125	12.5
390.16455	2.1
403.13980	40.0
404.14340	4.4
437.18210	2.2
442.51877	0.9
451.16110	13.4
479.07306	1.1
615.24304	13.7
616.24713	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	663.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57846	0.7
59.01233	3.1
63.63026	0.7
65.84688	0.8
67.05666	0.8
67.44293	0.7
67.82921	0.8
70.07671	0.6
70.91788	2.1
71.01247	3.2
88.03915	1.6
89.02336	1.2
95.01257	2.7
96.95889	3.3
97.02797	1.2
101.02292	1.0
109.02798	1.1
115.00228	0.8
117.03281	1.0
123.00813	3.9
125.02318	4.8
136.01543	2.1
137.02332	16.8
139.00250	1.1
145.26114	0.8
147.00687	1.2
147.06819	0.7
148.01588	1.5
149.05971	1.2
151.00322	1.1
151.03912	3.9
153.05481	3.0
161.02306	1.2
163.03879	1.4
164.01079	3.6
165.01842	100.0
166.02161	4.1
166.99756	1.7
167.03371	1.3
169.01311	4.7
177.01686	1.0
177.05499	1.4
178.02620	1.1
179.03407	27.1
179.06973	1.0
180.04202	57.8
181.04982	51.9
182.05602	4.0
194.05783	6.6
195.06554	83.2
196.07321	38.6
197.08008	4.0
205.04996	2.2
210.05264	11.4
211.09697	38.3
212.10042	2.2
213.76799	0.7
225.07631	77.0
226.07942	2.8
245.00810	1.7
257.00793	1.0
273.00165	1.1
300.99829	4.1
329.10309	1.0
343.08185	1.2
359.11191	3.0
373.08936	1.8
373.12997	2.3
374.13596	2.2
389.12411	0.9
389.16138	11.2
390.16388	1.1
403.13968	36.0
404.14249	3.6
437.18137	2.1
451.16074	11.1
465.22809	0.8
479.07312	1.8
572.31250	1.1
615.24451	14.7
616.24738	1.4
663.30719	4.4
664.35455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49329	3.8
59.01252	50.1
71.01255	48.2
71.56509	4.9
73.45353	4.2
78.95786	7.9
84.80069	3.7
85.02805	7.5
86.83290	3.8
87.00763	10.9
89.02316	50.5
101.02341	28.0
113.02325	17.6
119.03369	22.8
131.03355	6.7
139.13846	4.2
143.03383	7.4
161.04500	8.7
179.05539	18.1
239.82153	4.6
267.67999	4.8
277.21677	100.0
278.22144	7.3
291.23190	4.5
323.09732	23.3
341.10828	63.0
343.03955	4.4
439.61288	4.1
601.32507	13.8
632.94727	4.5
657.97186	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	663.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92316	1.5
59.01250	6.5
71.01256	5.4
72.47104	1.3
86.74784	1.4
89.02325	2.6
98.20567	3.5
101.02319	3.4
113.38046	1.5
123.00764	10.0
125.02332	16.3
137.09152	1.4
141.00394	1.5
151.00308	9.9
169.01332	41.2
169.02769	2.4
184.45825	1.5
189.35600	1.8
211.02380	6.4
229.29155	1.6
271.04626	4.9
274.18585	1.6
331.06683	100.0
332.07059	5.6
386.71799	1.4
501.59644	1.8
519.35486	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	8.3
59.43168	1.9
60.94886	1.9
60.99416	1.7
61.98704	4.1
65.00175	4.0
71.01247	5.2
71.56792	3.0
78.95776	1.9
79.95600	6.4
83.04884	2.1
85.02842	3.9
89.02312	2.6
89.98208	1.9
95.01266	3.9
96.95893	16.8
97.02823	4.8
101.02322	4.9
109.02882	2.2
113.02352	2.2
123.00806	6.3
125.02302	7.7
127.03845	4.1
136.01547	2.5
136.98593	1.9
137.02348	3.3
139.00287	4.4
140.01077	1.7
149.02515	2.2
151.03879	2.0
153.01817	8.2
161.02330	4.9
163.00302	4.9
164.01070	12.3
165.01822	4.8
166.99828	2.1
167.03415	2.1
169.01337	5.8
171.10159	3.9
175.03932	8.3
177.01956	2.4
178.99744	6.7
180.00488	3.3
181.01335	7.4
182.02083	4.6
183.02913	5.2
189.01813	6.2
190.99802	2.9
192.00543	2.2
193.01315	5.0
195.02992	3.6
197.11774	5.5
203.03400	6.6
205.01355	3.3
206.99188	2.4
208.00058	66.4
209.00392	2.8
209.11789	5.9
214.99855	2.9
215.03377	1.9
216.00705	2.6
217.01297	7.5
219.10223	7.7
222.01620	4.5
223.02438	100.0
224.02783	2.9
226.02731	2.3
232.00009	7.5
234.98183	1.9
247.02446	30.3
248.02791	2.6
251.01997	7.7
258.98795	5.1
261.00323	5.5
275.01987	5.2
282.01663	5.4
286.98203	9.8
300.99850	3.7
315.12604	2.5
319.00974	29.6
320.01288	3.3
377.12396	5.8
385.12967	3.0
391.14087	4.0
409.15033	22.5
411.10822	9.0
417.15363	3.5
433.19846	2.6
443.13428	3.4
459.12637	3.9
535.19543	3.2
543.22546	3.5
567.21765	4.6
579.18927	2.7
585.23260	8.4
611.20795	5.2
617.26233	2.8
625.38770	3.9
629.22351	46.8
630.22687	9.1
660.37091	3.0
661.24872	41.6
661.36609	12.5
662.25378	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	660.349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65171	0.4
59.01247	100.0
60.01583	0.8
61.04922	0.4
66.87827	0.3
69.36709	3.4
78.95781	1.5
79.95585	0.6
108.17121	0.4
141.01588	76.8
142.01923	0.8
152.99467	0.7
186.27336	0.4
269.66052	0.4
272.54837	0.4
279.23343	4.4
329.31842	0.4
504.30917	2.7
523.41376	0.4
535.27136	0.4
578.26361	0.8
627.88898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2139
Annotation	BK 223B
Peak:m/z	Relative Intensity
59.01241	1.1
65.00171	0.7
67.01757	1.2
69.03334	1.0
71.01241	1.6
71.55975	0.7
71.56361	0.7
79.01761	1.3
81.03337	1.1
83.01240	1.1
87.00718	0.7
90.90406	0.7
95.01270	2.2
96.95912	1.3
97.02823	1.6
98.82484	0.8
107.01271	7.6
109.99950	0.9
111.00737	5.3
121.02849	8.0
123.00764	13.6
123.04382	1.1
124.01595	4.3
125.02335	75.4
126.02653	2.8
127.00267	1.1
136.01555	0.8
136.98694	2.5
137.02335	1.8
139.00270	6.1
139.03903	2.0
140.01035	7.2
141.01868	1.6
145.02908	0.8
149.02350	1.6
150.03107	2.4
151.00261	8.2
151.03923	1.4
153.01857	1.7
156.74924	0.6
162.03081	1.2
163.03926	1.1
165.01823	1.8
165.05508	2.2
166.02672	0.9
166.06258	25.7
166.99770	1.8
167.06644	1.2
168.00557	9.4
169.01331	100.0
170.01701	2.7
179.03281	0.8
180.04276	1.3
181.01317	1.8
181.05052	1.4
181.08626	5.0
183.02888	7.7
189.01820	1.1
195.02953	1.1
195.06586	1.5
214.99686	1.0
216.00685	1.0
217.01273	1.0
229.01343	0.9
229.05138	1.2
232.97603	0.7
245.00861	1.3
257.04645	1.0
270.98810	0.8
275.01999	1.0
285.00974	1.3
285.04047	19.4
300.99988	3.8
301.99957	0.7
303.01453	0.9
313.05618	10.1
313.08960	0.9
317.06583	1.4
347.07727	9.4
479.11972	5.8
479.80313	0.7
529.17114	65.6
530.17615	7.1
661.09735	2.8
661.21338	66.4
662.21429	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	659.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93680	19.2
57.39180	18.3
58.16615	17.2
59.01225	24.0
69.86333	100.0
78.95812	93.9
80.96360	32.0
98.20459	25.4
102.28020	16.5
107.31805	21.0
152.99506	61.5
158.24084	20.0
166.41878	22.1
171.00467	22.7
187.71838	19.2
201.97704	17.5
242.42720	20.8
269.07379	18.5
295.22870	24.2
344.49432	22.1
363.12338	28.5
379.94141	19.4
412.15384	22.1
577.26447	38.2
623.34167	37.7
633.45654	18.7
659.35028	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.5
60.96213	3.1
65.60130	3.4
71.01254	8.7
71.48586	6.0
73.02827	4.4
78.95769	11.9
78.98476	5.2
79.95618	10.4
80.96387	59.7
83.10321	3.3
84.69852	4.0
93.56137	4.2
94.97968	11.6
96.95840	4.5
106.97947	3.5
107.93657	3.5
122.97453	4.9
125.02302	4.6
133.02814	3.4
148.99084	5.9
152.99525	6.5
159.55403	3.7
162.13194	3.6
164.98569	11.1
211.13313	5.2
225.00523	18.6
277.21732	7.5
299.04361	10.1
577.26868	100.0
578.27228	17.4
623.34381	6.7
659.35925	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	659.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80978	0.4
51.82415	0.5
59.01262	0.8
65.99878	0.5
67.01762	1.3
68.99688	0.7
69.03359	0.6
71.01257	1.1
71.57072	0.7
77.46590	0.5
79.01754	0.6
83.01242	0.6
83.39587	0.5
93.03323	2.0
95.01266	2.2
95.04895	1.1
96.95872	1.3
105.03348	1.5
107.01261	3.1
107.04913	4.6
108.02061	0.7
109.02844	1.7
109.99990	0.8
111.00763	3.9
115.77390	0.6
121.02847	26.1
123.00764	9.6
123.04408	5.0
124.01583	2.8
125.02343	12.3
126.02677	0.6
127.00255	1.4
133.02838	0.9
134.03642	1.7
135.04398	2.3
136.98764	1.2
137.02339	3.3
139.00270	4.1
139.03874	0.9
140.01064	5.2
141.01839	1.0
147.04424	0.7
149.02361	2.0
149.06000	1.3
150.03107	5.4
151.00275	1.4
151.03914	17.6
152.04236	0.8
153.01860	0.8
154.99826	0.6
163.03996	0.7
164.04727	1.1
165.01816	1.7
166.02620	2.0
166.06267	100.0
166.99797	2.5
167.06595	4.0
168.00562	6.1
169.01344	15.4
169.02794	1.1
174.28549	0.6
177.01845	1.8
180.04251	0.7
181.05084	1.1
181.08624	28.0
182.08981	1.9
183.02847	1.6
193.01357	0.9
194.02118	1.6
195.02911	19.1
195.06619	0.8
196.03310	0.8
205.04939	0.6
208.03836	0.5
209.00854	2.3
216.43936	0.7
225.42722	0.5
228.07938	0.9
248.14578	0.5
251.09309	1.4
272.06888	0.9
287.09171	3.1
320.04120	0.6
331.08200	15.3
332.08609	1.0
348.60892	0.5
477.14157	5.8
497.34872	1.2
513.17621	15.7
514.18036	2.7
519.11395	1.5
563.56805	0.5
605.01923	0.7
659.23413	98.7
660.23828	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48980	0.6
59.01240	2.0
60.75609	0.7
62.20270	0.7
65.00189	1.1
67.01752	3.5
69.03316	1.2
71.01263	3.5
71.56618	1.2
73.02792	0.7
79.01770	4.5
83.01285	0.8
84.17466	0.6
85.02818	1.4
86.54237	0.8
89.02322	0.8
91.01787	0.7
95.01254	7.4
96.95889	6.1
97.02834	1.3
99.00755	0.8
101.02313	2.2
107.01282	1.5
109.02859	0.8
111.00760	1.3
113.02325	1.8
115.00272	0.7
119.01275	2.6
121.02876	1.3
123.00767	55.5
124.01582	14.8
125.02364	4.6
130.55089	0.7
135.04402	1.6
137.02370	1.2
138.03119	5.7
139.00256	7.5
139.03920	7.6
141.01813	5.6
147.00774	2.8
149.02336	9.6
150.03094	1.3
150.99120	1.5
151.00276	21.5
152.00914	0.8
153.01758	0.8
161.04517	0.7
162.03146	1.0
163.00243	0.9
163.03900	1.9
164.04703	8.1
165.01889	1.5
165.05318	0.9
166.99762	2.3
169.01289	5.7
169.04907	0.7
170.01653	0.8
175.00287	21.5
176.01060	4.5
177.01865	1.1
179.07066	1.3
189.01901	0.9
190.02638	72.4
191.03331	10.1
193.01414	0.7
203.80383	0.7
205.04999	72.3
206.05292	3.3
208.03705	1.4
209.04514	1.7
223.06064	9.1
241.99515	0.8
245.00801	1.0
247.02377	0.9
270.99042	0.8
291.05084	4.4
300.99860	3.3
301.03299	1.3
303.03979	0.9
316.02258	0.8
317.02432	0.8
329.02869	1.0
345.06018	1.3
353.08533	1.0
367.10379	8.2
453.04358	0.9
453.10336	6.4
493.13635	7.8
494.13867	0.9
507.15067	100.0
508.15466	10.0
625.35815	0.7
641.88599	0.7
659.16193	44.5
660.16541	7.8
660.28717	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	658.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08050	0.3
59.01249	100.0
60.01589	1.0
60.40028	0.3
69.45694	2.0
69.46104	0.6
78.95773	0.8
98.20489	0.6
116.29139	0.3
123.21367	0.3
141.01596	74.1
142.01979	1.5
152.99551	0.3
211.13286	0.4
246.04042	0.6
277.21735	3.3
278.21814	0.5
411.21063	0.8
502.29172	2.5
503.29733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.6
58.87365	0.4
59.01242	1.8
68.99722	0.3
70.63330	1.3
71.01238	1.2
85.02797	1.1
87.00726	0.9
89.02327	0.7
96.95873	1.2
99.04344	0.5
101.02327	1.0
113.02307	0.4
119.41448	0.3
121.06469	1.1
122.03608	1.2
123.00745	0.6
125.02333	1.7
125.32167	0.4
127.11169	0.7
135.04433	2.9
136.05199	41.1
136.88753	0.3
137.05673	1.2
137.09581	0.9
147.08061	1.1
148.05229	0.4
149.05980	8.3
149.07161	0.5
150.06767	5.7
155.10622	0.6
162.06798	3.5
163.07573	1.8
164.04713	0.5
164.08325	4.9
165.09119	18.7
166.09468	0.8
166.99779	0.7
169.01332	1.6
171.10168	0.4
179.07104	0.4
179.10715	0.6
183.13774	0.4
185.02299	0.4
190.02632	1.0
202.53070	0.3
205.04974	1.0
209.11780	2.7
211.13342	4.4
253.09297	0.4
265.07114	0.5
265.21616	0.8
283.22833	0.5
300.99911	1.0
301.03369	0.6
311.22119	0.4
315.21777	0.5
327.25381	0.7
329.23303	7.7
330.23703	0.8
343.11917	0.6
416.29184	1.1
431.31915	1.7
434.30353	3.8
435.30807	0.5
448.31839	0.7
449.32684	18.0
450.32892	2.3
476.31433	1.6
477.32236	4.1
494.32352	3.6
495.33255	33.1
496.33588	4.2
537.34668	0.6
575.24951	0.6
657.38550	100.0
658.38873	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06583	0.5
51.89639	0.5
59.01237	3.9
61.98703	1.4
65.00166	0.9
67.01761	0.8
69.03333	1.1
69.74579	1.3
69.74993	2.1
70.27304	0.5
71.00909	0.7
71.01239	3.8
72.99204	0.6
79.01749	0.8
79.95592	1.7
80.02519	0.7
80.96396	1.7
81.03325	0.9
82.31088	0.6
83.01248	1.5
83.04898	1.3
85.02823	1.6
87.00755	1.1
89.02316	1.3
95.01266	2.6
96.95901	4.9
97.02828	0.8
99.00764	0.7
101.02311	3.3
107.01254	5.0
107.08703	0.5
109.02827	0.6
109.06445	0.6
111.00766	3.4
112.93617	10.9
113.02328	1.1
121.02868	0.6
123.00768	17.2
124.01559	0.9
125.02328	19.3
127.00211	1.0
132.04482	0.7
136.98686	1.9
137.02303	0.6
139.00272	5.7
140.01065	5.3
141.01799	2.5
148.05202	0.6
149.05951	0.7
150.06760	6.6
151.00262	10.2
151.03874	0.6
153.01802	1.0
154.99757	0.5
163.03868	0.5
163.07541	1.9
163.11215	1.3
164.08481	0.6
165.12801	0.7
166.52237	0.4
167.10611	0.6
168.00526	4.0
169.01334	22.3
169.02785	1.1
170.01646	1.0
171.10149	0.6
179.10692	1.9
183.13812	1.1
198.53680	0.5
209.11758	27.4
210.12166	4.8
211.13390	16.1
212.13690	1.5
227.12761	4.0
235.08174	0.8
253.09286	2.1
285.43948	0.6
300.99835	1.2
301.10031	0.5
313.05542	1.2
315.13495	0.8
332.38385	0.5
445.37726	0.6
447.22247	0.6
480.34265	1.0
494.35696	1.1
495.36908	10.8
496.37360	1.4
627.33777	2.3
639.33875	0.7
657.25970	7.9
657.34985	100.0
658.26013	1.9
658.35364	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
67.01749	0.5
69.03336	1.2
70.96763	0.7
71.01239	0.5
79.95604	0.5
81.03344	0.8
83.01271	0.5
85.02798	0.4
95.01245	1.5
96.95866	0.7
97.02824	1.3
101.78255	0.4
107.01267	12.9
110.05089	0.4
111.00765	1.4
121.02856	0.7
123.00763	3.8
124.01555	5.0
125.02337	73.6
126.02671	2.1
127.00275	0.7
127.62595	0.4
136.98718	0.9
139.00259	1.8
139.03880	2.3
140.01054	1.6
141.01775	0.4
151.00269	0.9
165.01828	0.5
166.99789	0.6
168.00557	6.3
169.01337	100.0
170.01701	3.3
183.02919	7.7
195.06531	0.5
269.08203	1.0
270.01874	0.4
283.09549	2.2
284.10236	0.5
295.09561	0.6
297.06149	1.2
300.99838	1.0
311.09259	5.2
312.09860	2.0
314.11719	0.9
315.07285	0.8
316.02264	0.5
325.11017	0.6
326.11514	3.8
327.12268	1.2
329.13916	1.1
341.13965	1.1
343.11786	1.5
355.11859	2.3
511.16046	26.7
512.16321	3.4
627.20813	0.6
657.21881	63.8
658.22211	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	657.219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	0.7
67.01767	2.0
68.99722	0.7
69.03336	1.3
69.52767	1.3
69.53180	1.0
71.01257	1.0
72.99181	0.6
73.72835	0.3
76.15788	0.3
79.01780	1.3
81.03345	1.0
83.01259	1.0
87.00752	0.3
95.01263	7.6
96.95906	0.4
96.99187	0.3
97.02814	1.6
106.00517	0.4
107.01270	6.5
108.02122	0.5
109.02840	2.1
110.00002	0.7
111.00768	5.4
121.02840	3.5
123.00769	30.6
123.04414	0.5
124.01608	4.0
125.02334	28.0
126.02678	0.8
127.00278	1.8
134.03633	0.3
136.98729	3.1
137.02347	1.3
138.03172	0.4
139.00275	8.3
139.03899	5.8
140.01060	7.0
141.01845	3.6
147.04430	0.3
151.00282	4.8
151.03908	0.7
153.01865	1.3
153.05544	0.4
154.99768	0.5
161.06017	0.6
166.99763	11.2
167.03435	0.4
168.00560	8.4
169.01340	24.6
170.01697	0.9
173.16840	0.3
181.01335	1.1
182.02197	0.5
183.02908	13.7
184.03247	0.7
186.54974	0.3
195.01262	0.4
195.02861	2.3
197.04488	1.4
215.98358	0.3
219.21602	0.3
240.04187	0.9
253.08665	0.6
254.05862	0.5
255.06569	0.8
265.08728	0.5
267.06622	0.4
268.07358	0.7
269.08163	1.9
277.76166	0.3
281.08224	2.0
282.08862	2.3
283.09528	1.5
293.08234	0.9
294.08887	0.5
295.09790	0.7
297.11172	0.6
299.09253	1.6
300.10022	2.2
301.10687	0.8
311.09250	0.9
312.09985	0.5
314.11621	1.6
315.12357	11.6
316.09451	0.5
316.12698	1.1
326.11649	2.2
327.12363	5.4
328.12778	0.5
329.13876	2.3
331.08212	1.2
332.09067	1.7
341.13916	1.0
344.08652	0.7
345.09836	0.7
346.10547	1.5
370.10651	0.5
375.10779	3.7
376.10913	0.4
434.09937	0.4
448.11551	1.9
449.12424	1.3
450.13284	0.4
451.10251	4.9
452.10910	0.6
460.11688	1.1
461.11322	0.4
463.09894	1.6
465.12051	2.0
466.12643	15.8
467.13199	2.8
477.12088	0.8
478.12662	17.0
479.13159	3.5
480.14218	1.2
481.15015	62.1
482.15320	9.4
492.99710	0.4
493.15054	24.5
494.15582	3.0
511.16046	32.8
512.16357	4.5
627.20728	0.6
639.20752	0.5
657.21851	100.0
658.22174	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.0
67.01774	0.3
69.03324	1.4
69.37072	2.0
71.01244	0.4
72.91321	0.2
79.01753	0.5
80.96393	0.4
81.03344	0.5
83.01239	0.4
85.02850	0.3
88.98681	0.8
91.59533	0.2
95.01268	1.0
96.95876	1.1
97.02824	1.4
97.71179	0.2
98.19814	0.5
101.02361	0.3
107.01273	12.2
108.01574	0.3
111.00776	0.3
112.93645	0.3
121.02819	0.3
123.00744	1.0
124.01560	0.9
125.02335	75.0
126.02668	2.6
139.03854	0.4
140.01141	0.3
145.02808	0.3
151.03854	0.2
151.50462	0.3
166.99788	0.5
168.00574	0.5
169.01334	100.0
170.01680	2.9
183.02933	2.1
209.11774	0.4
259.85257	0.2
283.09595	0.3
293.08301	0.4
300.99738	0.8
301.03070	0.3
311.09363	0.3
326.11615	0.8
327.12354	0.7
340.24945	0.2
341.14005	0.3
355.11856	0.5
382.35654	0.2
457.15137	0.7
458.15393	0.5
472.17255	0.5
473.18280	0.5
481.14868	0.3
487.19925	1.0
511.15942	0.3
600.66608	0.2
608.68744	0.2
657.21857	35.3
658.22205	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	657.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08527	2.3
63.02263	3.1
65.00185	5.4
71.01235	2.8
71.56407	5.2
77.27245	2.0
83.01273	3.0
88.03886	2.2
95.01282	4.9
103.28021	2.5
107.01286	6.7
111.00762	7.8
123.00780	9.2
124.01540	3.0
125.02307	16.3
131.05023	2.3
131.34665	2.5
137.02342	6.7
139.00284	10.2
149.02376	3.9
151.00287	20.6
153.01857	7.2
154.99707	4.1
159.04341	2.6
161.02399	6.3
163.00299	6.4
164.01077	3.6
164.98259	3.7
165.01909	4.8
166.99742	3.3
168.00507	5.4
169.01300	5.0
174.03244	2.5
175.03894	3.3
177.01837	4.0
177.98978	6.6
178.99783	49.8
185.02261	2.9
187.03883	3.5
189.01830	5.3
190.02615	3.1
190.99710	4.9
191.03441	5.1
193.01335	7.8
194.99239	6.2
197.00839	4.1
201.01881	3.4
203.03427	11.9
205.01422	6.3
206.99260	3.7
213.01889	4.8
215.03465	4.1
217.01384	6.2
218.02090	3.7
219.02895	5.5
222.01711	2.5
229.01337	7.1
231.02928	10.4
233.04478	3.7
235.02486	2.9
241.01453	4.2
243.02911	5.9
245.00888	5.2
247.02579	4.6
248.03253	4.0
257.00732	3.6
259.02448	17.5
261.00409	8.4
270.01556	2.7
271.02481	4.7
274.01416	3.9
275.01895	4.3
276.02515	2.7
285.00339	3.2
286.01193	2.8
287.01990	35.6
288.02481	2.5
302.00659	5.1
303.01498	21.3
304.02145	5.2
305.03131	2.9
312.99890	17.0
314.00586	2.6
315.01501	18.8
316.02264	10.8
317.03003	4.6
330.00201	3.9
331.00934	100.0
332.01431	11.4
348.01157	7.8
435.48480	2.4
495.07773	3.1
505.11926	7.2
510.10913	2.6
517.12079	5.7
557.15466	4.1
623.12445	2.9
639.11932	19.9
657.12921	30.7
658.13611	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	657.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.2
63.02264	2.8
65.00191	4.8
71.01256	0.2
81.88984	0.1
82.00730	0.1
83.01256	3.2
93.03336	1.2
95.01278	0.2
96.95880	0.3
107.01266	10.0
108.01616	0.2
109.02825	1.3
109.30782	0.2
111.00780	0.2
119.01311	0.3
121.02841	9.2
122.03167	0.3
123.00752	0.4
125.02338	1.1
126.39294	0.1
137.02242	0.1
139.03912	0.6
140.01019	0.2
147.00778	0.2
148.01552	0.3
149.02361	0.9
151.00270	33.9
152.00644	1.0
157.06491	0.2
159.04419	0.4
161.02354	0.3
163.00293	1.7
163.03922	0.6
164.01039	0.6
165.01846	0.1
167.04948	0.2
169.01341	3.0
170.01601	0.1
171.04427	0.2
172.22433	0.1
173.05954	0.2
175.03848	0.3
178.99777	16.1
180.00111	0.5
183.04546	0.3
185.06042	0.2
187.03922	0.4
189.01898	0.2
189.05460	0.2
192.00516	0.2
193.01321	0.6
199.03883	0.2
201.05490	0.5
203.03485	0.2
205.05014	0.3
211.03951	0.9
215.03392	0.2
218.06778	0.1
227.03575	0.7
229.05023	1.0
239.03513	0.3
240.04262	0.2
243.03006	0.5
244.03497	0.2
245.04558	1.4
255.02991	1.1
256.03442	0.2
257.04535	0.6
271.02448	0.8
272.02942	0.4
273.04065	1.9
283.02463	0.4
299.02072	0.3
300.02673	1.2
301.03516	100.0
302.03860	8.0
305.24942	0.1
337.21872	0.1
355.06683	3.2
356.07071	0.2
505.09830	0.6
657.11383	1.0
658.11481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3698
Annotation	Russelioside A
Peak:m/z	Relative Intensity
53.31203	0.4
57.03312	1.5
59.01255	3.0
63.68398	0.4
70.32214	1.1
71.01260	2.1
73.02785	0.7
78.95782	1.9
79.95604	0.5
80.96445	0.4
83.01264	0.5
83.04895	0.6
85.02815	1.0
87.00758	1.2
89.02316	1.1
95.01290	0.9
96.95895	1.8
97.02856	0.6
98.19869	0.5
99.04385	0.6
101.02324	1.2
107.01299	0.9
107.04919	0.5
113.02373	0.6
121.06506	1.5
122.03575	1.0
123.00809	2.5
125.02329	4.0
135.04404	2.6
135.08075	0.7
136.05196	45.7
137.05904	1.8
140.01111	0.6
141.01773	0.5
147.08089	0.7
148.05194	0.4
149.05983	8.5
150.06772	5.2
151.00301	1.0
151.07562	0.7
152.99506	1.3
153.09096	0.8
162.06761	3.5
163.07487	2.1
164.08337	5.6
165.09125	23.4
166.09459	0.9
166.99721	0.6
168.00604	0.6
169.01344	4.1
169.12158	0.6
171.10168	0.9
179.07025	1.1
179.10738	0.7
185.11627	0.4
207.10182	0.8
209.11771	6.5
209.48019	0.6
211.02531	1.1
211.13339	0.8
225.11397	0.8
227.12839	1.1
263.20172	1.0
271.04614	0.5
276.39166	0.5
281.21237	1.2
292.85034	0.5
300.99902	0.9
313.20313	0.5
327.21735	8.8
328.22318	0.6
414.27789	1.0
418.17990	0.6
429.29947	2.3
430.30661	0.7
431.31738	0.7
432.28687	4.4
446.30664	0.9
447.31094	18.3
448.31659	2.4
474.30081	1.7
475.30612	4.8
492.30667	3.7
493.31638	36.2
494.32071	4.8
513.88037	0.5
536.32062	0.5
591.25446	0.6
596.23169	0.6
623.28851	0.7
637.32660	1.0
655.37012	100.0
656.37384	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25200	0.5
55.01739	0.5
57.29613	0.5
58.00488	0.5
59.01250	4.6
61.98687	0.6
67.01768	0.9
69.03317	0.8
70.00296	0.5
70.22054	2.7
71.01246	5.6
72.17310	0.5
72.99180	1.1
73.02814	1.4
78.95759	0.7
79.01775	1.1
79.95581	0.7
81.03332	0.7
83.01247	1.6
83.04928	0.9
85.02821	2.0
87.00768	0.9
89.02306	3.2
90.14796	0.6
95.01258	3.6
95.04892	0.6
96.95900	4.7
97.02824	1.5
101.02305	4.5
107.01270	5.5
111.00774	2.9
113.02330	2.1
119.03352	0.8
123.00767	17.6
124.01550	1.2
125.02335	19.1
126.02702	0.8
127.00215	0.9
136.98708	1.7
137.02394	0.8
139.00273	4.5
140.01027	4.5
141.01854	3.0
150.06775	5.4
151.00267	10.9
153.01833	1.0
161.04445	0.9
163.03957	0.9
163.07596	0.8
163.11201	1.3
164.56099	0.5
168.00479	3.2
169.01341	22.6
169.02783	1.2
170.01666	0.9
171.10168	0.6
179.05574	1.1
179.10693	2.1
207.10274	1.2
209.11766	20.1
210.12103	1.0
211.02406	0.6
211.13379	3.0
211.15295	0.5
225.11324	1.5
227.12769	1.7
235.08359	0.6
253.03226	0.6
253.09250	1.7
300.99835	1.1
313.05823	1.2
401.23383	1.4
419.24167	0.9
475.27292	0.7
492.35242	0.8
493.24182	1.4
493.35315	11.3
494.35428	0.7
540.42859	0.6
611.37213	0.7
625.32306	2.3
637.32373	2.1
655.33319	100.0
656.33789	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	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.7
56.86289	0.6
57.49835	0.6
59.01248	4.2
61.98685	1.8
63.14659	0.6
67.01750	1.5
69.03302	1.2
70.86912	0.9
70.87252	1.2
71.01244	5.4
72.99192	1.3
73.02817	1.4
78.95766	2.0
79.01737	1.2
83.01264	0.9
85.02817	2.0
87.00751	0.7
89.02305	2.3
95.01244	2.6
96.95881	2.4
97.02811	1.4
99.00756	0.8
101.02322	3.3
101.71854	0.7
107.01241	5.0
109.99986	0.8
111.00768	3.2
113.02316	1.8
121.02778	0.7
123.00774	17.2
124.01618	0.8
125.02336	21.5
125.09682	0.7
126.02660	0.8
127.00286	1.2
135.04362	1.0
136.05188	6.2
136.98682	1.9
137.09586	0.7
139.00250	5.0
140.01045	4.8
141.01770	2.0
149.05959	2.1
150.06790	2.6
150.99141	0.8
151.00279	11.3
152.99463	0.9
153.01802	0.8
163.11089	0.8
165.05447	0.6
165.09099	1.9
166.99809	1.1
168.00533	5.6
169.01340	26.3
170.01703	1.2
189.01764	0.7
209.11711	5.0
211.02475	7.2
211.13396	1.2
227.12828	0.9
253.09261	0.8
271.04556	5.2
273.00372	0.7
300.99850	1.7
313.05548	1.2
320.07224	0.7
343.11716	0.7
449.32712	5.6
450.33105	0.9
493.31879	1.5
501.55435	0.8
596.22192	1.6
625.32123	2.8
647.65167	0.8
655.33276	100.0
656.23700	1.2
656.33691	15.0
670.97949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33016	1.2
58.49389	1.0
59.01253	100.0
69.26811	13.2
70.61115	1.2
71.01253	1.8
71.90919	1.2
76.94494	1.1
78.95775	1.3
87.92406	1.5
97.02823	1.4
103.91923	1.7
113.00816	1.3
138.28746	1.2
141.01605	70.0
171.94539	3.9
173.03157	1.9
195.38658	1.2
207.88503	1.2
275.06161	7.6
277.21585	5.8
306.00076	1.5
317.07101	1.7
339.00256	3.9
346.12729	1.2
359.21893	2.1
391.19870	3.6
535.27502	8.0
536.27216	1.6
595.30499	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01593	1.1
69.94315	3.7
71.01270	2.3
78.95803	1.7
85.65172	1.0
103.91918	0.9
114.94749	1.3
130.94269	0.8
141.01593	68.3
142.01941	1.0
159.47122	0.7
171.94652	0.9
194.25858	0.8
201.02527	0.8
213.56682	0.8
243.17366	0.8
267.29971	0.7
275.06195	4.4
277.21799	3.3
317.07593	1.3
331.47229	0.8
335.09265	1.1
337.75223	0.8
339.00229	3.3
359.22125	1.1
391.19901	2.1
535.27734	3.4
536.28406	1.2
638.09528	0.9
655.37445	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	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03328	1.0
58.00469	2.3
58.67433	0.2
59.01251	41.6
60.01585	0.7
68.99689	0.6
69.03316	2.1
70.44021	0.8
71.01253	37.4
72.01596	0.3
72.99183	2.8
73.02819	6.3
75.00752	0.8
81.03340	1.7
83.01263	4.6
85.02824	8.4
85.99950	0.4
86.03223	0.2
87.00218	0.5
87.00750	8.6
87.04401	0.3
89.02316	31.1
90.02667	0.5
90.72752	0.2
91.03891	0.6
93.03353	0.5
95.01263	3.0
97.02828	6.2
99.00765	2.4
99.04392	0.5
101.02321	29.2
102.02659	0.7
103.00246	0.6
103.03849	0.5
109.02843	0.5
111.00794	0.5
111.04403	1.1
112.01536	0.2
113.02329	14.7
114.02676	0.2
115.03933	0.6
119.03392	9.7
121.02843	0.6
123.04414	0.2
124.01579	0.4
125.02339	11.7
126.02680	0.3
127.03951	0.3
129.01845	0.4
131.03380	1.6
133.04974	1.0
135.80511	0.2
137.02345	0.2
139.03918	0.9
141.01884	0.6
141.05551	0.3
143.03392	5.7
143.04529	0.3
149.04485	1.1
157.04927	0.4
161.04457	7.2
167.03372	0.8
169.04970	0.4
171.02888	0.4
179.05540	5.8
179.07153	0.4
180.05826	0.3
185.04543	0.8
190.02214	0.3
199.06003	0.6
203.05518	0.4
213.54262	0.2
217.07118	1.0
219.05092	0.4
221.06595	2.2
235.08191	15.0
236.08469	0.4
237.22186	0.3
245.06712	0.8
253.09261	3.2
255.23264	100.0
256.23605	8.2
263.07721	1.4
269.24872	0.5
277.09335	1.0
287.07700	3.3
292.51215	0.2
297.24509	0.3
305.08755	4.0
306.09106	0.4
323.09787	1.6
352.84869	0.2
361.11429	0.9
379.12491	0.9
397.13489	82.9
398.13834	6.4
415.14563	28.9
416.14966	2.3
653.27350	0.5
653.38123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25954	0.3
55.01754	1.5
57.03321	1.2
58.00468	2.3
59.01251	40.1
60.01586	0.3
67.01743	0.4
68.61459	0.3
68.99682	0.4
69.03323	2.0
70.17656	0.5
70.18068	0.8
71.01254	36.4
72.99173	2.7
73.02818	5.7
75.00755	0.9
78.95783	0.6
81.03311	1.3
83.01257	4.0
83.01704	0.3
83.04893	0.3
85.02824	7.3
85.99947	0.4
87.00751	8.6
87.04397	0.3
89.02316	31.5
89.70531	0.2
90.02649	0.3
91.03901	1.1
95.01262	2.8
97.02831	6.5
98.03180	0.3
98.20475	0.3
99.00752	2.0
99.04398	0.4
101.02323	29.7
102.02675	0.5
103.00287	0.3
103.03884	0.3
109.02867	0.5
111.00766	0.6
111.04428	1.2
113.02328	15.1
114.02676	0.4
115.03917	0.7
119.03389	10.2
121.02859	0.6
123.00747	0.3
124.01571	0.6
125.02341	12.7
127.03902	0.4
131.03400	1.5
133.04974	0.8
137.02353	0.3
139.03923	1.1
141.01869	0.9
143.03404	5.9
149.04478	0.9
161.04465	6.5
165.12317	0.2
167.03430	0.8
169.04951	0.5
171.02885	0.3
171.58827	0.3
179.03798	0.4
179.05530	6.8
181.04997	0.3
183.29066	0.3
185.04507	0.7
199.06190	0.4
203.05527	0.5
217.07155	1.2
219.05167	0.6
221.06566	2.6
232.97424	0.3
235.08197	13.6
236.08444	0.5
245.06754	0.6
253.09270	3.3
255.23268	100.0
256.23633	7.0
263.07645	1.5
269.24869	0.9
277.09277	1.1
281.84186	0.3
287.07721	3.9
301.05069	0.3
305.08682	4.0
306.08981	0.4
321.60455	0.3
323.09882	1.8
361.11139	0.4
379.12576	0.9
397.13492	77.0
398.13757	5.2
415.14545	29.3
416.14926	2.5
461.19229	0.3
462.20514	0.3
528.90417	0.3
618.63312	0.3
653.29578	1.7
654.30090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98830	0.3
54.24881	0.2
57.14563	0.3
59.01250	1.2
59.42929	0.3
65.19341	0.3
71.01265	0.4
71.09970	0.5
78.95770	8.2
79.95607	3.8
85.02782	0.3
89.02349	0.3
96.95887	100.0
96.96800	12.3
97.95847	0.4
98.02351	6.6
111.39740	0.2
113.02332	0.3
123.00763	1.1
125.02342	1.4
149.02351	0.4
150.03143	0.8
151.00327	0.3
161.02274	0.3
163.03848	0.3
165.05426	0.8
166.99706	0.6
168.00533	0.4
169.01331	1.8
171.90424	0.3
177.01778	0.3
181.05023	0.4
182.97552	0.3
195.06432	0.3
197.08122	0.4
200.12862	0.3
217.01361	0.4
228.42023	0.3
270.98788	0.3
275.01718	0.3
285.03989	1.1
286.04312	0.9
299.99109	0.5
300.99933	1.6
339.49939	0.3
372.57974	0.4
373.58438	0.3
446.18353	0.7
475.07190	0.4
651.17279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
56.52969	0.5
57.03316	1.4
58.00450	0.5
59.01253	10.8
67.01710	0.5
69.03297	0.9
69.62037	1.3
69.62448	2.5
71.01250	35.2
72.01569	0.6
72.99168	1.6
73.02814	5.9
75.00709	0.5
81.03362	0.6
83.01262	5.3
85.02818	7.8
85.99951	0.6
87.00736	1.7
88.03913	40.7
89.02322	2.4
90.36166	0.5
95.01232	1.7
96.95891	3.1
97.02796	1.4
97.15366	0.5
99.00746	1.8
101.02318	12.2
107.01278	0.7
111.00746	1.9
113.02333	3.6
114.01823	1.2
115.00256	14.8
116.00572	0.5
123.00759	1.5
125.02323	4.5
128.03391	0.6
132.02925	8.0
140.57828	0.5
141.12199	0.5
142.77148	0.5
143.03380	1.1
145.02808	0.5
159.02850	1.0
161.02351	0.6
161.04469	1.2
163.00226	0.7
166.99718	1.2
169.01315	4.6
177.01697	0.5
182.77309	0.5
185.08220	0.5
226.18019	1.5
227.16490	3.1
229.01450	0.5
260.29916	0.6
273.00366	0.7
275.02075	0.6
297.89026	0.5
300.99805	3.1
302.00406	0.5
318.55472	0.5
333.04391	0.6
370.22137	0.9
371.20807	1.3
388.23441	4.1
389.21777	5.5
390.22406	0.6
475.45499	0.6
517.26483	0.9
534.29309	5.9
535.27527	18.3
536.27863	2.3
606.31268	1.8
632.29565	1.5
650.30237	100.0
651.30682	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	649.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	3.4
71.55594	5.2
74.78718	2.1
75.43301	2.4
95.01244	7.7
109.02773	2.2
111.00737	3.7
117.03356	2.9
123.00768	17.8
125.01439	3.6
125.02339	67.7
126.02685	2.8
129.03436	2.8
131.10281	2.4
133.02840	3.9
137.02289	3.2
139.00346	2.3
145.02818	10.2
148.01472	3.2
159.26578	2.2
160.01505	2.7
161.02402	11.6
163.00285	4.0
163.03893	3.2
165.05408	2.6
166.99757	21.3
168.00500	6.6
169.01335	100.0
170.01715	3.9
171.00757	3.7
173.02290	7.2
175.03857	3.1
177.01877	5.0
185.02322	3.4
187.00217	2.6
188.01019	2.4
189.01833	11.5
190.02493	2.6
190.99843	2.4
191.03462	4.3
199.00368	3.6
200.00972	2.8
201.01852	11.4
203.03415	4.5
205.01364	2.7
214.99916	3.1
216.00426	5.4
217.01367	18.0
219.03053	3.4
226.99826	3.4
228.00780	2.2
229.01318	8.2
231.02902	2.1
233.00847	4.9
242.99234	7.3
243.81375	2.2
244.00014	4.9
245.00905	24.6
246.01204	3.4
247.02469	11.0
257.00906	4.6
258.01614	2.5
261.00369	7.2
270.98804	19.1
271.99734	3.0
273.00363	47.7
274.00873	5.3
275.02017	7.9
288.99884	3.6
291.01398	3.8
298.98364	41.2
299.01700	2.1
299.99097	18.5
300.99896	52.1
302.00345	4.5
313.05252	3.1
316.99438	16.4
343.01047	2.6
346.03546	2.2
381.50089	2.5
389.04846	3.0
405.04633	9.1
417.04495	4.0
433.04074	23.3
434.04367	3.6
435.05341	2.6
443.02454	18.2
444.03043	3.9
445.04056	46.2
446.04428	3.9
450.53928	2.5
460.97430	3.9
461.03629	57.3
462.03854	7.0
463.05151	29.1
534.24847	2.2
569.05585	7.6
613.04279	14.9
631.05005	3.0
639.34900	2.5
642.61798	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	649.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.4
62.08227	0.3
69.03324	0.3
69.82022	0.9
69.82428	0.7
71.01247	0.5
95.01249	0.8
107.01276	0.4
109.02796	0.4
111.00748	1.0
117.03362	1.1
123.00771	2.2
125.02328	2.3
129.03282	0.4
133.02863	1.0
137.02361	0.6
139.00281	1.5
145.02861	2.2
147.04396	0.8
149.02295	0.5
151.03876	0.3
157.02995	0.6
159.00797	0.3
159.04375	0.4
161.02348	2.3
163.00255	0.7
163.03894	1.2
165.01820	0.6
166.99745	1.3
167.98622	0.3
169.01335	2.6
173.02350	1.8
175.03899	0.7
176.01122	0.4
177.01840	1.7
179.03415	0.4
182.99216	0.4
183.99968	0.3
185.02390	1.3
187.00314	0.7
189.01839	4.0
190.02325	0.5
191.03397	1.4
193.01329	0.4
200.01170	0.3
201.01888	2.0
203.03438	1.2
205.01323	2.1
207.03053	0.4
209.00807	0.9
211.02408	0.4
214.99762	0.9
216.00497	0.4
217.01358	3.9
218.01987	0.6
219.02934	1.0
221.00938	0.6
226.99794	0.8
229.01363	3.4
230.01825	0.4
230.99266	0.4
231.02991	0.9
232.00049	0.5
233.00841	1.4
234.01494	0.3
235.02411	0.5
242.99384	1.7
245.00891	4.6
246.01364	0.4
247.02464	3.2
254.99254	0.3
256.00131	0.3
257.00873	2.0
258.01584	0.7
259.99490	0.4
261.00446	2.1
261.13849	0.3
263.01944	0.5
270.98953	2.0
271.01932	0.4
273.00500	3.0
274.01068	1.0
275.01971	5.4
276.02347	0.4
283.99530	0.9
285.04077	0.4
287.98706	0.5
288.99969	1.7
290.00446	0.4
291.01331	1.6
298.98386	1.7
299.99115	2.2
300.99881	56.7
302.00253	4.5
315.98584	3.4
316.99359	100.0
317.99673	7.7
331.06680	0.7
419.05945	0.7
443.02438	0.4
445.04153	0.4
453.06772	1.1
463.05161	7.1
464.05389	1.1
480.99515	0.6
481.06207	9.4
482.06512	1.1
577.07684	0.4
594.40643	0.4
603.05664	0.6
605.07465	1.2
613.04657	2.7
621.07654	0.7
631.04761	0.7
649.06586	5.8
650.07135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13712	2.0
63.02271	6.7
65.00202	11.1
71.01268	3.6
71.55725	3.6
80.96378	2.7
83.01264	14.0
87.00744	2.5
90.79766	2.0
95.01250	6.4
96.95901	8.4
97.02866	2.2
105.57576	2.2
107.01272	24.2
109.02840	21.5
109.99977	3.4
111.00778	16.3
121.02852	4.8
123.00799	13.8
124.01572	2.0
125.02341	27.6
127.00308	1.9
133.02890	3.3
135.00757	3.9
136.98727	3.9
137.02353	10.8
139.00258	25.6
141.01830	2.7
143.04958	2.2
145.02788	3.0
147.04459	3.2
148.01509	1.9
149.02373	9.2
151.00273	65.2
152.00746	3.0
153.01814	22.6
154.98703	1.9
154.99748	12.4
159.04414	5.5
161.02365	4.1
163.00294	5.4
164.01025	2.8
165.01830	5.3
165.98962	3.2
166.99818	16.8
168.00549	5.8
169.01372	38.6
171.04425	5.4
173.02356	2.3
175.00240	2.1
175.03897	2.8
177.01801	4.8
177.99005	2.4
178.98209	3.6
178.99779	72.2
180.00168	6.9
181.01341	7.1
182.99344	2.5
183.04485	2.6
187.04008	3.2
191.03442	2.1
193.01328	14.0
194.99297	10.3
197.00871	4.5
199.03923	5.7
201.01926	3.4
203.03455	6.3
205.01312	3.6
206.99307	4.3
208.00104	2.3
209.00883	4.1
211.02306	2.3
213.01884	4.6
215.03403	10.3
217.01419	5.3
217.04991	4.2
219.02904	3.2
221.00813	3.3
222.98790	4.8
227.03448	3.4
229.01453	3.0
231.03004	6.5
233.00935	3.8
233.04550	6.6
243.03003	19.1
245.00948	3.5
245.04588	6.4
247.02414	2.5
255.03049	4.1
259.02435	11.1
261.00430	2.7
261.04025	8.1
271.02478	30.4
272.03168	7.8
287.01959	24.8
288.02319	2.4
289.03494	15.0
297.00482	6.1
299.02002	12.8
300.02734	9.5
301.00125	4.6
301.03415	29.0
302.03973	3.4
315.01447	67.1
316.02075	15.6
317.02921	29.2
318.03116	4.9
331.06970	3.7
332.01559	2.3
332.05026	4.6
333.02444	100.0
334.02911	7.5
463.08972	3.8
467.02591	2.9
479.08331	8.7
647.08710	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	647.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16935	0.2
57.47027	0.2
59.01255	0.4
63.02259	1.9
65.00196	3.0
67.01762	0.4
68.99700	0.5
71.01263	0.3
71.04195	0.6
79.01799	0.3
81.03310	0.7
83.01257	1.8
93.03310	0.3
95.01281	1.9
95.24088	0.3
96.95905	0.3
96.99203	0.4
99.00773	0.4
99.35180	0.3
103.73137	0.3
107.01275	5.1
109.02842	3.9
109.99998	1.5
111.00758	5.6
112.06156	0.3
112.12432	0.3
112.93615	1.7
113.02326	0.3
123.00791	3.3
124.01557	0.8
124.98728	0.7
125.02330	5.8
134.99774	0.3
135.00769	0.4
136.01601	0.4
136.98694	1.6
137.02344	10.0
139.00267	17.2
139.03880	0.5
140.00629	0.5
141.01840	0.8
143.04915	0.5
149.02330	0.5
150.89615	0.3
151.00275	17.0
152.00800	0.9
153.01843	7.9
154.02197	0.5
155.03394	0.6
159.04433	0.9
161.02328	0.7
163.00294	1.1
163.03864	0.4
164.01059	0.7
164.98207	1.0
165.01837	3.4
165.98967	2.2
166.99771	15.2
167.03419	1.1
168.00256	0.3
169.01340	5.4
171.04445	0.7
173.02342	0.3
173.05978	0.3
175.00269	1.4
175.03883	0.5
177.01863	1.1
178.99780	21.5
180.00273	2.2
182.09435	0.3
183.04399	0.3
185.00815	1.0
185.02321	0.5
187.03941	0.9
189.01860	0.6
190.99869	0.6
191.03458	1.0
192.00671	0.3
193.01361	5.0
194.99269	9.8
195.99654	0.4
199.03983	1.2
201.01915	0.7
203.03490	1.8
206.99318	1.0
208.00027	1.6
214.02620	0.4
215.03415	2.5
217.01352	0.7
218.02052	0.5
219.02934	1.1
227.03482	0.7
229.01366	0.9
231.03085	0.6
233.00887	0.4
241.01479	0.3
242.02118	0.7
243.02998	2.5
245.00943	0.5
245.04446	0.4
246.01675	0.4
247.02423	0.4
248.03278	0.4
259.02502	2.4
261.00412	0.4
261.03943	0.4
270.01669	0.5
271.02463	5.2
272.02969	0.4
275.01758	0.4
287.01962	6.0
287.14914	0.6
288.02438	0.8
289.03513	1.4
300.99805	0.7
313.05646	0.5
315.01471	11.1
316.02179	9.4
317.02985	18.5
318.03415	2.0
331.01007	0.5
332.01669	4.2
333.02496	100.0
334.02863	8.0
449.20251	0.4
479.08313	9.7
480.08786	1.2
495.07489	1.9
593.24030	0.3
647.08789	4.2
648.09521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89511	0.6
59.01252	1.4
60.45314	0.6
65.40117	0.5
67.00396	0.5
67.01762	0.8
70.70120	0.7
70.70467	1.1
71.01235	1.4
79.10767	0.6
79.95621	1.4
89.02285	0.5
96.95896	6.2
101.02364	0.7
107.04867	0.6
109.02847	2.9
114.40361	0.5
119.04961	0.7
123.00764	2.1
124.01546	1.6
125.02312	3.0
136.01579	1.6
137.02336	21.9
138.02927	1.0
139.00252	1.0
139.03912	1.0
145.02850	1.2
147.00812	1.4
147.04422	1.2
149.02341	1.2
150.03111	1.0
151.00253	1.2
151.03929	4.7
152.04684	0.6
153.01819	0.7
161.02348	0.9
162.03123	1.8
163.00238	0.7
163.03920	4.0
164.01045	2.1
164.04662	1.3
165.01839	100.0
166.02267	3.6
166.06206	0.7
167.03381	1.2
169.01358	3.6
173.02335	0.6
174.03062	1.6
175.03917	6.4
176.04758	1.0
177.05434	2.8
178.02650	1.1
179.03419	19.9
179.07083	1.7
180.04196	56.8
181.04802	3.8
182.05426	0.6
184.03557	0.6
184.96117	0.7
188.04735	2.0
189.05527	3.2
190.06255	7.1
191.03484	1.0
191.07033	5.6
192.04213	1.5
193.04918	4.4
194.05760	14.0
195.02872	2.3
195.06549	73.9
196.06894	2.9
198.05084	0.7
203.07091	1.3
205.08604	6.3
207.06564	7.8
208.07373	3.3
209.04573	0.6
209.08139	3.0
210.05260	11.3
214.94771	0.6
222.08928	1.0
223.06041	0.6
225.07634	51.8
226.07938	2.6
300.99814	1.0
313.11243	0.6
374.13531	1.4
375.14526	3.1
388.15488	1.3
389.16040	42.1
390.16483	5.4
405.15677	0.7
418.16391	1.4
419.17072	1.3
475.26462	0.7
478.20395	1.0
505.87381	0.7
535.15472	0.8
539.18854	0.8
567.20490	2.5
582.20996	1.5
597.23364	43.0
598.23633	7.4
645.25482	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07456	0.7
54.35394	0.6
59.01239	1.9
61.71519	0.6
63.05135	0.6
67.01772	1.0
70.38985	0.6
71.01260	2.3
71.41108	0.7
71.56468	0.7
79.95612	0.9
80.96391	0.7
82.02855	1.3
83.01292	0.8
85.02854	0.6
88.98682	0.7
89.02315	1.2
96.95884	12.6
101.02360	1.3
101.23199	0.7
101.65000	0.7
107.01265	1.1
109.02820	2.0
117.03311	0.7
121.02896	1.4
123.00759	2.0
125.02345	4.2
130.04025	0.7
136.01559	0.6
137.02345	17.3
138.03076	0.9
139.00259	1.4
145.02873	5.0
147.00732	1.2
147.04391	2.3
148.01614	1.6
149.02280	1.0
151.00278	2.2
151.03915	4.1
153.01764	0.8
153.05466	0.7
154.47003	0.6
159.04361	1.3
161.02414	1.1
162.03151	3.1
163.00221	1.0
163.03899	6.4
163.20836	0.6
164.01036	1.9
164.04634	1.1
165.01842	100.0
166.02428	5.2
166.99776	1.4
167.03455	1.4
169.01376	5.7
173.02330	1.8
174.03154	2.1
175.03947	8.1
176.04689	2.8
177.01878	1.1
177.05487	5.1
179.03418	19.8
179.07079	1.9
180.04199	62.1
181.04839	4.9
182.05325	0.8
188.04724	3.7
189.05478	4.0
190.06276	11.2
191.03421	2.4
191.07005	6.2
192.04213	3.0
192.07545	0.7
193.04991	3.9
194.05797	12.3
195.02856	2.9
195.06549	74.8
196.06946	3.4
203.07019	1.6
205.08607	8.7
206.05759	1.2
207.06555	10.0
208.07341	3.9
209.08102	5.0
209.11787	2.1
210.05258	10.1
211.05916	1.2
214.99831	0.7
217.01418	0.7
221.08167	1.1
225.07629	60.0
226.07925	2.8
227.12791	1.5
260.10443	0.6
270.99008	0.8
271.02341	1.1
273.00433	0.8
298.98419	1.0
300.99988	3.4
302.00333	0.8
316.02237	4.0
331.04581	2.3
344.12848	0.8
374.13736	1.3
375.14328	1.1
387.14374	1.4
388.15128	1.1
389.16049	48.5
390.16635	4.0
401.16147	1.5
405.15741	0.7
419.17459	1.0
450.16574	0.7
451.16907	0.9
465.18851	1.2
478.19778	1.3
483.19327	0.8
493.09930	1.8
507.16611	2.3
521.18463	0.9
537.20215	0.7
567.22321	47.2
568.22778	7.4
579.22540	1.1
597.23383	2.0
615.24518	8.0
616.24457	1.1
645.10815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.2
67.01759	1.6
69.76721	1.9
69.77112	2.6
71.01258	2.9
72.99187	1.4
79.95567	0.9
88.03922	2.6
89.02338	1.8
91.00285	0.9
95.01257	1.8
96.95894	3.5
98.20579	1.0
101.02313	1.4
107.01285	1.1
109.02821	2.5
111.00749	1.1
113.02352	1.4
121.02835	3.1
123.00771	8.0
124.01519	3.3
125.02366	5.5
131.10010	0.9
136.01598	2.1
137.02324	17.9
138.03130	1.4
139.00259	2.4
139.03896	1.7
145.02878	1.1
147.00774	2.0
148.01651	1.4
150.03070	1.9
151.00288	3.6
151.03918	1.8
152.00641	1.6
153.05473	1.7
161.02342	1.4
162.03113	1.4
163.03899	1.8
164.01033	2.5
165.01836	100.0
166.02255	4.8
166.99751	1.2
169.01367	8.5
177.05467	1.2
179.03406	19.3
180.04199	48.8
181.04895	5.0
194.05771	4.1
195.02896	2.7
195.06546	61.3
196.06972	2.4
210.05251	9.6
214.99913	1.2
224.75583	0.9
225.07628	50.9
226.07970	1.7
233.00720	1.1
245.00899	1.2
273.00266	1.2
275.01807	1.2
300.99942	4.0
313.07120	3.1
316.02155	2.0
317.02878	1.4
326.07932	1.4
327.08786	3.3
329.06567	2.0
329.10190	1.2
343.08142	1.5
343.11819	2.2
344.08847	2.4
345.09113	1.1
347.00308	1.1
358.10626	7.4
359.11346	15.9
360.11563	1.7
373.12924	18.4
374.13391	1.5
389.12384	5.7
390.13156	1.2
404.14786	9.1
405.15155	1.6
418.16400	1.2
419.17093	58.0
420.17365	7.0
493.09689	1.9
537.17542	1.2
551.19983	1.1
582.20538	1.5
597.23413	40.1
598.23596	6.2
645.21100	7.6
646.27313	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	645.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55178	0.4
53.33006	0.4
57.12449	0.4
58.16867	0.4
59.01242	1.4
59.13544	0.4
61.98701	0.5
63.32287	0.4
71.01249	1.1
71.56430	0.8
72.99198	0.5
78.95769	0.6
79.95599	0.9
89.02320	0.5
95.01233	0.7
96.95869	3.9
98.95486	0.6
107.01264	2.0
111.00783	0.5
123.00762	2.3
124.01580	0.6
125.02343	4.9
133.02959	0.5
137.02309	0.9
139.00259	0.7
151.00262	3.3
154.75667	0.4
161.02368	0.8
163.00223	0.8
166.99753	0.6
169.01349	5.2
177.01842	0.7
178.99806	1.6
181.04994	0.6
187.03979	0.6
188.01059	0.5
189.01883	0.6
199.03931	0.8
201.01945	0.4
203.03401	2.4
210.80309	0.4
214.02673	1.6
215.03438	1.0
231.02950	1.5
242.02109	1.6
243.02988	4.0
245.00789	0.7
259.02432	6.3
270.01675	2.3
270.99271	0.7
271.02432	14.8
272.02856	1.3
277.03452	0.5
287.01956	14.3
288.02417	1.5
298.98499	0.8
299.99069	0.7
300.99905	2.3
313.05664	0.5
314.97690	0.5
315.01459	23.2
316.02203	50.0
317.02762	7.0
321.02451	0.6
329.03107	1.0
330.03787	6.0
331.04553	30.2
332.04968	2.8
347.00449	1.0
444.98508	0.4
470.00180	0.5
478.07431	8.0
479.07132	0.6
493.09851	100.0
494.10193	11.1
644.27179	0.5
645.11182	10.1
645.21027	1.0
645.31030	0.9
646.11194	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.11
Annotation	3-O-(E)-Caffeoyl-1,4-di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01238	0.2
65.00191	0.2
69.03326	0.2
69.82050	1.0
96.95892	0.4
104.34003	0.2
107.01290	0.5
123.00783	0.9
124.01534	0.7
125.02313	2.2
136.01588	0.3
137.02322	1.3
139.00215	0.4
141.01759	0.2
149.02422	0.2
151.00281	2.7
152.01012	0.6
161.02211	0.2
163.00294	0.7
163.03899	0.3
163.99759	0.2
164.01062	0.7
165.01848	5.2
166.02539	0.2
166.99776	0.2
169.01312	2.2
171.04475	0.3
175.03908	0.4
178.99777	2.0
179.03401	1.1
180.04199	2.8
181.04884	0.3
187.03937	0.5
189.01750	0.3
194.05753	0.3
195.06563	3.4
199.03966	0.7
201.01863	0.2
203.03467	2.0
210.05264	0.5
211.96022	0.2
214.02644	1.5
215.03418	1.7
217.01439	0.4
225.07645	2.5
231.02960	1.6
232.03658	0.4
242.02194	2.0
243.02939	3.7
244.03514	0.2
244.59583	0.2
245.00650	0.2
259.02463	6.9
260.02847	0.6
270.01678	3.7
271.02454	19.5
272.02811	1.2
287.01956	18.2
288.02533	1.9
298.98361	0.3
299.01923	0.2
315.01440	23.5
316.02197	55.4
317.02695	6.3
327.28906	0.2
329.03024	0.8
330.03766	5.6
331.04559	41.3
332.04895	2.9
358.10553	0.2
359.11276	0.8
373.13071	1.0
389.12500	0.3
404.14832	0.6
419.17017	3.5
478.07477	8.8
479.07895	0.7
493.09836	100.0
494.10190	11.5
597.23596	2.3
644.20923	0.4
645.10870	2.5
645.20923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01579	1.1
61.87924	0.2
69.52059	2.3
72.87441	0.3
72.99178	0.4
81.82082	0.3
88.00271	0.6
88.98660	1.4
89.02329	1.9
95.01200	0.4
119.01289	0.3
125.02381	0.4
128.47688	0.3
137.02359	0.8
138.50410	0.3
165.01836	7.0
169.01320	0.6
179.03410	6.0
180.04193	6.3
181.04987	2.0
193.08690	0.3
194.05746	1.7
195.03218	0.3
195.06537	10.0
196.07310	1.9
210.05260	1.9
211.09686	3.3
225.07619	17.2
226.08022	0.9
258.37354	0.3
300.99875	0.7
331.11691	0.3
359.11237	2.2
374.13611	3.3
374.17905	0.4
375.14160	0.3
389.16061	22.1
390.16336	2.2
419.17249	0.4
437.18130	15.2
438.18390	2.0
504.02676	0.3
633.83856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95131	0.4
59.01243	2.0
61.98704	0.8
63.54238	0.4
67.01773	1.1
71.01254	1.6
71.56738	0.6
73.02824	0.5
78.95773	0.5
79.95605	0.8
89.02310	0.9
96.95889	6.7
101.02315	1.1
107.04860	0.7
109.02850	1.6
110.89812	0.7
112.93604	0.5
113.02340	0.6
114.93243	0.4
116.92794	0.5
123.00755	1.8
123.04393	0.5
125.02344	1.5
131.45583	0.4
135.04329	0.6
136.01543	0.5
136.05191	5.9
137.02341	18.8
138.02647	0.6
140.01060	0.5
149.02400	0.5
149.06015	1.9
150.03114	0.7
150.06746	0.8
151.00256	3.9
151.03929	1.3
155.74142	0.4
163.03897	1.2
164.01050	1.7
164.08357	0.7
165.01842	100.0
165.09100	3.4
166.02571	8.0
167.03314	0.7
169.01277	2.8
175.03867	0.7
176.59561	0.5
178.02641	0.5
179.03419	13.9
179.06946	0.5
180.04199	56.4
181.04953	11.4
194.05785	2.8
195.02942	2.4
195.06557	79.5
196.06880	4.0
197.11711	1.3
205.05013	1.7
209.11775	1.5
210.05273	12.7
211.05678	0.7
225.07632	73.1
226.07997	3.8
227.12915	0.6
276.14230	0.6
300.99847	1.6
387.10257	1.1
387.14706	5.6
388.14981	0.8
402.13287	0.7
403.13959	0.7
417.15579	10.1
418.15921	1.6
449.15945	0.6
481.35382	13.6
482.35675	1.0
595.21802	3.5
612.18085	0.7
625.36145	0.7
643.25885	1.4
643.37183	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95804	0.3
65.00192	0.4
67.01756	0.8
70.80898	0.9
70.81257	0.5
71.01255	0.5
73.19798	0.3
89.02285	0.3
93.03349	0.4
95.01261	0.6
96.95875	1.1
107.04910	0.6
109.02838	4.2
113.02389	0.4
115.23674	0.3
121.02846	0.9
122.03701	0.4
123.00765	1.4
123.04353	0.5
124.01584	0.5
125.02326	0.6
129.39703	0.3
131.04875	0.4
135.04413	0.9
136.01558	2.2
136.05211	1.0
137.02342	26.4
138.02817	0.8
139.00311	0.6
139.03889	0.5
147.00778	0.6
149.02361	1.0
149.05974	0.5
150.03130	2.2
151.00272	6.9
151.03920	3.9
152.00946	0.8
152.04721	2.1
153.01796	0.5
153.05481	0.4
159.04358	0.6
161.02264	0.7
162.03181	0.5
163.00282	0.5
163.03922	0.9
164.01076	2.4
165.01843	100.0
165.05493	3.6
166.02618	17.9
167.03406	2.3
169.01358	1.0
175.03885	1.7
176.04636	0.4
177.01848	1.5
177.05490	1.1
178.02632	1.0
179.03416	21.0
179.06947	1.0
180.04196	57.6
181.04973	20.6
182.05316	1.0
184.03708	0.6
187.03937	2.1
190.02655	0.6
190.06282	0.5
191.03366	0.6
192.04137	1.0
193.05025	0.9
194.05757	3.9
195.02922	2.3
195.06557	73.5
196.06889	3.2
202.06252	0.7
205.05003	4.8
206.05627	0.5
207.06616	1.0
210.05286	12.0
211.05756	1.0
220.07352	3.3
221.08101	1.1
225.07635	51.7
226.07985	2.3
226.89656	0.4
235.09630	1.0
236.94757	0.3
265.69931	0.4
265.87512	0.3
281.04266	0.4
297.03964	0.4
341.10214	0.5
344.09125	0.5
345.09671	1.1
359.11172	2.1
371.11392	0.7
372.12204	0.7
386.13538	1.1
387.10583	2.3
387.14841	6.7
388.15192	0.7
402.13217	1.5
403.13895	2.3
416.14832	0.8
417.15521	26.8
418.15881	3.4
565.19263	2.8
577.21301	0.7
580.19202	0.8
595.21851	36.9
596.22125	6.4
601.56091	0.4
643.24982	0.7
643.36823	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	643.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.4
61.98695	1.8
67.01762	2.8
67.25071	1.1
68.01046	1.1
68.99688	1.0
69.03326	1.5
71.01254	4.8
72.99183	2.0
79.01775	1.7
79.95610	2.2
81.03349	1.3
83.01257	1.1
85.02823	1.4
88.98643	1.4
89.02303	1.8
90.14182	1.0
93.03336	5.5
95.01254	7.0
96.95884	9.1
97.02807	1.4
101.02314	2.6
107.01264	6.4
108.02056	1.5
109.02775	1.3
111.00775	6.1
113.02330	1.3
116.92781	1.1
121.02871	5.7
122.99908	2.3
123.00769	36.4
123.04391	1.2
124.01567	3.4
125.01434	2.0
125.02338	35.9
125.86543	1.2
127.00269	3.2
135.79417	1.1
136.98705	3.9
137.02350	8.3
139.00261	11.8
139.03886	4.7
140.01097	7.7
141.01820	4.2
145.23495	1.0
149.02342	1.3
150.03174	1.7
151.00302	5.4
151.03934	1.7
153.01846	1.6
165.01758	1.9
165.05345	1.3
166.99757	12.7
168.00571	10.5
169.01352	30.1
170.01701	1.5
182.02094	1.2
183.02927	14.6
195.02859	2.9
195.06534	1.7
197.04465	2.0
209.11728	3.0
227.12738	1.8
265.85434	1.2
269.08102	2.1
281.08096	2.2
282.08887	1.6
283.09763	2.4
299.09244	1.7
300.09998	3.1
300.99884	3.3
301.10904	1.2
301.15546	2.0
305.06476	1.3
306.07178	1.3
314.11517	1.6
315.12390	11.3
316.02127	1.4
326.11514	1.9
327.12308	5.9
329.14029	1.9
331.08438	1.3
332.08975	1.5
341.13672	1.6
346.10889	1.4
375.10745	5.6
448.12045	1.7
451.10483	4.2
460.11600	1.3
463.10275	1.7
465.11713	1.6
466.12772	17.4
467.13208	4.2
478.12717	18.4
479.12946	3.6
480.14151	1.8
481.15030	100.0
482.15274	12.5
493.15060	35.0
494.15350	4.7
497.18188	3.8
511.16077	96.0
512.16382	13.5
621.65002	1.2
643.20343	83.0
643.28650	3.5
644.20477	14.2
644.29706	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	643.2035
Annotation	Hydroxyornoside
Peak:m/z	Relative Intensity
59.01244	4.4
61.98695	1.8
67.01762	2.8
67.25071	1.1
68.01046	1.1
68.99688	1.0
69.03326	1.5
71.01254	4.8
72.99183	2.0
79.01775	1.7
79.95610	2.2
81.03349	1.3
83.01257	1.1
85.02823	1.4
88.98643	1.4
89.02303	1.8
90.14182	1.0
93.03336	5.5
95.01254	7.0
96.95884	9.1
97.02807	1.4
101.02314	2.6
107.01264	6.4
108.02056	1.5
109.02775	1.3
111.00775	6.1
113.02330	1.3
116.92781	1.1
121.02871	5.7
122.99908	2.3
123.00769	36.4
123.04391	1.2
124.01567	3.4
125.01434	2.0
125.02338	35.9
125.86543	1.2
127.00269	3.2
135.79417	1.1
136.98705	3.9
137.02350	8.3
139.00261	11.8
139.03886	4.7
140.01097	7.7
141.01820	4.2
145.23495	1.0
149.02342	1.3
150.03174	1.7
151.00302	5.4
151.03934	1.7
153.01846	1.6
165.01758	1.9
165.05345	1.3
166.99757	12.7
168.00571	10.5
169.01352	30.1
170.01701	1.5
182.02094	1.2
183.02927	14.6
195.02859	2.9
195.06534	1.7
197.04465	2.0
209.11728	3.0
227.12738	1.8
265.85434	1.2
269.08102	2.1
281.08096	2.2
282.08887	1.6
283.09763	2.4
299.09244	1.7
300.09998	3.1
300.99884	3.3
301.10904	1.2
301.15546	2.0
305.06476	1.3
306.07178	1.3
314.11517	1.6
315.12390	11.3
316.02127	1.4
326.11514	1.9
327.12308	5.9
329.14029	1.9
331.08438	1.3
332.08975	1.5
341.13672	1.6
346.10889	1.4
375.10745	5.6
448.12045	1.7
451.10483	4.2
460.11600	1.3
463.10275	1.7
465.11713	1.6
466.12772	17.4
467.13208	4.2
478.12717	18.4
479.12946	3.6
480.14151	1.8
481.15030	100.0
482.15274	12.5
493.15060	35.0
494.15350	4.7
497.18188	3.8
511.16077	96.0
512.16382	13.5
621.65002	1.2
643.20343	83.0
643.28650	3.5
644.20477	14.2
644.29706	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	643.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08844	0.4
53.07873	0.5
53.57686	0.4
57.03320	0.5
59.01249	9.9
62.03400	0.4
67.01754	3.1
69.03331	1.5
69.44830	1.0
69.45238	3.0
71.01249	8.7
72.99178	1.7
73.02821	0.9
73.24248	0.4
79.01756	6.0
81.48093	0.5
83.01272	1.0
85.02822	2.0
88.98669	0.6
89.02314	6.1
92.27463	0.5
95.01254	6.6
96.95930	1.3
97.02840	1.6
99.00791	0.7
101.02345	1.0
108.02050	0.6
109.02827	5.3
111.00797	0.9
113.02356	0.7
123.00770	67.5
123.04378	1.1
124.01115	1.9
125.02325	2.9
136.07695	0.5
139.00267	10.1
141.01828	9.3
151.00273	51.0
152.00641	2.2
159.04449	2.0
166.99738	1.4
168.00594	0.9
169.01326	4.2
172.05237	1.1
173.06004	2.2
187.07480	1.1
189.05504	1.4
191.07158	0.6
203.07100	1.0
240.04202	0.6
241.05106	3.4
253.04985	1.0
255.06665	1.9
267.06583	0.9
268.07251	0.7
275.01740	0.5
279.06424	0.8
281.08221	1.4
283.09845	0.7
295.09726	2.6
295.57999	0.6
296.10577	0.9
298.98181	0.7
299.09210	2.0
299.99332	0.6
300.09164	0.6
300.99734	1.7
311.09341	3.3
313.10794	3.5
314.11359	0.6
325.10611	0.7
326.11563	4.2
329.10275	1.5
341.13898	4.1
343.11691	0.7
344.12646	13.6
345.13211	1.0
359.14996	24.3
360.15317	2.1
482.54749	0.5
491.19235	26.6
492.19522	2.6
643.20282	100.0
644.20642	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	643.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00796	1.4
59.01254	24.0
59.90175	1.5
67.01745	4.5
71.01256	12.1
71.40177	2.7
72.99182	2.0
73.02818	2.6
79.01752	7.0
79.95560	1.6
85.02822	3.0
88.98684	2.5
89.02322	7.7
91.86237	1.6
95.01263	9.9
96.95884	4.4
97.02789	3.1
101.02261	2.2
107.01289	1.9
109.02834	5.1
111.00726	2.0
121.02840	1.7
123.00764	81.3
125.02314	8.9
137.02303	2.6
139.00269	14.0
141.01845	11.2
151.00275	55.3
152.00581	1.6
159.04393	2.6
161.02322	1.8
166.99721	2.6
169.01352	15.2
173.02164	1.8
173.05928	2.2
175.03841	2.7
181.04988	2.4
183.02731	1.7
196.07397	2.3
201.01929	2.3
211.09627	4.4
217.01196	1.8
228.16547	1.4
229.01344	1.9
241.05054	2.3
242.99321	1.5
243.03000	1.6
267.02853	1.5
270.98801	2.3
271.02289	2.2
275.02039	2.2
281.07870	1.8
295.09598	3.5
299.09225	4.0
300.99832	8.4
311.09082	3.6
312.62296	1.4
313.10739	4.4
316.02109	4.4
317.02713	1.8
325.83255	1.6
326.11584	3.2
329.02615	2.7
341.13889	5.2
344.12662	16.9
359.14978	27.3
360.15231	2.0
363.68433	1.5
479.08188	5.5
491.08569	2.2
491.19293	21.9
643.20215	100.0
644.20587	20.3
654.24048	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.4
59.01246	2.4
69.03314	0.9
71.01240	1.5
71.04893	0.5
74.17097	0.4
79.95618	2.1
81.03365	0.6
83.04884	0.4
85.02843	1.0
87.00736	0.4
89.02298	1.3
89.47263	0.4
93.03322	1.8
95.01266	0.5
96.95871	0.4
97.02815	1.8
97.06439	0.7
98.19714	0.5
99.00758	0.4
101.02303	1.5
107.04890	0.9
111.94588	0.4
113.02359	0.9
123.00750	0.6
123.08043	0.4
125.02294	0.6
125.09599	0.8
125.81200	0.4
133.59117	0.4
137.09602	1.3
151.03940	0.5
151.07579	2.5
151.11131	0.5
152.08290	0.6
161.04411	0.8
161.09645	0.5
163.11191	1.4
165.09140	0.8
165.12717	2.5
166.63429	0.4
169.01286	0.6
170.43506	0.4
171.10141	1.2
179.14313	1.0
181.12195	0.9
183.13818	7.7
184.07385	0.4
184.14229	0.5
193.08344	1.5
193.12279	1.6
193.15800	0.4
195.04282	0.4
201.09009	0.4
205.08617	0.9
207.09976	1.9
209.11717	1.1
209.15463	1.3
211.13322	100.0
212.13666	6.2
219.09978	1.1
221.11696	0.6
223.13319	1.7
231.09952	1.2
235.08206	1.6
240.13487	0.5
244.10789	1.2
245.11464	1.2
245.18976	1.2
247.09528	0.7
247.20616	3.2
248.10220	2.0
249.11076	0.6
253.09288	4.2
262.11835	0.7
263.12509	0.4
263.16522	1.5
273.18762	0.5
283.13089	0.5
285.14624	1.2
285.17700	0.4
287.16330	1.7
291.19644	18.1
292.20047	1.3
300.99832	1.0
309.20673	29.5
310.20963	2.5
313.14218	2.4
313.17758	13.8
314.18201	1.2
331.15216	7.6
331.18848	53.7
332.15665	1.0
332.19205	4.8
347.15140	0.5
367.16125	0.4
387.25424	1.1
405.26315	0.4
429.21536	0.5
447.22287	5.0
448.22556	0.6
623.34277	0.6
641.24799	0.7
641.38147	5.5
642.38507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	1.4
57.54604	0.5
59.01231	1.0
61.98700	0.6
64.80576	0.4
69.02991	0.6
69.03323	5.4
71.01237	1.0
71.56753	0.8
83.04887	1.0
93.03298	1.0
93.06963	0.7
93.67135	0.5
95.04886	0.7
97.06464	0.6
106.06646	0.4
107.08527	1.4
109.06423	0.5
111.08026	3.5
111.69197	0.5
119.08543	9.4
125.02319	0.7
125.09606	2.0
127.07423	0.6
127.11129	2.5
135.08083	2.3
137.09613	29.6
138.09932	1.4
139.11163	2.0
147.11676	1.0
153.09087	1.0
165.12695	1.2
166.72279	0.5
169.01337	1.5
169.12321	1.2
171.10176	100.0
172.10490	4.1
179.10449	1.9
181.12170	0.6
182.49530	0.5
183.13832	2.7
185.11778	1.4
193.08392	18.9
193.12183	0.6
197.11760	16.5
198.12143	1.1
199.09789	0.6
199.13196	0.5
201.11250	7.5
207.09955	23.7
208.10345	1.1
209.07774	0.7
211.13330	34.8
212.13698	2.5
215.10538	1.8
219.09969	2.2
223.09537	0.9
225.09784	1.2
225.69792	0.5
229.19576	0.9
233.11536	23.3
234.11885	1.1
235.08307	0.6
238.80510	0.6
244.69478	0.6
245.19096	1.6
251.11421	0.8
253.09360	1.3
263.20175	0.6
273.18628	4.0
291.19653	10.7
292.19864	0.6
295.16937	0.8
300.99933	0.7
309.20700	43.5
310.20941	2.9
313.17825	13.4
314.18192	1.3
331.15469	0.8
331.18820	3.8
379.20190	1.0
393.21490	4.5
394.21805	0.7
419.23035	1.4
447.22739	2.0
506.06171	0.6
543.32654	0.6
598.38092	0.6
641.40619	27.0
642.40912	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
59.01250	1.5
59.54542	0.1
60.46585	0.1
64.70661	0.1
69.03332	0.3
70.59432	0.3
71.01257	1.3
72.99166	0.2
73.02807	0.3
82.17814	0.1
83.04865	0.2
85.02821	0.2
87.00751	0.3
89.02326	0.9
89.88132	0.1
95.01250	0.1
95.04932	0.1
96.95877	0.2
101.02321	1.4
109.06506	0.1
113.02341	0.7
119.03407	0.3
125.02229	0.1
143.03389	0.2
145.04987	0.2
155.10710	0.2
161.04424	0.6
165.12761	0.2
167.10635	0.3
167.14293	0.5
179.05560	0.2
182.53310	0.1
183.13824	6.3
184.14127	0.3
193.12285	1.7
197.11684	0.1
202.42346	0.1
211.13336	100.0
212.13676	5.7
213.59340	0.1
235.08241	1.6
253.09259	3.7
254.09550	0.2
314.48038	0.1
387.25394	0.6
405.26651	0.3
429.21365	0.7
447.22336	4.4
448.22836	0.5
623.34119	0.6
641.37177	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	641.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23573	1.0
59.01233	4.1
61.98695	1.2
71.01240	2.5
74.29749	0.9
86.08602	1.0
87.00730	1.0
89.02330	1.1
89.43533	1.1
96.95880	4.5
101.02345	1.3
110.89785	1.8
121.02831	0.9
125.02357	2.1
145.02873	2.0
161.44188	1.0
169.01213	2.2
177.01894	1.1
183.13802	5.1
188.07224	0.9
189.01857	1.3
201.01787	2.1
203.03282	1.3
204.00470	1.4
211.13332	82.5
212.13564	2.1
214.02586	1.5
216.00600	1.6
217.01474	2.0
227.03362	2.3
229.01390	7.4
230.99242	4.6
231.02858	1.3
231.99954	2.3
235.08234	1.6
240.04321	1.4
244.00082	1.5
245.00850	3.8
249.04041	1.2
253.09262	3.3
255.02954	1.6
261.04071	1.6
268.03656	2.1
269.00900	2.5
271.99625	1.6
273.00467	2.7
273.03796	1.0
277.03516	4.4
280.03574	1.2
282.01743	1.8
283.02448	1.8
285.00247	1.5
285.04074	1.6
287.01950	1.5
295.02686	1.3
296.03149	2.2
297.00293	1.5
298.00912	1.2
299.99011	1.8
300.99872	2.4
303.01282	1.3
305.03076	10.5
311.01965	2.1
313.17917	1.8
323.98972	1.4
324.99857	1.9
327.29034	1.2
338.00436	1.9
411.10861	2.8
415.20306	1.1
423.10678	2.3
425.08640	1.6
439.10083	3.3
447.22354	4.4
467.09644	5.4
543.14819	2.3
565.20612	1.8
597.23407	1.5
609.19586	3.6
641.22351	100.0
642.22632	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.7
61.98709	2.1
63.54573	0.6
64.56174	0.7
64.60300	0.7
70.14525	1.5
70.14921	1.5
71.01248	2.8
76.43793	0.8
77.32484	0.8
85.02788	0.9
87.67693	0.8
89.02300	1.1
91.44226	0.7
96.95876	4.1
101.02325	2.7
104.09601	0.7
113.02317	1.4
123.00797	1.4
125.02375	1.9
126.74020	0.7
145.02852	1.3
161.04440	1.0
169.01328	1.0
183.13850	5.6
193.09880	0.7
193.12297	2.0
201.01942	1.2
211.13336	100.0
212.13663	4.1
214.02585	1.3
217.01358	1.0
227.03481	1.6
229.01331	3.5
230.02103	0.8
230.99295	1.6
231.02965	1.0
235.08133	1.2
239.03467	1.0
240.04298	0.8
245.00835	1.4
253.09206	3.6
255.02980	1.8
269.00751	1.0
273.00552	1.3
277.03348	1.7
282.01468	1.7
283.02502	1.2
285.00571	1.0
295.02429	1.8
296.03055	0.9
300.99771	1.1
305.02988	4.9
311.01871	1.5
423.10724	1.6
425.08682	1.6
429.20975	0.9
439.10013	1.9
447.22382	5.0
448.22726	1.0
467.09525	1.6
565.20715	1.8
597.23511	1.6
609.19922	1.9
641.22308	55.2
642.22748	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	641.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20246	0.5
59.01256	4.4
65.00185	1.1
69.03304	0.6
71.00160	0.7
71.01266	4.7
71.56510	0.8
72.99187	0.8
73.02818	1.6
74.02318	1.9
79.95598	2.6
80.96375	0.6
83.01228	0.9
85.02818	1.3
89.02332	4.1
93.03339	1.1
95.01248	1.3
96.95889	7.3
97.02829	1.0
99.00762	1.9
101.02314	2.7
107.01265	2.6
109.02828	0.9
112.93626	0.8
113.02354	0.9
115.03884	0.8
116.03407	2.5
116.92748	10.5
116.97087	0.8
117.01770	0.9
119.04868	0.8
121.02804	0.7
121.06470	0.7
123.00773	2.5
124.01574	1.5
125.02325	4.0
137.02325	1.7
139.00211	0.8
149.04422	0.8
151.00272	6.9
152.01073	0.9
159.04343	1.3
163.00256	1.8
164.01065	2.0
165.05457	2.4
165.09109	2.3
166.99777	2.1
169.01375	6.0
171.04323	1.2
173.02400	0.7
178.99786	5.0
185.02492	0.8
187.03941	1.4
191.05519	0.7
199.03990	1.6
201.01735	1.3
203.03418	5.8
204.04272	0.7
213.01860	1.0
214.02606	4.5
215.03433	3.6
216.15410	0.7
217.01358	1.4
218.29984	0.6
227.03455	1.5
229.01332	1.3
231.02924	4.1
242.02156	4.6
243.02937	5.8
256.03918	0.8
259.02481	13.6
270.01660	6.4
271.02472	31.9
272.02847	2.6
285.04047	1.7
287.01959	28.1
288.02463	2.9
299.98920	1.4
300.02597	1.1
300.99905	3.3
301.03250	1.0
312.03314	0.8
315.01456	33.7
316.02219	100.0
317.02765	13.7
327.05206	1.1
327.08780	0.7
329.03094	2.0
330.03766	5.5
331.04581	54.3
332.04910	3.8
342.87726	0.8
384.60559	0.7
466.02518	0.7
475.08853	2.7
493.10083	1.6
626.12585	4.0
641.15228	92.9
641.27325	12.1
642.15387	17.6
642.26129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31061	2.1
59.01251	19.6
65.00201	3.9
71.01252	16.4
85.02843	4.0
87.00761	2.5
89.02322	9.3
89.50868	2.6
91.01763	2.4
93.03311	4.6
95.01256	4.0
96.95918	3.2
97.23383	2.1
98.19770	6.0
101.02332	6.7
107.01261	4.9
109.02852	12.0
111.00739	3.2
113.02365	2.9
119.03411	2.1
121.02831	9.2
123.00791	7.6
125.02337	8.7
131.01283	5.9
133.02832	11.6
135.00786	3.0
137.02342	7.0
139.00235	4.3
145.02881	2.5
148.01518	2.5
149.02362	19.3
151.00250	5.1
153.01865	5.4
159.04388	4.3
161.02339	7.2
163.00218	14.9
164.00972	3.1
164.73883	2.1
165.00105	3.1
165.01817	14.9
166.02637	4.2
167.03423	3.9
169.01385	7.1
173.02336	4.1
175.00296	19.0
175.03909	3.3
176.00998	3.2
177.01860	15.2
178.99747	2.7
181.01291	4.2
182.51376	2.3
187.00322	2.9
188.55443	2.4
189.01878	8.8
190.02512	2.9
190.99890	11.4
191.03473	4.7
192.00493	5.9
193.01355	11.6
199.03899	3.2
201.01813	5.0
203.03403	4.5
204.00452	3.2
205.01343	21.9
207.02888	8.9
215.03513	3.5
217.01382	9.2
219.02858	3.9
221.00864	4.3
222.01567	4.6
223.02330	4.3
229.01329	3.0
229.05084	2.6
231.02936	5.2
241.05081	3.3
242.01810	2.6
243.02963	2.9
246.40787	2.5
247.02461	13.3
251.03566	6.5
253.05113	3.5
255.02708	3.2
257.04453	4.2
261.00168	2.7
267.02908	4.0
269.04556	9.2
271.02576	3.2
275.01862	2.8
279.02960	4.1
281.04776	2.6
284.03302	4.4
285.04108	11.0
286.04602	3.1
295.02362	4.0
297.04092	12.7
298.04773	7.5
299.05377	4.8
300.99963	5.6
309.04019	9.7
313.03677	7.2
314.04034	2.9
316.02231	13.9
317.02756	4.5
323.01965	5.5
325.05783	5.1
327.05066	6.4
330.03812	5.4
341.02930	10.0
343.04590	4.7
359.04071	10.4
365.04956	2.7
380.48315	2.7
385.07755	14.2
389.05157	4.2
411.06265	3.0
417.08194	3.2
443.06396	3.9
461.07190	9.8
477.10077	6.5
489.10199	5.7
503.08249	3.8
505.12057	11.5
521.09314	29.4
522.09723	3.6
569.15320	5.8
595.12781	3.3
597.14648	7.6
608.13800	8.8
613.14203	4.8
623.12573	20.4
641.13422	100.0
642.13983	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	641.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99190	1.0
59.01254	1.3
63.02267	1.6
65.00195	3.3
71.01253	1.7
71.55981	1.4
91.05357	1.0
95.01261	4.2
96.99223	1.7
107.01273	4.7
109.02849	1.4
109.99992	11.7
111.00775	7.8
111.93327	0.9
115.00262	0.8
121.02788	1.2
123.00778	6.8
124.01562	2.6
124.98707	1.7
125.02365	5.8
125.03109	1.0
131.04903	1.1
133.02873	1.6
135.00754	2.6
136.98692	2.6
137.02319	2.7
137.99442	4.8
139.00270	19.3
140.01024	2.9
143.04910	2.1
145.02831	1.4
147.04405	1.6
149.02405	1.7
151.00269	16.7
152.01073	7.5
157.02849	1.3
159.04427	3.1
161.02327	4.8
162.03142	1.4
163.00327	4.8
163.03914	1.2
164.01044	4.4
164.98187	1.1
165.01805	2.1
165.98984	16.8
166.99834	7.3
169.01389	5.6
169.02609	1.1
171.04492	2.2
173.02347	2.7
174.03127	1.7
175.00333	1.1
175.03922	3.1
177.01892	5.1
178.99765	18.4
180.00432	2.8
185.02365	1.6
186.03162	1.1
187.03940	7.1
189.01837	4.4
190.02660	3.3
190.99777	2.9
191.03416	4.2
192.00554	2.9
193.01303	2.7
193.98488	1.3
194.99303	2.5
197.02409	1.3
198.03169	1.1
199.03946	3.1
201.01871	2.5
202.02536	2.0
203.03410	9.7
204.04131	1.5
205.01291	5.5
206.02046	1.7
206.99266	2.5
207.02885	1.7
207.99960	1.7
213.01877	3.6
214.02585	3.6
215.03415	8.6
216.04019	1.5
217.01314	5.7
217.04910	1.6
218.02135	3.5
219.02934	3.8
221.00916	1.8
227.03513	2.1
229.01353	3.9
230.02130	4.1
231.02957	9.4
231.99989	1.4
232.03651	2.8
233.00801	2.0
241.01335	2.6
242.02135	2.6
243.02954	15.4
244.03429	1.6
245.00838	4.0
246.01599	2.0
247.02473	4.0
257.00876	1.6
258.01642	6.7
259.02454	13.7
260.02914	1.8
261.04135	2.2
269.00842	2.9
271.02475	15.5
272.02661	1.4
275.01910	3.2
276.02759	1.8
285.04089	2.4
286.01224	10.6
287.01981	52.0
288.02460	8.0
289.03543	1.5
297.00488	3.2
300.99854	2.5
303.01474	9.4
304.02109	7.3
305.02686	1.9
314.00531	2.7
315.01462	70.3
316.02042	11.6
317.02942	4.9
331.00879	2.4
332.01712	92.6
333.02396	22.2
334.02692	1.1
341.06805	1.0
357.02579	1.5
479.08096	2.9
597.14441	2.7
623.12378	11.2
624.12823	1.0
641.13538	100.0
642.14008	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	641.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53717	0.1
57.72891	0.1
59.01253	1.8
63.01980	0.2
63.02271	2.2
64.99950	0.1
65.00190	1.2
68.99687	0.3
69.03319	0.1
69.47577	0.7
69.48006	0.4
71.01244	0.8
73.02799	0.2
77.07652	0.1
79.01763	0.2
81.33488	0.1
83.01257	1.6
83.36333	0.1
85.02812	0.2
87.00739	0.2
91.01741	0.3
93.03327	1.9
95.01249	0.8
96.95886	0.2
97.02809	0.3
101.02325	0.2
101.65426	0.1
107.01276	4.8
109.02818	0.6
111.00764	0.3
113.02296	0.4
114.88675	0.1
117.03341	0.2
119.01295	0.2
119.04891	0.2
121.02824	0.2
123.00764	3.3
123.04385	0.3
124.01543	0.3
125.02340	3.0
126.50568	0.1
129.03358	0.1
130.04106	0.2
131.04921	0.3
133.02812	0.2
135.00740	0.6
136.98727	0.2
137.02318	0.4
138.03090	0.1
139.00272	0.6
140.01035	0.5
141.01816	0.4
141.06992	0.2
143.04933	1.0
145.02864	0.8
145.06531	0.2
147.00764	0.2
147.04483	0.2
149.02277	0.2
151.00273	10.7
152.00598	0.2
153.01846	0.5
154.04167	0.3
155.04880	0.3
156.05737	0.1
157.06476	0.6
159.04463	1.4
161.05901	0.2
163.00270	1.8
164.01082	0.9
165.01833	0.4
166.02664	0.1
166.99759	0.2
167.03525	0.2
167.04953	0.7
168.00578	0.4
169.01332	6.4
169.06508	1.0
171.04417	0.8
173.02275	0.3
173.05980	0.4
183.04428	0.4
184.05025	0.2
185.05997	2.5
187.03929	2.2
189.05498	0.7
195.04420	0.5
196.05098	0.3
197.05972	0.6
198.03160	0.2
199.03989	0.9
201.05586	0.6
211.02509	0.2
211.04010	1.4
212.04582	0.2
213.05487	2.2
214.02618	0.3
214.05849	0.2
215.03487	0.2
223.03896	0.3
227.03482	1.9
228.03862	0.3
229.05022	9.1
230.05309	0.6
239.03458	1.1
240.04259	0.7
241.05035	1.8
243.02913	0.4
255.02988	0.9
256.03632	0.8
257.04541	8.6
258.04810	0.5
266.39288	0.2
267.02960	0.5
268.03680	0.2
271.02524	0.1
284.03293	1.2
285.04025	100.0
286.04391	6.6
300.02643	0.2
300.99866	0.2
313.05646	0.2
355.06689	18.9
356.07007	1.2
435.81363	0.1
608.46259	0.1
641.12512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
56.44586	0.7
57.03323	2.8
59.01250	22.8
61.98705	1.1
65.03828	2.3
69.73268	5.6
70.51094	0.7
70.94403	0.8
71.01253	21.6
72.99176	2.5
73.02815	7.6
77.73577	0.7
78.95776	1.2
80.96386	1.1
81.03339	2.5
81.62394	0.8
83.01253	3.6
83.04900	7.8
85.02823	9.5
85.06455	2.8
87.00742	7.9
89.02329	11.5
91.05412	1.0
93.03301	1.0
95.01257	1.9
95.04887	1.5
96.95884	3.5
97.02828	1.8
97.06467	4.6
98.19825	1.5
99.00744	2.1
101.02326	18.0
107.04886	1.2
107.08537	1.6
109.06465	2.9
111.00770	1.7
111.04375	1.5
111.08054	6.4
113.02328	10.9
115.03929	1.0
119.03394	2.5
119.04946	1.9
121.06483	0.9
123.00800	1.1
123.08036	3.0
125.02361	3.9
125.09605	15.5
126.09965	1.0
127.11144	1.0
129.01802	0.9
133.06493	0.9
135.08061	1.8
137.09604	2.4
143.03406	1.1
145.04993	4.2
161.04498	4.4
163.11111	1.5
169.01340	2.0
171.10179	63.4
172.10521	2.7
179.05518	1.7
185.11693	2.5
187.09706	0.8
187.14780	1.3
197.13228	1.1
202.13521	0.9
205.15959	5.5
207.13785	1.3
209.11774	17.2
211.13336	19.6
215.14357	13.0
216.14658	1.2
221.15411	3.7
231.13843	5.8
233.15417	44.3
234.15739	2.9
235.08212	10.8
235.13351	2.0
247.16966	2.0
249.14929	33.5
250.15271	2.2
253.09271	5.1
257.17487	1.4
265.18143	0.8
300.99649	1.3
313.25336	1.4
331.26349	3.5
341.24854	6.5
357.24359	2.2
359.25906	2.8
367.22665	4.9
375.25366	6.6
377.27267	0.9
385.23804	31.7
386.24243	3.0
393.26385	3.1
403.24860	46.0
404.25055	5.7
407.19250	2.7
421.25867	14.5
422.26114	1.7
477.28339	1.3
485.23932	3.6
495.29611	1.3
611.34253	3.0
620.64148	0.9
621.32721	100.0
622.33148	16.4
639.33777	49.8
640.33966	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	639.1354
Annotation	Patuletin 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
52.72293	0.5
58.84466	0.5
59.01255	1.5
60.16388	0.5
64.13435	0.5
65.00198	0.9
69.87588	1.9
69.88001	1.2
84.26578	0.5
85.02848	0.7
88.82865	0.5
89.02340	1.2
95.01263	0.6
96.95889	3.2
98.72467	0.5
101.02316	0.7
107.01279	1.5
110.33532	0.5
113.02352	0.6
116.92749	1.1
117.03382	0.8
118.97938	0.8
119.04917	7.6
123.00757	1.1
124.01549	0.6
125.02333	1.6
137.02335	0.8
145.02829	2.1
151.00269	5.1
152.01018	0.9
159.04489	0.6
163.00288	1.6
163.03935	3.7
164.01076	1.2
165.01839	0.8
168.38145	0.5
169.01350	3.1
175.03912	0.6
177.01944	0.6
178.99800	4.3
187.03853	1.0
192.00586	0.8
199.03922	0.9
203.03415	5.1
214.02675	2.5
215.03355	3.2
217.01410	0.7
227.03473	0.9
231.02982	2.9
242.02188	3.1
243.02963	6.5
259.02451	12.1
260.03009	0.7
270.01657	4.1
271.02448	30.1
272.02875	2.4
287.01962	29.7
288.02481	2.9
299.01733	0.7
300.99780	0.9
309.08359	0.6
312.02795	1.0
315.01443	39.9
316.02203	100.0
317.02750	13.4
327.05017	0.9
329.02933	1.8
330.03769	9.0
331.04568	64.2
332.04953	5.3
355.04559	0.6
373.05652	0.8
475.08740	3.3
478.07452	9.4
479.07861	1.5
493.09851	66.3
494.10214	8.5
624.11261	2.5
639.13507	82.6
640.02960	0.8
640.13794	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	636.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24815	0.5
53.86183	0.5
55.01746	1.4
56.62518	0.6
57.03307	1.1
59.01246	9.1
69.03299	0.8
70.04411	2.1
70.98538	0.6
71.01255	31.0
72.99185	2.8
73.02818	6.8
74.00079	0.6
83.01270	3.1
85.02827	5.7
87.00745	0.6
88.03915	33.2
89.02316	3.7
95.01241	0.9
96.95874	2.1
97.02850	0.7
99.00753	3.5
101.01692	0.7
101.02323	9.6
109.85846	0.5
111.00755	1.8
113.02306	4.9
115.00262	13.7
125.02319	2.1
126.42389	0.6
131.03287	0.5
132.02919	6.5
157.30745	0.6
159.02898	0.9
161.04419	0.8
166.99623	0.5
169.01399	0.6
202.89735	0.5
226.17976	1.9
227.16466	4.3
237.56630	0.6
371.20642	1.3
388.23373	5.2
389.21790	7.4
412.02103	0.6
503.24857	1.1
520.27600	7.6
521.26050	19.7
522.26355	2.4
526.31934	0.6
592.29974	2.5
618.27844	2.9
619.27783	0.8
636.28699	100.0
637.29016	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03317	0.7
58.00455	0.7
59.01255	9.7
69.66428	1.4
69.66838	1.4
71.01254	29.8
72.01579	0.7
72.47473	0.4
72.99181	1.1
73.02811	4.0
83.01247	2.6
85.02832	3.5
87.00750	1.7
88.03916	34.3
89.02311	5.4
93.54960	0.5
95.01235	0.8
96.95871	1.6
97.02845	0.9
99.00784	1.1
101.02323	8.4
111.00744	2.0
113.02325	3.6
114.01839	0.7
115.00253	13.2
123.00793	0.5
125.02319	1.6
131.03398	2.5
132.02916	7.4
149.04486	0.6
159.02956	0.8
161.04446	1.4
169.01340	0.7
185.75204	0.6
191.05553	0.8
226.18106	1.0
227.16479	3.4
302.00116	0.6
332.01129	0.5
371.20718	1.4
387.76440	0.5
388.23425	4.5
389.21671	5.2
440.14026	0.5
503.24667	0.8
520.27625	6.9
521.26074	19.7
521.76056	0.5
522.26123	2.3
592.29712	2.3
618.27820	1.9
636.28705	100.0
637.08398	0.9
637.29126	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	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
62.45829	0.8
72.51965	1.0
78.95770	8.2
96.96796	0.9
98.19704	1.6
119.54292	0.9
123.12078	1.0
139.85719	1.0
152.99469	4.2
165.89021	0.9
171.10155	11.1
191.01151	1.0
201.15076	1.1
253.21700	2.7
255.23236	2.2
328.10968	1.2
399.14169	9.3
415.15283	2.0
419.18549	1.5
431.18735	4.0
433.20398	2.0
445.16360	2.2
451.53958	1.0
458.17554	2.1
459.18884	2.1
460.14764	1.0
462.20328	1.2
473.14810	1.5
473.20944	4.4
474.16644	10.0
475.17532	3.7
487.17883	1.8
488.18451	5.6
489.19016	5.6
490.20071	6.9
505.22400	7.1
506.21768	1.2
506.89297	1.0
529.18878	2.0
549.21069	6.4
559.23309	1.1
575.22888	14.0
576.23541	12.1
577.23773	2.0
603.22510	2.1
635.25110	100.0
635.34650	4.3
636.25439	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22683	0.9
67.86279	1.1
69.03307	1.8
71.55827	1.1
71.56222	1.1
72.99169	0.9
73.23969	0.9
83.01228	0.9
84.51037	0.9
85.02824	1.7
88.55247	0.9
94.71684	0.9
95.01241	1.8
97.02790	1.6
101.02320	1.6
103.46056	0.8
107.01271	7.9
111.00741	1.0
113.02314	2.5
123.00806	6.4
125.02332	82.7
126.02659	2.1
139.00258	2.4
140.01033	2.6
151.00270	3.4
168.00604	4.7
169.01331	100.0
170.01672	3.4
193.01306	3.8
211.02444	6.8
235.11224	1.1
241.03532	1.7
271.04477	4.4
295.04517	2.9
313.05493	6.0
331.06854	1.3
423.05789	1.3
465.06552	8.4
466.06964	1.1
483.07837	17.7
484.08511	1.4
616.35205	1.2
635.08826	45.6
636.09418	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	635.0891
Annotation	Gallotannin
Peak:m/z	Relative Intensity
53.74836	0.8
66.80777	0.8
68.26927	0.9
69.03325	1.5
69.91874	2.6
69.92287	2.1
71.01252	1.8
83.01234	0.9
85.02813	1.3
95.01212	1.0
97.02808	2.7
101.02325	1.7
107.01278	5.8
111.00775	1.7
113.02345	1.3
119.56072	0.8
123.00778	5.1
124.01554	1.7
125.02332	74.6
126.02663	1.8
139.00235	1.9
140.01016	2.2
151.00308	2.2
166.99751	1.6
168.00525	5.0
169.01337	100.0
169.33351	1.0
170.01714	2.8
193.01314	3.9
207.02991	1.3
211.02408	9.7
218.89793	0.9
235.02351	1.1
241.03664	0.9
271.04510	7.5
295.04700	5.8
297.38708	1.0
300.99915	5.8
302.00208	4.0
303.00433	3.2
313.05606	6.9
333.52570	0.9
390.73291	1.3
423.05502	4.0
432.90894	1.0
465.06747	10.5
466.07111	1.2
483.07733	12.5
635.08752	74.7
636.09021	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	635.089
Annotation	Gallotannin
Peak:m/z	Relative Intensity
53.05088	0.4
59.01255	0.7
63.75288	0.5
67.01758	0.9
69.03334	1.1
70.94025	1.1
71.01237	2.3
72.99178	1.1
73.02841	0.5
79.01772	0.8
81.03345	0.6
83.01265	1.2
85.02859	0.9
87.00737	0.6
95.01247	2.2
97.02846	2.0
101.02355	1.6
101.03210	0.4
107.01277	6.4
109.02826	0.7
110.00021	0.5
111.00751	2.2
113.02343	1.7
119.04986	0.5
121.02827	0.5
123.00769	9.0
123.01646	0.7
124.01596	2.7
125.02339	72.6
126.02670	2.2
127.00205	1.1
129.84073	0.5
136.98705	1.5
137.02370	1.8
139.00246	2.8
139.03886	0.7
140.01088	3.3
141.01834	0.9
143.03477	0.7
147.04427	1.1
149.02327	1.3
151.00285	4.7
153.01793	0.8
161.02342	0.7
163.03864	0.6
165.01862	1.3
165.05399	0.6
166.99777	2.2
167.03426	2.3
168.00558	9.1
169.01340	100.0
170.01718	3.1
173.02412	0.5
177.01868	0.8
179.03441	1.5
181.01332	2.1
183.02893	1.1
191.03430	1.9
192.04150	0.5
193.01378	8.7
205.01381	1.2
207.02963	1.3
211.02431	22.5
212.02779	0.8
221.04521	7.2
223.02422	1.2
235.02437	1.9
241.03537	1.9
253.03572	1.4
267.05170	0.6
271.04608	13.3
272.04822	0.9
295.04556	2.7
299.99283	0.5
300.99750	1.1
313.05655	10.9
314.05850	0.9
423.05695	9.5
465.06729	6.8
466.07074	0.8
483.07751	7.0
484.08057	0.6
532.51819	0.5
617.07813	1.4
635.08868	95.0
636.09094	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	635.0887
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.60422	0.6
69.03324	1.6
69.45071	3.7
71.01258	2.4
81.03322	0.9
85.02824	1.3
86.47146	0.6
95.01275	2.3
97.02831	2.0
101.02306	0.7
101.30785	0.5
107.01257	7.2
111.00784	1.0
113.02339	1.1
117.61864	0.6
123.00773	6.2
124.01539	1.0
124.38169	0.5
125.02341	77.6
126.02685	2.3
136.98676	0.7
137.02330	1.7
139.00281	2.3
140.01064	2.9
141.01813	1.0
151.00278	3.9
158.05058	0.5
165.01868	0.7
166.99774	1.1
167.03458	1.0
168.00566	5.2
169.01344	100.0
170.01695	3.8
181.01341	1.9
191.03473	0.9
193.01332	5.9
211.02419	12.4
212.02840	0.7
228.83975	0.5
235.02386	1.3
241.03494	1.8
251.80455	0.6
253.03639	0.9
271.04535	4.8
273.81421	0.5
295.04596	3.8
299.98624	0.8
300.99841	1.6
313.05637	4.6
384.19598	0.6
423.05838	3.1
455.32028	0.6
465.06650	6.3
483.07816	7.4
609.64264	0.6
612.59528	0.6
635.08850	35.0
636.09259	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	635.0884
Annotation	Gallotannin
Peak:m/z	Relative Intensity
59.01241	0.8
65.76994	0.8
67.01756	1.2
69.03314	2.0
71.01250	2.1
71.25982	0.7
71.55239	0.7
73.02809	1.0
83.01263	1.5
85.02815	2.1
86.68446	0.7
87.00748	0.7
95.01263	2.6
96.42686	0.7
97.02815	1.8
101.02312	2.8
107.01256	8.8
111.00768	1.8
113.02350	3.3
116.68945	0.8
123.00759	6.6
124.01514	1.3
125.02331	81.9
126.02673	2.1
127.00182	0.8
127.76236	0.7
137.02325	0.9
139.00261	2.5
140.01051	1.9
143.03354	1.0
151.00259	2.6
166.99739	1.4
168.00571	3.9
169.01332	100.0
170.01660	3.7
191.03462	0.8
193.01326	2.4
211.02480	7.3
223.02515	0.9
241.03609	1.1
271.04642	3.9
277.39941	0.7
295.04556	4.3
300.99808	0.9
302.00266	1.1
313.05652	7.5
321.02298	0.9
331.06714	2.4
423.05585	2.1
465.06635	8.6
483.07773	24.0
484.08157	2.1
586.88312	0.9
635.08868	54.6
636.09131	7.9
636.98401	0.8
641.95148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76617	0.3
56.13713	0.3
57.03311	0.4
59.01247	3.0
61.79720	0.3
61.98684	0.6
67.01749	0.6
68.57593	0.3
68.99693	0.4
69.03326	0.6
70.96992	0.8
71.01237	2.3
72.99176	0.9
73.02797	0.4
75.29070	0.3
79.01738	0.9
81.03298	0.4
83.01258	0.8
85.02841	0.6
89.02303	1.6
95.01257	1.4
96.95884	1.6
97.02826	0.5
99.00780	0.5
101.02319	1.6
107.01276	3.5
110.53705	0.3
111.00774	2.1
113.02329	1.0
119.03377	0.6
121.02769	0.4
123.00763	9.7
124.01553	1.3
125.02332	20.1
126.02728	0.5
127.00194	1.1
136.98706	1.1
137.02362	0.5
139.00266	3.3
139.03894	0.6
140.01047	3.7
141.01823	1.2
146.17213	0.3
151.00281	6.1
151.11174	2.9
165.01765	0.6
166.99706	0.9
167.03430	1.0
168.00551	9.0
168.61848	0.3
169.01334	31.6
170.01688	1.0
171.10178	0.6
191.03453	0.4
193.01320	0.6
211.02414	32.3
212.02745	1.5
241.03511	1.2
271.04572	39.7
272.04901	2.7
275.01746	0.4
291.19562	1.0
291.79028	0.3
300.99835	2.2
309.20618	1.2
313.05829	1.0
331.06616	1.5
378.10065	0.4
407.75339	0.4
413.11084	2.0
465.17798	0.4
483.76443	0.4
594.29388	0.3
633.29102	100.0
634.29468	15.2
634.37372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37388	0.2
58.80901	0.3
59.01256	0.8
68.57842	0.3
71.01265	0.6
71.10430	0.7
71.50947	0.3
78.95769	0.4
89.02312	0.4
93.03329	2.7
95.01268	0.8
95.04927	0.3
96.95887	5.9
96.96860	0.4
97.02811	0.4
101.02325	0.4
105.03384	0.3
108.02053	0.5
109.02837	0.6
121.02840	4.2
122.03629	12.9
123.00792	1.0
123.04459	0.5
124.01634	0.3
125.02351	1.7
133.02881	1.3
135.04466	0.6
136.01566	1.7
137.02342	3.3
147.07500	0.3
149.02353	19.4
150.03136	84.7
151.00290	0.5
151.03470	3.2
153.05473	1.3
157.46646	0.3
161.02414	0.5
162.03191	0.4
163.03938	0.4
164.01125	0.5
164.04681	4.0
165.01857	13.1
165.05489	92.7
166.02406	0.5
166.05824	4.3
166.99767	0.7
168.00549	0.3
169.01328	1.6
170.01697	0.4
177.01921	0.6
179.03418	5.2
179.04892	0.4
179.07085	0.5
180.04199	15.8
181.04988	23.5
182.05676	2.1
194.05826	1.0
195.06561	100.0
196.07281	18.8
197.08070	2.8
203.03365	0.3
205.05028	0.5
206.52223	0.3
210.05222	1.6
211.09700	16.3
212.09973	0.7
225.07626	11.4
226.07872	0.6
231.02591	0.4
270.99036	0.4
273.00369	0.9
275.02075	0.5
299.99170	0.4
300.09964	0.4
300.99844	2.6
315.01480	0.6
317.02768	0.5
319.03754	0.3
359.11404	2.6
373.12936	5.3
374.13690	2.3
389.16028	12.6
390.16312	1.6
421.14929	3.2
422.15491	0.5
437.17960	1.2
447.05560	0.7
448.05850	1.2
449.06467	1.8
585.23291	2.3
633.06989	1.2
633.25391	0.5
633.34460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76517	0.5
59.01273	0.7
61.98692	0.5
65.32162	0.5
67.01768	0.6
69.73959	0.9
69.74362	2.0
71.01249	1.1
83.11334	0.5
88.59794	0.6
93.03341	3.6
95.01267	1.9
95.04932	0.9
96.95892	3.9
97.02856	0.5
107.04911	0.6
108.02129	0.9
109.02836	1.4
111.00791	0.6
121.02840	6.4
122.03632	12.0
123.00805	1.3
123.04443	1.1
124.01564	0.6
125.02337	2.4
130.56320	0.6
133.02856	2.1
134.03586	0.7
135.04449	0.6
136.01547	1.8
137.02351	5.0
137.06050	0.5
138.03242	0.6
147.00763	0.6
147.04375	1.0
148.01546	0.7
149.02344	34.4
149.05998	2.1
150.03128	77.5
151.00287	0.7
151.03908	5.6
153.05457	4.0
162.03136	0.7
163.03943	1.2
164.00981	0.6
164.04710	10.4
165.01846	15.1
165.05479	86.8
166.02563	1.1
166.05824	3.4
167.03432	0.5
169.01361	1.5
173.02217	0.5
177.01868	1.0
177.05486	1.4
179.03419	10.0
179.07034	2.0
180.04189	15.1
181.04985	56.9
182.05714	4.8
188.46121	0.5
191.03394	0.5
193.08658	0.5
194.05757	2.5
195.06558	100.0
196.07320	42.9
197.07991	5.1
201.87325	0.5
205.05035	2.5
210.05270	1.9
211.09695	43.7
212.09973	2.5
225.07617	11.5
226.07961	1.0
257.00995	0.6
273.00409	1.3
282.05408	0.6
297.07742	0.7
299.09274	1.4
300.02689	0.8
300.09937	1.1
300.99884	5.3
302.00290	0.5
313.07162	0.7
328.09631	0.9
343.11835	5.0
359.11292	3.1
373.12894	51.5
374.13455	8.2
389.16068	15.0
390.16196	1.0
396.26434	0.5
403.13904	1.0
421.15021	12.9
421.20685	0.7
422.15228	1.4
425.86877	0.6
437.18018	1.9
477.09821	0.7
510.24936	0.6
585.14349	1.1
585.23370	13.9
586.23816	2.2
633.06885	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	633.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43767	0.8
61.30270	0.9
64.52396	0.9
71.10085	1.9
75.72134	0.8
107.01261	1.9
112.40874	0.8
125.02364	5.0
135.02611	0.8
145.02850	1.8
147.37651	0.8
150.81023	0.8
163.03911	0.9
166.64661	0.8
169.01318	5.6
169.02591	0.9
173.02345	1.9
185.02370	3.8
201.01842	3.9
203.03473	1.2
229.01382	7.0
245.00815	2.7
257.00931	2.7
258.01389	1.2
273.00287	2.2
275.02051	4.7
283.99655	2.5
299.99014	5.0
300.99887	100.0
302.00256	7.1
331.06738	1.4
633.07343	17.1
634.07538	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	633.0728
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
50.59156	0.6
51.05132	0.6
54.30679	0.6
69.69577	3.3
69.69986	1.5
79.59254	0.7
89.42081	0.6
123.00742	1.2
125.02384	1.4
129.03307	0.7
145.02841	0.9
169.01350	1.6
173.02339	1.2
175.03860	1.2
185.02478	1.6
189.01819	1.0
191.03453	0.9
193.71909	0.8
201.01842	1.6
203.03371	2.3
217.01430	1.4
229.01393	4.4
231.02998	1.8
240.14433	0.7
244.88177	0.8
245.00851	4.0
246.01653	0.6
247.02455	0.8
249.03923	1.5
257.00830	3.4
258.01584	1.2
273.00369	4.9
274.01132	2.7
275.01959	13.8
276.02328	0.9
283.99451	1.5
290.00534	0.7
291.01517	0.8
298.79559	0.7
299.99118	1.8
300.99896	78.9
302.00208	5.3
329.02856	1.4
419.06073	2.1
437.07462	1.0
463.05130	10.5
464.05380	1.1
615.04694	0.7
633.07300	100.0
634.07599	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	631.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55487	0.4
55.30831	0.3
59.01230	0.7
61.98692	0.4
63.02252	0.8
65.00183	1.5
69.36808	3.2
71.01246	1.1
72.99169	0.4
73.47546	0.3
83.01262	0.8
89.02296	0.4
96.95887	1.5
101.02359	0.5
107.01257	2.7
109.02840	1.3
110.74039	0.4
111.00751	0.4
121.02821	0.8
123.00760	1.2
124.01551	0.6
125.02322	3.1
136.01511	0.4
137.02333	3.7
139.00264	0.8
140.01131	0.4
145.02837	0.5
146.03616	0.9
149.02315	0.6
150.03102	0.4
151.00270	8.8
152.01076	0.5
153.01778	0.5
159.04405	0.7
161.02364	0.9
163.00293	1.3
164.01021	0.7
165.01857	0.8
166.99744	1.1
168.00467	0.6
169.01328	3.5
173.02315	0.6
174.03128	3.0
175.03966	0.4
177.01851	1.5
178.99788	7.8
181.04941	0.4
183.02953	2.8
186.03079	1.1
187.03891	1.1
189.01805	0.8
190.02672	0.6
192.00534	0.9
193.01318	0.7
199.04042	0.5
201.01862	1.2
202.02644	3.7
202.78426	0.4
203.03415	2.3
205.01483	0.4
209.04520	0.6
213.01842	0.9
214.02536	0.7
214.99986	0.4
215.03416	2.2
216.00616	0.4
217.01305	1.0
227.03442	0.4
229.01357	0.7
230.02167	7.9
231.02831	1.8
241.01329	0.9
243.02888	1.7
245.00818	0.6
257.00931	0.4
258.01672	10.5
259.02432	5.6
260.02893	0.5
269.00793	0.4
271.02441	4.7
272.03143	0.4
273.00589	0.8
274.01212	0.5
275.02011	0.5
280.85721	0.4
286.01175	17.4
287.01950	16.4
288.02249	1.4
297.00461	0.4
299.01883	1.0
299.98999	0.4
301.00168	2.0
301.03308	0.5
314.00659	5.2
315.01447	26.6
316.02094	5.5
317.02966	18.5
318.03271	1.1
328.02200	0.6
329.02960	0.9
419.06183	11.4
420.06567	1.3
447.05655	100.0
448.06079	11.8
449.07181	17.1
450.07498	1.8
545.42212	0.4
605.62238	0.4
631.09674	0.4
631.22729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0938
Annotation	Myricetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
63.02027	0.3
63.02271	4.1
65.00192	6.9
74.42822	0.4
81.03329	0.6
83.01255	4.8
83.53977	0.4
89.47202	0.5
90.81747	0.5
98.19730	1.0
107.01266	14.2
108.01599	0.6
109.02825	11.3
123.00766	0.9
124.01550	0.7
125.02377	2.7
127.90210	0.5
137.02339	27.0
138.02652	1.1
151.00269	41.2
152.00601	1.1
163.00258	1.8
164.01042	0.9
165.01823	2.5
169.01353	4.1
178.99773	24.2
180.00067	0.9
190.99805	0.8
191.03479	0.6
192.00533	1.8
193.01280	1.3
203.03314	0.5
214.02623	0.6
227.03442	1.7
229.29715	0.5
243.02927	1.3
255.02766	0.5
258.03937	0.4
261.03983	0.6
271.02478	2.9
287.01947	0.9
299.02026	0.5
309.71835	0.4
316.02252	2.7
317.02991	100.0
318.03354	7.9
318.86401	0.5
392.66751	0.4
411.75751	0.4
479.08661	1.3
546.48590	0.5
631.09479	4.0
632.09729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85347	1.3
57.48026	1.7
65.00190	2.5
67.01749	1.4
68.66433	1.5
69.03325	2.6
71.01230	2.7
71.08856	2.5
71.09194	1.8
79.01797	2.2
95.01269	11.1
97.02796	2.5
117.03333	4.5
123.00768	19.8
125.02339	70.7
126.02701	2.2
129.03299	1.8
131.01317	2.7
132.02112	2.5
133.02831	5.7
139.00261	2.1
145.02840	13.4
147.04424	4.0
150.90077	1.6
157.02892	2.6
160.01582	2.7
161.02373	15.9
162.02866	1.8
163.00281	3.8
163.03911	7.9
165.01859	1.8
166.99786	20.0
169.01340	100.0
170.01715	3.6
171.00749	2.9
172.01567	2.8
173.02354	11.4
175.03922	3.4
177.01784	2.6
179.03497	2.7
185.02365	3.3
187.00241	6.4
189.01881	17.6
190.99733	4.2
191.03401	6.6
199.00299	4.6
200.01067	3.8
201.01860	15.3
202.99818	1.7
203.03374	4.4
205.01457	2.3
213.02048	2.0
214.99757	7.9
215.03255	2.1
216.00587	5.1
217.01360	26.7
219.02992	2.2
226.99799	8.7
228.00497	2.5
229.01334	13.7
230.02080	3.4
231.02946	5.0
232.00014	1.9
233.00879	3.3
242.99359	9.1
243.02861	3.8
243.99991	4.5
245.00900	29.8
246.01317	2.1
247.02478	12.0
254.99327	3.1
255.02864	1.9
257.00854	5.5
258.01599	2.1
259.99649	2.8
261.00415	5.8
265.81061	1.6
270.98849	23.3
271.99445	4.6
273.00409	47.9
274.00888	7.2
275.01968	9.2
283.99658	2.4
285.00403	2.0
288.99805	3.6
298.98300	43.9
299.99048	20.6
300.99884	73.0
302.00226	3.6
315.01602	1.6
316.99472	5.2
343.00909	3.5
377.05200	4.2
389.05197	5.2
405.04504	15.6
417.04944	9.1
433.04089	22.9
434.04611	3.5
443.02576	19.3
444.03131	2.9
445.04153	33.7
446.04599	2.5
461.03622	47.5
462.03909	3.7
463.05240	21.5
464.05499	2.1
569.05719	5.4
603.06250	3.1
613.04718	14.6
614.04529	2.8
632.06464	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	631.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45172	0.7
52.90816	0.7
65.00190	1.6
67.01753	2.3
69.03341	4.1
71.01275	1.7
71.20235	1.0
71.20559	1.3
79.01759	1.6
81.03313	1.3
83.01270	1.5
85.02832	1.2
87.00752	0.7
89.03837	1.1
91.01739	0.7
95.00662	0.6
95.01250	11.8
97.02821	3.6
105.03361	1.4
105.35512	0.7
107.01272	1.6
108.02014	0.8
109.02865	0.7
111.00773	0.9
117.03344	5.6
119.01276	1.4
119.04906	1.9
121.02792	1.1
123.00773	25.6
123.04373	1.0
123.37230	0.7
124.01561	2.2
125.02337	94.5
126.02664	2.3
129.03369	1.6
131.01270	1.6
132.02072	2.2
133.02849	5.8
135.04468	1.0
137.02327	1.3
139.00291	1.0
141.01805	1.1
143.01335	1.8
143.03333	0.8
144.02049	0.9
145.02864	13.5
147.00806	1.4
147.04463	4.3
148.01561	2.2
148.49387	0.8
149.02335	1.9
151.00232	1.1
157.02881	2.9
159.00792	2.0
159.04424	2.1
160.01540	2.8
161.02364	21.3
163.00284	5.7
163.03897	5.4
164.01057	1.3
165.01785	1.5
165.05801	0.9
166.99765	14.0
168.00487	1.7
169.01340	100.0
170.01700	3.3
171.00743	4.8
171.04300	0.8
172.01530	3.0
173.02351	14.1
174.03130	1.3
175.00331	1.1
175.03879	4.6
176.00992	2.1
177.01830	4.1
178.99731	0.8
179.03418	4.0
185.02383	4.9
187.00284	6.4
187.03883	1.5
188.01091	3.1
189.01866	22.6
190.02551	3.8
190.99797	2.5
191.03410	5.6
192.00528	1.2
199.00288	6.0
199.03929	1.6
200.01070	4.5
201.01874	18.1
201.05460	0.8
202.02295	1.2
202.99913	0.9
203.03426	4.5
205.01352	3.7
207.02980	1.3
209.00848	1.2
213.01927	2.5
213.05411	1.0
214.02655	1.3
214.99815	8.8
215.03485	3.1
216.00571	6.0
216.04225	0.9
217.01382	28.5
218.01974	3.0
218.99272	0.8
219.02927	2.3
226.99823	9.1
227.03461	2.9
228.00540	2.8
229.01375	17.1
229.04971	0.9
230.02020	3.1
230.99294	1.3
231.02922	3.5
231.99960	3.6
233.00896	4.5
233.97931	0.9
235.02339	1.4
241.01390	1.2
241.04982	1.4
242.02098	1.3
242.99321	12.8
243.03018	1.8
244.00069	5.9
245.00880	34.4
246.01390	2.8
247.02457	13.1
247.04895	0.7
254.02245	1.2
254.99353	4.7
255.02899	1.9
255.99944	1.3
257.00955	7.8
258.01569	2.5
259.02408	1.0
259.99628	3.4
261.00385	7.6
263.02164	1.1
269.00937	2.2
269.04459	1.1
270.98846	31.6
271.02042	1.7
271.99490	5.6
273.00412	47.1
274.00909	4.7
275.01981	10.7
283.02579	0.8
283.99600	2.6
284.02954	0.8
285.00388	2.7
286.98349	1.7
287.01984	0.8
288.99741	2.2
291.01483	1.5
298.98328	34.6
299.99066	18.3
300.99893	67.3
302.00201	4.8
312.99927	2.1
313.05716	1.3
315.01544	3.4
316.99384	3.8
333.06430	0.8
343.01028	2.5
345.06107	0.7
361.05457	1.8
377.05078	4.7
378.05493	0.9
389.05188	2.9
405.04663	11.6
406.04968	1.5
417.04822	4.7
433.04095	17.2
434.04810	1.3
443.02594	11.1
444.02823	2.0
445.04092	19.5
446.04367	1.7
461.03622	29.9
462.04099	3.0
463.05139	13.8
464.05582	2.4
569.05804	3.6
570.06451	1.1
613.04919	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	629.3541
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
55.01756	1.5
57.03310	2.9
58.00466	2.5
59.01247	42.9
61.98700	6.7
71.01251	55.3
71.56870	1.1
71.57235	1.1
72.99171	5.0
73.02811	9.7
74.56995	1.1
75.97056	1.0
79.63969	1.1
83.01251	7.8
85.02818	20.5
87.00748	2.2
89.02313	27.8
95.01260	5.2
96.95889	9.4
99.00742	5.7
101.02323	32.5
107.01268	4.0
111.00726	2.7
113.02329	19.9
119.03387	11.6
123.00786	8.6
125.02344	13.6
129.01831	3.2
131.03354	1.9
143.03384	3.3
149.04390	1.3
159.02863	1.5
161.04454	7.6
163.00290	2.6
163.03969	1.2
166.99774	6.5
168.00534	3.8
169.01324	20.6
170.01646	1.2
177.01826	1.7
179.05560	3.2
187.00305	2.2
201.01877	1.7
211.13396	1.4
214.99944	3.0
216.00533	1.2
229.01372	1.7
242.99384	1.3
245.00832	2.1
247.02512	1.5
257.00952	1.3
259.99557	1.9
272.46631	1.1
273.00500	1.5
275.02090	5.9
299.99048	3.1
300.99939	10.5
302.00198	1.8
341.95929	1.2
353.52728	1.4
429.52905	1.5
438.53503	2.8
451.02179	2.4
465.52451	1.6
467.30136	16.0
495.93225	1.5
629.35425	100.0
630.35687	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	629.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
61.98704	3.2
70.19930	1.6
71.01251	1.8
72.99197	0.4
73.02831	0.4
75.00701	0.3
78.95773	3.6
79.95612	2.5
85.02805	0.9
87.00765	0.4
89.02327	0.6
95.01247	0.7
96.95890	100.0
96.96778	5.5
98.02380	0.7
98.20505	0.4
101.02339	0.8
107.01250	1.0
109.02828	0.4
111.00782	0.5
112.93645	0.3
113.02305	0.6
123.00780	2.1
124.01620	0.4
125.02325	3.7
126.03822	0.4
139.00284	0.8
141.90842	0.3
151.00272	0.5
151.07561	0.6
166.99814	0.6
168.00565	1.0
169.01337	5.0
191.03494	0.4
211.13113	0.4
229.01578	0.4
230.05524	0.3
299.99075	0.8
300.99936	2.5
406.27921	0.3
489.53995	0.3
495.78162	0.3
531.28229	0.7
569.23120	0.9
599.96448	0.4
629.31012	6.9
629.39191	1.4
630.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.4
61.98703	1.1
70.68613	2.6
70.68960	1.5
71.01255	2.5
79.95598	1.2
87.45918	1.0
89.77962	0.9
95.01302	1.0
96.95869	2.5
101.02312	1.4
112.93589	1.2
123.00764	1.6
125.02351	4.1
137.02321	3.0
150.76421	0.9
163.00285	4.3
165.01796	4.8
166.99741	1.1
169.01309	4.2
175.03893	2.0
177.01746	1.4
187.00302	1.8
187.09709	1.1
188.04724	1.3
206.99228	1.3
208.00073	7.1
209.00861	6.4
215.03477	2.7
223.02486	2.9
232.00000	2.0
233.00938	1.4
247.02425	5.7
258.98828	6.6
259.99347	1.6
261.00345	1.8
271.02414	9.9
271.13318	2.3
275.01791	1.0
281.08014	1.0
285.04022	1.8
286.98386	9.9
298.04916	2.4
299.12808	5.9
304.02255	1.1
309.11392	1.7
311.12985	1.2
319.00980	16.2
320.01639	1.1
325.10727	2.4
327.08713	2.6
330.03613	1.3
337.10825	1.5
343.11850	11.2
344.12030	1.6
355.11932	1.7
371.11124	2.4
383.11392	14.5
384.11826	1.6
389.19586	2.5
399.10486	2.0
401.12195	3.5
417.13275	1.0
427.10373	11.6
445.11511	2.0
459.12979	100.0
460.13275	11.6
522.98163	1.1
553.21130	1.9
569.20233	13.5
601.23071	8.0
602.23486	1.6
611.21448	1.3
629.31274	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	629.1152
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01224	0.9
65.00194	0.5
69.69913	0.4
71.01250	0.8
72.99140	0.4
76.85107	0.3
79.95598	0.4
83.01234	0.4
85.02828	0.4
85.93935	0.4
88.98667	0.4
89.02298	0.5
95.01234	0.3
96.95877	1.4
101.02313	0.6
104.03394	0.4
105.01794	1.0
107.01292	1.5
108.02040	0.4
112.93604	0.3
123.00752	1.2
125.02336	4.1
137.02336	0.7
148.01558	0.6
151.00302	2.2
161.02376	0.4
163.00287	0.8
164.01019	0.3
165.01788	0.9
166.02509	0.3
166.99701	0.5
169.01349	4.5
179.03432	0.5
180.04182	0.6
181.04968	0.5
195.06537	0.8
202.83882	0.4
209.11766	0.4
216.04152	0.4
225.07607	0.5
226.02669	0.5
227.03403	1.2
243.02956	5.0
244.03621	0.6
245.01036	0.4
254.02147	1.2
255.02965	15.8
256.03336	1.1
271.02469	32.9
272.02887	3.2
287.01868	0.4
296.87460	0.3
299.01987	4.3
300.02728	100.0
300.99826	1.0
301.03131	8.7
313.05573	0.6
315.05090	87.7
316.02170	1.0
316.05438	7.3
331.04227	0.9
379.40787	0.3
402.12729	0.4
403.13889	0.5
462.08041	1.0
477.10342	48.8
478.10706	5.6
481.56531	0.4
533.30103	0.3
581.19446	0.4
629.11560	11.2
629.20959	0.4
630.11969	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	629.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71319	0.3
63.02270	1.2
65.00196	0.7
69.27214	3.5
71.01254	0.7
73.02792	0.6
83.01229	1.7
85.02813	0.7
88.62595	0.3
91.08768	0.3
95.01301	0.8
96.95889	0.4
101.02321	0.6
106.38323	0.3
107.01270	5.3
111.00758	0.5
113.02307	0.9
123.00768	3.6
124.01574	1.0
125.02332	9.2
133.64606	0.4
135.00784	0.4
136.01480	0.4
139.00296	1.3
140.01054	1.1
141.01859	0.4
144.02277	0.4
148.01573	0.9
149.99467	0.4
151.00270	12.4
153.01846	0.5
163.00253	1.1
164.01083	1.4
168.00552	1.6
169.01323	14.0
170.01674	0.8
179.04849	0.4
195.30562	0.3
216.04170	0.8
227.03439	1.7
228.04085	0.4
243.02965	3.1
244.03639	0.9
254.19099	0.4
255.02948	4.9
256.03503	0.6
259.02448	0.4
271.02438	8.3
271.85342	0.4
272.03122	2.5
283.02176	0.7
284.03241	1.5
287.05640	1.6
299.01855	0.6
300.02728	37.9
301.03003	3.1
312.05045	0.5
313.05640	47.6
314.06186	3.2
315.05084	100.0
316.05417	7.8
473.50696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54388	0.3
59.01249	100.0
60.01587	1.0
60.25441	0.3
61.98702	0.3
69.90247	0.6
69.90654	1.1
103.79545	0.3
104.61227	0.3
123.00752	0.4
125.02358	0.5
169.01418	0.6
181.04993	8.5
184.52084	0.3
196.07336	12.6
197.07736	0.3
198.96959	0.3
211.09697	32.8
212.09990	1.4
276.62418	0.3
345.31573	0.3
362.17822	0.3
384.58646	0.3
421.18668	10.4
422.19220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1145
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
57.71319	0.3
63.02270	1.2
65.00196	0.7
69.27214	3.5
71.01254	0.7
73.02792	0.6
83.01229	1.7
85.02813	0.7
88.62595	0.3
91.08768	0.3
95.01301	0.8
96.95889	0.4
101.02321	0.6
106.38323	0.3
107.01270	5.3
111.00758	0.5
113.02307	0.9
123.00768	3.6
124.01574	1.0
125.02332	9.2
133.64606	0.4
135.00784	0.4
136.01480	0.4
139.00296	1.3
140.01054	1.1
141.01859	0.4
144.02277	0.4
148.01573	0.9
149.99467	0.4
151.00270	12.4
153.01846	0.5
163.00253	1.1
164.01083	1.4
168.00552	1.6
169.01323	14.0
170.01674	0.8
179.04849	0.4
195.30562	0.3
216.04170	0.8
227.03439	1.7
228.04085	0.4
243.02965	3.1
244.03639	0.9
254.19099	0.4
255.02948	4.9
256.03503	0.6
259.02448	0.4
271.02438	8.3
271.85342	0.4
272.03122	2.5
283.02176	0.7
284.03241	1.5
287.05640	1.6
299.01855	0.6
300.02728	37.9
301.03003	3.1
312.05045	0.5
313.05640	47.6
314.06186	3.2
315.05084	100.0
316.05417	7.8
473.50696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56997	2.7
59.01243	7.6
59.79199	2.2
59.83962	2.6
63.79584	2.3
68.99434	10.2
69.03317	4.3
71.01256	37.0
71.56821	3.2
72.17992	2.5
72.99167	5.6
74.95232	3.1
83.01250	4.5
87.92375	14.1
88.93173	3.3
88.98679	2.5
90.94751	3.7
91.98875	2.0
96.95879	2.3
99.00741	9.2
102.94732	6.4
103.91914	62.3
104.92692	46.6
105.93404	2.7
106.94257	9.6
111.00753	6.2
112.98447	17.8
113.02326	12.2
114.94769	43.6
123.94496	11.8
128.96335	8.8
130.94267	17.8
140.96350	7.0
141.55403	2.2
142.94261	16.5
144.95853	11.9
146.93752	11.3
148.95375	3.1
156.95879	16.0
158.93799	12.0
160.87636	2.3
162.96860	5.8
168.95879	2.8
170.97319	2.8
171.94560	24.9
172.95345	15.6
184.95331	19.2
193.95103	2.9
198.96941	5.8
200.94926	14.3
203.01300	2.8
204.97980	8.4
214.96440	3.9
216.98029	4.5
226.96486	2.4
232.97418	4.7
258.98944	5.3
275.99219	7.3
277.21713	32.6
286.98798	2.9
289.00201	5.7
307.01318	11.0
320.99185	17.4
339.00174	72.1
340.00497	6.5
347.00623	10.7
348.01364	4.4
349.02191	30.2
365.14148	15.1
391.15808	18.5
394.14471	3.5
395.15063	3.5
405.18066	2.4
412.15619	3.1
419.15280	2.7
423.18378	3.9
426.13339	3.2
455.16888	3.3
474.89825	3.0
483.27328	2.4
565.21179	5.7
567.22589	100.0
568.22937	18.2
595.16907	2.9
599.21680	41.6
600.22089	8.7
627.24866	36.0
628.24933	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	627.2103
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.99074	1.4
59.01223	2.1
71.55983	1.5
71.56351	1.7
78.95808	1.7
79.95602	1.8
88.47329	1.4
93.63632	1.4
142.26862	1.3
304.44815	1.5
438.13406	1.7
452.14584	3.6
461.42273	1.6
481.15051	9.7
491.17062	2.2
495.16754	20.5
496.16812	4.4
508.17337	3.3
509.18002	2.1
517.36438	2.0
524.73779	2.0
536.16370	2.0
539.22607	2.0
540.15924	4.5
551.19403	45.2
552.19537	10.4
572.15521	2.2
586.17365	2.0
595.18274	9.6
596.18372	2.2
627.20789	100.0
628.21326	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2863
Annotation	Tricalysioside D
Peak:m/z	Relative Intensity
55.01752	1.8
57.03322	1.5
58.00460	3.1
59.01249	62.1
60.01587	0.9
61.98701	0.8
67.01743	0.6
69.03327	6.2
69.36969	4.3
71.01251	76.1
72.01595	1.0
72.99183	8.5
73.02817	21.4
75.00732	2.5
81.03325	1.9
83.01237	3.6
83.04879	0.6
85.02822	12.7
85.99968	2.9
87.00748	16.6
88.98687	0.8
89.02316	100.0
90.02652	1.4
95.01244	2.7
96.95895	2.1
97.02828	69.7
98.03152	1.0
98.20499	0.8
99.00756	35.8
99.04388	1.7
101.02324	34.3
102.02670	0.8
109.02835	1.9
111.00754	1.9
113.02330	17.0
115.03875	4.3
119.03369	4.6
121.02839	0.6
121.06443	0.5
121.10126	0.6
123.00744	1.2
123.04363	1.0
123.08072	0.7
125.02338	22.6
126.02634	0.9
127.03893	1.1
131.03398	20.0
131.04387	1.1
132.03755	0.6
135.08020	0.5
136.05212	0.7
137.09624	3.8
139.00298	0.6
141.01826	1.9
143.03389	2.6
149.04457	48.8
149.09613	2.3
150.04803	1.3
150.06741	1.5
151.00211	0.8
151.07533	2.4
151.11211	1.2
152.04692	0.6
153.09111	3.4
159.02946	0.5
161.02359	0.5
161.04477	4.2
163.06012	1.3
163.07565	2.1
164.04713	0.8
165.09128	36.5
166.09344	1.1
166.99649	0.8
167.10713	7.5
169.01353	2.6
173.04454	0.6
178.09892	0.5
179.03391	0.6
179.10686	1.0
181.04918	0.9
191.03732	0.6
191.05556	13.1
191.07332	0.7
191.14339	1.0
203.14282	1.0
205.12256	0.8
221.06598	1.9
231.13847	4.5
233.06625	18.5
233.15280	0.9
234.06967	0.6
239.12787	2.1
251.07671	3.1
269.19116	1.4
271.02194	0.5
287.20175	5.2
289.18155	0.9
291.07059	1.3
293.08780	22.2
294.09091	1.3
295.10318	0.5
300.99921	1.0
301.17972	0.5
311.09769	0.9
313.17996	1.8
316.02240	1.1
316.16745	0.9
329.16010	12.2
330.16537	1.2
331.19113	12.6
332.19547	0.7
357.20181	0.9
385.19406	0.5
393.13904	1.9
396.18265	0.5
403.21133	5.2
404.21436	0.6
436.26163	0.5
449.25479	1.3
461.20288	53.9
462.20663	4.8
493.24435	6.5
494.24866	0.7
511.25739	1.0
581.29681	9.6
582.29773	1.2
590.25079	0.5
607.27295	0.9
625.28558	55.7
626.28906	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	625.2865
Annotation	Tricalysioside D
Peak:m/z	Relative Intensity
55.01746	1.1
57.03321	1.9
58.00461	2.8
59.01249	62.3
61.98697	2.9
63.36258	0.8
69.03329	3.9
70.59090	3.7
71.01251	74.9
72.01600	1.7
72.99197	5.4
73.02816	17.7
73.71913	1.0
75.00757	1.8
78.95770	1.5
79.95602	22.4
80.96413	4.0
81.03358	2.0
83.01275	5.8
85.02827	10.2
85.99996	3.1
87.00751	17.2
87.04419	1.3
89.02316	98.3
90.02673	1.2
95.01287	3.3
95.04910	3.2
95.95107	10.8
96.95883	65.4
97.02824	10.9
99.00753	27.6
101.02321	33.9
105.34583	1.0
108.02126	1.1
109.06530	0.9
111.00816	1.9
112.93640	4.1
113.02323	12.8
115.03921	3.7
119.03422	3.2
121.02860	2.3
123.04414	10.7
125.02338	20.0
125.03233	1.4
131.03403	18.3
133.06509	1.2
136.05249	2.2
137.09637	4.3
141.01863	2.4
143.03439	2.4
145.04910	1.4
149.04459	52.4
151.07594	2.2
151.11224	2.3
152.99440	1.3
153.09036	1.3
161.04497	3.7
163.09999	1.0
163.11156	5.4
167.10677	2.1
169.01395	3.4
176.98579	2.5
177.09120	1.5
179.10683	1.7
181.12286	1.3
191.03772	3.9
191.05600	13.4
197.11826	2.4
209.11845	4.2
211.13280	1.6
221.06679	2.1
233.06625	17.1
251.07852	4.0
270.94095	1.0
285.18781	1.9
291.07257	2.0
293.08725	14.7
299.99094	1.3
300.99890	1.4
301.18195	2.9
303.19821	2.3
313.18100	14.2
313.20880	0.9
314.18582	1.7
316.02371	2.9
331.19116	26.3
332.19571	2.8
357.20853	1.1
403.21286	10.9
404.21954	1.3
415.21402	1.9
493.24420	19.1
494.24921	1.8
557.45074	1.1
583.39960	1.0
625.28253	100.0
626.28406	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	625.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.8
57.01601	0.6
57.03313	2.1
58.00469	3.6
59.01249	62.4
60.69849	0.5
61.98701	1.1
69.03324	6.3
71.01254	75.4
71.56401	0.7
72.01593	1.0
72.99181	8.9
73.02816	21.3
75.00744	2.9
76.17439	0.7
78.18357	0.6
78.95774	0.7
79.95620	0.9
81.03339	1.5
81.08472	0.6
83.01256	4.2
84.65557	0.7
85.02823	13.2
85.99971	2.8
87.00754	14.0
88.98662	1.4
89.02316	100.0
90.02671	1.2
93.03318	0.9
95.01260	3.1
96.95882	4.2
97.02827	70.2
98.03178	1.3
99.00087	1.1
99.00754	33.7
99.04402	2.1
101.02322	34.2
105.01827	1.0
107.01267	1.8
109.02843	1.5
111.00752	2.0
113.02328	14.3
115.03908	4.9
117.01766	0.7
119.03422	3.6
123.00755	1.2
125.02334	22.7
126.02664	1.1
127.03934	1.4
131.03395	17.3
131.04379	1.1
135.04475	0.7
137.09613	4.8
139.07585	0.9
141.01810	2.3
143.03371	2.6
145.05054	0.7
149.04460	46.8
149.09628	2.0
150.04744	0.8
150.06738	1.4
151.00244	0.8
151.07588	1.8
151.11169	0.9
153.09079	2.4
161.04456	4.4
163.06064	1.5
163.07550	1.4
164.04672	1.0
165.09122	37.9
166.09448	2.0
167.10684	6.1
169.01341	2.8
179.10703	1.3
191.05545	12.5
191.14384	0.9
221.06631	2.1
231.13873	4.2
233.06612	15.5
233.15549	0.7
239.12865	2.0
251.07777	3.4
269.19058	1.5
287.20160	5.3
289.18005	0.7
291.07385	1.6
293.08795	21.3
294.09091	0.9
299.99109	0.9
300.99963	1.3
304.39175	0.6
311.09720	0.8
313.18082	1.9
316.02271	1.5
329.16013	12.7
331.19141	12.2
332.19366	0.7
359.22107	0.8
393.14139	2.1
401.20328	0.8
403.21097	4.9
404.21722	0.9
421.88040	0.8
427.23111	0.8
449.25449	1.3
461.20300	55.4
462.20654	4.9
493.24530	5.6
494.24927	0.8
511.25644	1.0
527.24963	0.8
581.29681	8.5
582.30365	0.9
625.28650	63.3
626.29016	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	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96191	1.2
59.01250	16.0
59.76490	1.0
65.41110	0.9
71.01252	14.6
71.56312	1.3
72.99190	1.4
73.02805	1.8
79.44934	0.9
80.02554	1.6
81.03325	2.9
83.01239	1.2
83.04887	5.8
84.02065	1.6
85.02826	3.3
87.00754	3.7
89.02316	14.6
93.95997	0.9
95.01270	2.6
96.95902	2.8
97.02830	4.2
99.00757	1.6
101.02309	12.7
107.01294	2.0
111.00751	1.7
113.02347	5.2
119.03401	4.2
123.00779	3.9
125.02318	8.9
125.05926	1.1
143.03403	2.4
151.00249	2.3
161.04471	2.8
163.11189	3.3
165.12762	2.8
166.99840	2.0
169.01329	7.7
177.02020	1.2
178.99799	1.9
179.05507	1.9
187.00307	1.0
191.10684	1.5
204.94379	1.0
209.11758	100.0
210.12070	6.7
215.63930	0.9
227.12814	21.3
228.13356	1.5
231.03099	1.5
235.08185	4.3
245.01012	1.3
254.07619	1.1
261.00607	1.1
270.98843	1.5
287.01950	4.3
287.07654	1.6
298.98291	1.2
299.99197	1.2
300.99899	4.4
316.02231	3.6
331.00854	2.1
397.13467	27.3
398.13922	1.8
415.14511	15.8
416.15005	1.9
459.11621	1.5
483.58347	0.9
625.13300	3.3
625.30206	1.5
638.71967	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.1
62.11385	0.9
65.00198	2.3
69.36468	5.2
69.36889	4.4
71.01235	2.3
83.01274	1.1
89.02327	1.4
95.01258	2.2
96.95896	1.1
99.00727	1.4
101.02299	1.8
106.47351	1.2
107.01237	2.8
107.23864	1.1
109.02814	2.0
109.99959	4.6
111.00803	4.9
115.90469	1.1
123.00764	4.6
124.01558	2.3
125.02341	5.4
133.02811	1.1
136.98682	1.4
137.02345	2.0
137.99469	2.2
139.00258	7.3
143.04898	1.2
147.04466	1.1
148.01599	1.4
148.97014	1.0
149.02333	2.0
151.00252	9.8
152.01004	4.3
159.04430	1.8
161.02377	2.3
163.00302	2.1
164.01067	2.1
165.98981	7.8
166.99768	4.9
167.38841	1.1
169.01337	4.9
171.04379	1.1
171.17691	1.2
174.03084	1.4
175.03836	1.4
176.00934	1.2
178.99809	9.1
183.04341	1.4
186.31839	1.0
187.03952	1.6
189.01854	2.6
191.03429	1.1
194.99258	1.2
198.03099	1.5
199.03900	3.2
201.01831	3.3
202.02551	1.4
203.03436	3.0
206.99263	3.4
208.00020	1.3
209.11743	5.3
211.04025	1.3
214.02614	3.6
215.03403	3.8
216.04231	1.2
219.02837	2.0
227.03418	5.7
227.12920	1.1
229.01410	1.5
230.01923	1.2
231.02954	2.6
242.02092	5.0
243.02904	9.9
244.03616	3.3
255.02930	7.4
259.02356	4.6
270.01605	6.3
271.02451	36.2
272.03003	5.4
273.03989	2.9
275.01956	1.5
287.01938	13.5
288.02594	6.9
289.03546	1.8
298.01169	1.7
299.01944	39.4
299.99124	2.0
300.02377	4.3
300.99908	5.6
301.03174	1.9
315.01477	4.2
316.02209	63.6
317.02927	28.9
318.03238	2.3
369.99292	1.1
392.67874	1.3
397.13583	1.7
415.14365	1.1
581.15076	1.9
607.13086	3.1
625.14087	100.0
626.14502	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	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.1
62.11385	0.9
65.00198	2.3
69.36468	5.2
69.36889	4.4
71.01235	2.3
83.01274	1.1
89.02327	1.4
95.01258	2.2
96.95896	1.1
99.00727	1.4
101.02299	1.8
106.47351	1.2
107.01237	2.8
107.23864	1.1
109.02814	2.0
109.99959	4.6
111.00803	4.9
115.90469	1.1
123.00764	4.6
124.01558	2.3
125.02341	5.4
133.02811	1.1
136.98682	1.4
137.02345	2.0
137.99469	2.2
139.00258	7.3
143.04898	1.2
147.04466	1.1
148.01599	1.4
148.97014	1.0
149.02333	2.0
151.00252	9.8
152.01004	4.3
159.04430	1.8
161.02377	2.3
163.00302	2.1
164.01067	2.1
165.98981	7.8
166.99768	4.9
167.38841	1.1
169.01337	4.9
171.04379	1.1
171.17691	1.2
174.03084	1.4
175.03836	1.4
176.00934	1.2
178.99809	9.1
183.04341	1.4
186.31839	1.0
187.03952	1.6
189.01854	2.6
191.03429	1.1
194.99258	1.2
198.03099	1.5
199.03900	3.2
201.01831	3.3
202.02551	1.4
203.03436	3.0
206.99263	3.4
208.00020	1.3
209.11743	5.3
211.04025	1.3
214.02614	3.6
215.03403	3.8
216.04231	1.2
219.02837	2.0
227.03418	5.7
227.12920	1.1
229.01410	1.5
230.01923	1.2
231.02954	2.6
242.02092	5.0
243.02904	9.9
244.03616	3.3
255.02930	7.4
259.02356	4.6
270.01605	6.3
271.02451	36.2
272.03003	5.4
273.03989	2.9
275.01956	1.5
287.01938	13.5
288.02594	6.9
289.03546	1.8
298.01169	1.7
299.01944	39.4
299.99124	2.0
300.02377	4.3
300.99908	5.6
301.03174	1.9
315.01477	4.2
316.02209	63.6
317.02927	28.9
318.03238	2.3
369.99292	1.1
392.67874	1.3
397.13583	1.7
415.14365	1.1
581.15076	1.9
607.13086	3.1
625.14087	100.0
626.14502	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00491	0.3
65.00199	1.1
70.91161	0.7
83.01298	0.4
107.01293	1.8
108.55811	0.3
109.02830	0.5
123.00739	0.4
123.07877	0.5
124.01559	2.3
125.02340	0.4
135.00774	0.6
137.02359	1.6
138.71121	0.3
151.00270	6.2
152.00999	1.2
163.00293	1.2
164.01062	1.5
165.01833	0.4
175.03923	0.4
178.99756	5.3
180.00014	0.4
185.02336	0.4
192.00674	0.3
199.03943	0.5
203.03493	0.9
204.04106	1.0
214.02640	6.7
215.03345	1.0
227.03563	0.6
231.02907	0.6
242.02188	6.1
243.02933	4.2
244.03435	0.6
259.02469	6.7
260.02859	0.3
270.01660	6.3
271.02478	39.1
272.02792	2.3
287.01968	22.0
288.02444	2.7
315.01535	0.8
316.02231	76.0
317.02875	14.5
318.03333	0.6
544.31232	0.5
585.11731	0.4
625.14087	100.0
626.14459	13.2
626.22961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1407
Annotation	Tricetin 3',5'-diglucoside
Peak:m/z	Relative Intensity
51.24764	1.4
51.60116	1.6
52.65758	1.4
55.88447	1.4
59.01252	13.7
65.00184	4.0
67.25751	1.3
67.26119	1.4
69.51942	12.3
71.01254	7.4
74.81596	1.3
79.01736	1.3
89.02298	6.0
93.40079	1.7
95.01256	3.4
101.02333	3.3
109.02825	2.9
110.84337	1.5
111.00736	2.5
113.02339	2.4
119.03384	2.9
121.02826	3.8
123.00748	2.7
125.02313	4.5
131.01303	3.8
133.02803	7.9
136.62305	1.6
136.98746	3.5
137.02313	2.7
147.04399	1.7
148.01617	1.4
149.02344	10.3
150.03079	3.4
151.00272	4.3
154.37038	1.5
161.02301	3.2
163.00232	4.8
164.01067	1.6
165.01782	6.2
166.99663	2.0
169.01297	5.7
175.00275	12.2
175.03925	1.8
176.00966	1.7
177.01862	3.7
179.03493	2.0
189.01784	5.5
191.03358	3.5
193.01440	1.7
201.01830	3.8
203.03351	2.2
205.01334	1.8
206.02211	1.9
207.02963	1.8
215.03419	1.7
216.00546	1.6
216.47978	1.8
217.01314	3.5
225.05554	1.6
227.03326	1.6
229.01202	1.9
231.03091	2.7
239.03613	1.8
243.02959	1.7
253.04973	3.2
257.04501	3.0
268.03812	2.1
269.04385	3.8
270.05231	2.4
271.02481	2.8
279.02957	2.5
281.04477	7.9
283.02600	2.0
283.06003	2.1
285.03931	2.9
297.04028	4.8
299.05466	2.3
300.02725	37.0
301.00122	3.6
301.03464	14.9
307.02420	3.1
311.05447	1.8
313.03497	6.3
314.04248	19.5
315.04752	2.1
325.03442	27.0
326.03802	3.7
327.04999	3.8
341.03186	1.9
343.04425	10.9
355.04584	5.2
364.65915	1.5
367.04489	3.7
373.05557	4.8
374.05328	1.9
385.05411	2.4
427.06522	3.0
445.07608	18.0
463.08786	2.0
505.09769	16.7
539.71075	1.8
547.74408	1.8
607.13092	4.0
625.14020	100.0
626.14276	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	623.1616
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
52.42591	0.4
57.03314	0.3
59.01245	0.8
63.02282	0.4
65.00192	1.0
71.01245	0.8
71.33257	0.7
77.41423	0.3
83.01235	0.8
89.02303	0.4
89.46744	0.3
93.78933	0.3
96.95889	0.8
107.01272	1.9
114.08902	0.4
123.00760	0.8
125.02304	1.2
137.02406	0.5
144.42178	0.4
145.02812	0.8
147.00771	0.4
151.00270	5.4
155.04996	0.5
159.04411	0.4
163.00246	1.4
164.01149	0.5
169.01358	1.6
171.04366	0.7
178.99770	0.6
183.04439	1.2
185.02325	0.5
187.03969	0.7
189.01866	0.9
199.03937	4.8
203.03383	0.9
207.10028	0.4
211.03888	0.9
215.03435	2.6
226.02727	0.7
227.03448	4.2
228.04050	0.7
229.01511	0.6
242.02174	3.3
243.02948	25.8
244.03406	2.2
245.01111	0.6
254.02109	0.7
255.02945	12.1
256.03372	1.4
257.04556	3.7
270.01675	3.2
271.02451	36.1
272.02933	3.9
285.04028	7.6
286.04776	2.3
287.02460	0.4
287.05554	1.7
289.00006	0.4
299.01959	54.3
300.02661	20.1
300.99869	0.8
301.03149	1.3
307.39499	0.4
313.03488	1.1
314.04303	48.7
315.05060	40.6
315.09018	0.8
316.05566	2.8
333.93027	0.4
349.41281	0.4
357.06165	1.0
415.12656	0.4
469.40628	0.4
623.16144	100.0
624.06079	0.8
624.16431	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	623.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82844	1.0
59.01255	6.0
61.98698	3.2
62.82416	1.0
65.00173	1.3
69.03281	1.2
71.01247	5.4
71.20895	1.8
74.02316	1.0
75.00735	1.6
78.95752	1.9
79.95607	1.4
80.96380	1.1
81.22137	0.9
85.02817	2.3
85.56380	1.1
88.98676	4.6
89.02308	3.8
95.01266	2.2
96.95915	5.3
99.92496	1.1
101.02320	3.2
105.44155	1.0
107.01289	3.6
108.09550	1.0
109.45567	1.1
111.00764	1.3
113.02357	1.5
116.92741	9.8
116.97159	2.9
123.00777	2.6
124.01548	1.8
125.02355	6.7
137.02382	1.4
138.26659	1.1
138.31291	1.2
145.21823	1.0
147.04410	5.7
151.00299	7.4
152.99405	1.0
161.04572	1.4
163.00221	1.6
164.01035	1.2
164.40315	1.0
168.00526	1.1
169.01353	8.0
178.99782	5.0
187.00343	1.6
187.03951	2.1
199.03905	2.1
203.03453	6.1
213.02034	1.1
214.02596	3.5
215.03418	5.2
216.00204	1.2
219.45749	1.0
229.01471	1.5
231.02928	3.1
242.02167	4.2
243.02917	8.6
245.00845	1.3
257.00995	1.1
259.02472	11.3
260.02914	1.2
270.01642	4.2
271.02487	33.0
272.02777	2.7
287.01953	32.3
288.02521	3.5
299.99258	1.2
300.99698	2.5
312.02646	1.3
315.01465	41.9
316.02222	96.7
317.02713	10.8
327.05176	2.5
330.03720	6.6
331.04562	58.5
332.04861	5.7
368.14615	1.1
475.08713	7.7
559.75623	1.3
595.18628	1.5
608.11475	5.5
622.34576	1.3
623.14038	100.0
623.35931	2.9
624.14203	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	623.1408
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
59.01249	0.6
60.15982	0.4
71.01264	0.8
96.95888	18.1
101.02316	0.5
107.01260	0.9
108.02068	0.8
110.03291	0.3
117.03361	1.2
119.04912	2.7
125.02317	0.7
143.79361	0.4
145.02834	3.0
147.00742	0.4
148.01593	0.9
151.00301	1.8
163.03900	1.4
169.01318	0.6
199.03967	1.0
215.03461	0.6
216.04250	0.6
226.02702	0.7
227.03441	1.6
231.35445	0.4
242.02341	0.4
243.02950	6.7
244.03307	0.4
254.02184	1.2
255.02972	16.0
256.03250	1.0
271.02469	40.0
272.02939	3.7
299.01993	6.6
300.02734	100.0
301.03091	7.8
301.06476	0.6
314.04245	0.5
315.05096	94.3
316.05392	7.7
459.09421	1.8
462.07587	0.4
477.10321	18.3
478.10837	1.7
623.14020	20.2
624.14539	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	621.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59175	0.2
57.42973	0.2
58.02833	0.4
59.01239	1.5
61.98717	0.3
71.01251	1.3
71.56677	0.4
71.57051	0.2
72.99154	0.2
78.95776	3.2
79.95601	2.7
85.02802	0.7
87.00739	0.2
89.02310	1.0
95.01292	0.4
96.95887	100.0
96.96774	5.1
98.02342	0.8
98.95461	0.7
101.02309	1.1
101.14578	0.2
102.01857	0.2
107.01257	0.4
112.93612	0.3
113.02333	0.4
119.03413	0.4
123.00777	0.6
125.02328	1.3
127.08305	0.2
139.00246	0.3
146.83260	0.2
151.99586	0.3
161.02449	0.4
169.01328	1.6
179.05563	0.4
187.00206	0.3
205.05057	0.3
229.01335	0.2
300.99808	0.5
353.20050	0.5
561.29395	2.2
621.33179	0.7
649.69763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39745	2.1
64.94465	1.9
65.31185	2.0
69.71115	1.9
71.11835	4.2
78.95770	6.3
81.41604	2.2
111.37043	2.1
117.95192	2.1
137.20753	2.1
152.99422	3.9
165.31383	2.0
241.68567	2.5
255.23267	4.7
377.23190	2.1
415.15588	2.7
416.16324	14.4
417.16702	2.5
430.18112	5.4
459.18243	100.0
460.18399	14.2
473.19888	17.6
474.20163	9.7
501.19476	2.2
503.17261	3.7
518.19525	41.3
519.19788	6.3
532.21045	8.1
533.21881	72.3
534.22260	7.4
577.06372	2.1
587.22772	5.1
619.25690	56.4
620.25897	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	619.2557
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.33031	1.2
95.07612	0.5
149.34360	0.5
157.50754	0.5
245.06717	0.6
389.15271	0.7
401.14023	2.4
415.15674	3.6
416.16379	14.5
417.16803	2.1
429.17072	1.3
430.18179	3.1
431.18768	2.0
434.17239	0.8
444.15741	0.9
445.15762	0.7
458.17383	0.7
459.18250	81.0
460.18555	13.3
460.24948	0.9
473.19836	12.3
473.26413	0.5
474.20450	4.9
485.15836	1.0
487.17651	1.3
488.18219	0.9
499.17645	1.1
501.19464	1.9
502.19574	0.7
503.17331	1.9
517.19086	0.7
518.19580	38.0
519.19897	6.1
532.21124	7.6
533.21912	100.0
534.22150	14.3
543.19806	0.8
587.23047	6.2
588.23022	1.1
619.25580	77.9
620.25867	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	619.17
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.5
59.84748	0.2
61.98689	0.2
70.97073	0.6
71.01243	1.2
73.02866	0.3
78.95776	7.0
79.95615	3.1
89.02317	0.9
93.45273	0.3
95.01278	0.3
96.95888	100.0
96.96790	9.4
97.95843	0.4
98.02352	4.3
101.02320	0.3
104.50730	0.2
107.01232	0.8
113.02338	0.4
119.03431	0.4
123.00768	1.3
125.02334	3.1
137.02310	0.3
139.00259	0.5
161.02338	0.5
163.03857	0.4
166.99786	0.8
169.01338	4.1
170.01660	0.4
181.05058	0.3
185.36891	0.2
189.01773	0.3
205.01514	0.3
216.00616	0.3
217.01100	0.3
229.01245	0.3
247.02469	0.6
273.00314	0.6
275.01929	0.3
299.99097	0.7
300.99857	1.8
301.02872	0.3
302.00204	0.5
311.09073	0.4
439.10806	0.7
499.12842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94178	0.1
54.57845	0.1
71.56731	0.2
78.95777	1.6
79.95607	2.0
83.86406	0.1
89.54466	0.1
96.95889	100.0
97.95822	0.3
192.45209	0.1
224.06891	0.1
243.17346	0.1
279.23227	0.1
287.34045	0.1
361.71216	0.1
505.82141	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	617.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55535	0.9
58.35414	0.8
59.01255	4.7
61.98696	2.1
65.08674	0.8
69.63232	5.2
69.63651	1.5
71.01239	4.6
72.59062	0.8
72.99185	1.0
73.02840	0.9
75.00748	1.0
78.95774	1.7
79.95602	2.1
80.96391	2.5
82.99981	0.9
85.02823	2.0
87.00761	1.2
89.02319	2.6
91.76794	1.2
93.03329	4.0
94.04664	0.9
95.01271	2.4
95.04906	2.1
96.95890	71.2
96.96868	3.9
98.20460	0.9
101.02309	2.5
107.01252	2.1
107.04874	0.9
109.02839	1.1
113.02341	2.1
121.02847	9.9
122.03638	14.4
123.00760	3.4
123.04475	1.3
125.02323	7.0
131.01286	0.8
132.02098	1.6
133.02803	1.7
136.01552	1.8
137.02330	4.3
139.03897	2.7
147.04442	1.0
149.02347	71.8
150.03133	97.2
151.03700	2.9
153.05463	3.1
161.02376	1.6
163.03894	1.6
164.04720	14.8
165.01799	2.4
165.05484	100.0
166.05783	4.4
169.01372	7.7
169.06366	0.9
171.10165	12.6
179.03343	0.9
180.04182	8.3
181.04985	39.5
182.05785	13.3
188.01181	1.2
195.06558	71.7
196.07327	38.3
196.09169	1.2
197.08136	24.3
198.08334	1.2
198.74429	0.9
209.08289	1.1
209.11768	8.9
211.09708	45.0
212.10052	2.2
227.12804	2.0
229.01462	1.0
245.00700	1.2
299.98984	1.1
300.99976	3.4
326.84604	0.9
341.14053	1.2
342.11075	1.8
343.11838	1.1
357.13361	11.2
358.13931	1.3
392.49969	0.9
416.41602	1.2
554.21826	1.9
557.26404	1.4
569.23901	64.3
570.24396	11.7
573.23706	1.3
579.89087	1.1
617.34888	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	615.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	1.7
67.01740	1.2
69.27101	2.0
69.27506	5.1
71.01254	1.6
72.99178	1.3
83.01261	1.1
86.98976	0.6
88.71474	0.7
88.98667	1.6
90.61140	0.7
91.00231	1.2
93.03358	1.0
95.22435	0.7
96.95887	1.1
97.02824	2.3
101.54731	0.8
107.01270	2.8
110.42410	0.7
121.02837	3.0
122.03619	1.4
123.00771	1.8
124.01533	1.1
125.02341	5.2
136.01550	2.2
137.02336	18.7
147.00783	0.8
149.02350	2.9
150.03120	10.0
151.00255	8.5
151.03911	2.3
153.01830	4.8
163.03990	1.5
164.01022	3.5
165.01843	100.0
165.05472	11.6
166.02165	3.5
166.99644	0.8
169.01328	6.2
178.99806	3.4
179.03418	29.2
179.07056	1.1
180.04192	59.6
181.01376	5.5
181.04538	3.7
182.01859	0.8
192.28563	0.8
194.05731	6.6
195.02867	3.2
195.06552	86.2
196.06909	3.6
205.08618	1.2
210.05283	12.5
217.01306	1.0
225.07631	63.1
226.08015	3.2
229.01640	0.9
242.02171	3.3
243.02919	1.1
245.00903	1.7
255.02875	1.4
270.01678	3.3
270.09174	0.9
271.02386	5.7
283.09854	1.6
285.08078	0.9
285.11264	2.2
287.02045	2.5
298.01227	0.7
298.08444	1.4
299.01984	5.1
299.09418	1.8
299.12701	0.9
299.99289	0.9
300.02582	1.0
301.03510	16.0
302.03928	1.8
311.09119	1.0
314.07968	1.3
315.01398	2.5
315.04947	0.8
316.02289	7.8
317.02875	4.2
325.10941	0.9
326.11496	1.2
327.12320	2.4
328.13089	6.0
329.10242	6.2
329.13626	1.1
331.04562	4.7
341.10303	5.9
343.15546	0.9
344.12564	7.6
345.13437	1.3
355.11960	1.0
356.12717	2.6
359.14951	17.1
360.15274	1.6
371.14951	14.5
372.15744	2.0
389.16083	6.1
390.16708	0.9
403.06796	1.4
431.06122	23.5
432.06259	3.8
433.07642	6.5
434.08762	0.7
448.06314	0.9
463.08820	12.1
464.09003	1.7
465.06680	1.5
491.17261	1.1
493.18881	1.0
522.18732	1.3
537.21777	5.5
552.20172	1.1
567.22296	49.7
568.22681	7.1
614.91870	0.8
615.10095	1.8
615.24628	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	615.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70100	0.4
63.02258	1.1
65.00192	2.4
71.32953	0.7
83.01253	1.5
93.03347	0.5
94.74757	0.4
94.77189	0.4
95.01241	0.4
96.95886	0.7
107.01274	4.8
109.02828	1.2
121.02863	3.3
123.00761	0.8
124.01538	1.5
125.02351	3.3
136.01540	0.6
137.02357	2.7
139.00313	0.4
141.01886	0.4
148.01558	0.5
151.00273	18.7
152.00861	1.4
159.04448	0.5
160.54999	0.4
163.00269	1.6
164.01036	1.4
165.01826	0.7
166.99782	0.4
169.01335	7.5
178.99783	11.0
187.03856	0.4
192.00568	0.6
193.01376	0.6
201.01694	0.4
214.02611	4.7
215.03333	0.5
227.03444	1.1
242.02162	3.4
243.02908	2.5
245.04343	0.6
255.03117	0.7
259.02472	3.3
264.43024	0.4
270.01694	4.6
271.02454	28.0
272.02844	2.2
273.04071	0.9
287.01962	14.4
287.39090	0.4
288.02386	1.5
295.04446	0.5
300.02728	1.7
301.03506	30.7
302.00443	0.4
302.03827	2.2
313.05490	0.4
315.01456	0.6
316.02219	76.9
317.02890	19.1
317.06683	0.8
318.03293	0.7
463.08804	100.0
464.09204	8.9
546.57819	0.4
615.11414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38669	0.1
63.02267	2.0
65.00195	2.9
65.20305	0.1
81.03345	0.4
83.01257	2.0
84.10177	0.2
91.01740	0.3
95.36187	0.1
107.01268	6.7
109.02837	5.8
119.01277	0.3
123.00771	0.4
124.01534	0.5
125.02341	2.6
131.04930	0.2
135.00781	0.6
136.01552	0.2
137.02344	13.1
138.02690	0.3
143.04938	0.2
151.00275	22.9
152.00592	0.8
155.03389	0.3
159.04428	0.3
161.02313	0.2
163.00293	2.1
164.01077	0.7
165.01820	1.4
169.01337	2.7
171.04416	0.4
175.03918	0.4
178.99780	16.6
180.00063	0.6
183.04445	0.4
187.03952	0.3
189.05455	0.3
190.99777	0.3
192.00531	1.1
193.01338	0.8
199.03983	0.9
203.03387	0.6
205.40674	0.2
214.02620	0.2
215.03432	0.4
217.05019	0.2
219.03105	0.2
227.03496	1.8
231.02791	0.2
242.02165	0.4
243.02980	1.6
244.03352	0.2
245.04536	0.5
255.02934	0.3
259.02405	0.3
261.03992	1.0
265.59976	0.1
270.01746	0.3
271.02457	3.6
272.02927	0.4
281.00977	0.2
287.01987	1.3
288.02335	0.2
289.03510	0.6
297.06265	0.2
299.01965	0.8
301.03638	0.7
302.92059	0.2
315.01535	0.4
316.02231	2.5
317.02997	100.0
318.03357	6.9
348.45438	0.2
463.08762	2.7
615.09894	20.5
616.10266	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	615.0988
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
60.02021	0.2
63.02266	4.9
65.00191	9.3
69.38109	0.3
69.38506	1.1
71.01246	0.3
74.94357	0.2
83.01251	6.2
91.01703	0.2
93.03346	2.5
95.01258	0.5
95.83366	0.2
97.29600	0.2
107.01269	19.4
108.02114	0.2
108.99232	0.3
109.02826	2.2
109.03498	0.2
119.01230	0.2
119.04939	0.3
121.02840	14.5
122.00729	0.2
122.03162	0.5
123.00768	0.8
124.01552	0.3
125.02335	1.9
135.00713	0.2
137.02383	0.2
139.00302	0.3
139.03905	1.0
147.04413	0.4
148.01588	0.3
149.02353	1.8
151.00272	53.7
152.00571	1.5
159.04431	0.7
160.14984	0.2
161.02380	0.7
163.00319	1.4
163.03940	0.9
164.01059	1.0
165.01721	0.4
167.04968	0.2
169.01343	5.4
169.02773	0.4
171.04347	0.2
175.03973	0.4
178.99783	20.0
180.00104	0.8
183.04413	0.6
185.02513	0.2
185.06038	0.3
187.03896	0.8
189.01851	0.2
189.05499	0.3
192.00554	0.3
193.01410	1.1
196.00098	0.2
199.03879	0.3
201.05516	0.6
203.03374	0.3
205.05003	0.3
211.03970	1.1
213.01860	0.2
215.03345	0.2
227.03432	0.8
229.05025	1.7
231.02835	0.2
239.03380	0.4
243.02960	0.7
245.04517	1.4
255.03018	1.4
256.03479	0.6
257.04578	1.1
271.02466	1.5
272.02881	0.7
273.04053	2.4
274.04239	0.2
284.03180	0.3
299.01892	0.5
300.02762	1.6
301.03506	100.0
302.03842	7.2
313.05612	4.3
314.05850	0.3
463.08926	0.3
490.57001	0.2
554.45801	0.2
615.09717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
70.71697	0.6
78.95770	1.5
79.95604	2.3
96.95889	100.0
96.96892	2.4
135.36107	0.3
181.52457	0.3
202.13501	0.2
217.00183	0.3
301.03305	0.3
347.43771	0.3
378.78262	0.3
405.04971	0.3
405.37054	0.3
496.00986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23475	0.4
65.00191	0.6
83.01247	0.5
91.87412	0.4
96.95923	0.6
107.01239	2.1
109.02799	0.4
109.91174	0.3
121.02848	0.6
123.00801	0.6
124.01546	0.7
125.02319	2.5
137.02316	1.0
151.00264	4.9
163.00279	0.8
164.01051	0.6
164.04584	0.4
165.05453	0.5
166.99820	0.6
169.01328	3.0
171.04388	0.5
178.99788	3.0
195.06578	0.7
199.03902	0.6
201.01877	0.5
203.03462	1.4
211.09370	0.3
212.92357	0.4
213.01859	0.5
214.02708	0.9
215.03391	0.9
217.01260	0.5
227.03496	0.7
229.79816	0.5
229.81828	0.5
231.02994	1.1
242.02092	2.0
243.02934	3.2
259.02438	5.3
260.02802	0.7
270.01636	3.7
271.02441	19.3
272.02814	1.5
274.99188	0.3
287.01956	16.7
288.02484	1.6
292.94888	0.4
301.00027	0.6
301.03445	4.7
302.03906	0.4
315.01450	20.1
316.02206	62.4
317.02795	10.2
318.03128	0.5
329.02383	0.4
330.03836	4.5
331.04565	52.4
332.04932	3.6
448.06461	7.2
449.07007	0.9
463.08798	100.0
464.09073	10.5
525.22363	0.4
615.09839	4.9
616.10614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.1
71.14606	0.2
78.95772	1.6
79.95607	2.5
80.55133	0.1
96.95889	100.0
97.95821	0.3
99.66571	0.1
116.92752	0.1
284.12180	0.1
309.15225	0.1
435.75882	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01596	0.8
61.98699	0.5
67.01745	0.3
69.80536	0.9
69.80947	0.6
71.01258	0.3
77.67791	0.3
93.03336	1.1
95.01253	0.8
96.95869	0.5
98.99022	0.4
103.80499	0.3
105.03324	0.3
107.01276	0.8
109.02856	0.4
116.62754	0.2
121.02780	1.4
122.03627	4.6
123.00772	1.3
125.02340	2.3
126.98486	0.7
133.02856	0.7
134.03580	0.3
136.01537	0.5
137.02322	0.9
139.00258	0.2
145.02861	0.5
149.01437	0.2
149.02342	10.3
150.03125	47.0
151.00299	0.8
151.03421	1.8
161.02281	0.4
163.00284	0.4
164.04688	2.7
165.05479	75.5
166.05807	2.7
166.99762	0.7
169.01321	2.8
175.03821	0.4
180.04182	4.9
181.04942	3.1
182.97488	0.7
187.00217	0.3
195.06554	90.9
196.07001	6.1
200.98553	0.9
211.09706	3.5
217.01428	0.5
229.01370	0.4
236.88556	0.3
242.99289	0.3
245.01022	0.5
270.98972	0.4
271.02383	0.4
273.00543	0.4
283.02448	0.3
285.04160	0.4
298.98309	0.4
299.01755	0.7
299.99228	0.5
300.02591	0.4
301.00006	2.2
317.03085	1.9
344.12598	1.0
359.15012	3.9
360.15057	0.6
407.17099	21.7
408.17523	2.1
532.95557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37445	0.9
55.96971	0.9
59.01254	4.9
61.98692	3.3
67.01773	1.1
71.01261	2.9
71.20181	1.8
73.02840	1.8
73.75224	0.9
79.95641	1.3
89.02306	2.4
93.03333	5.0
95.01272	1.3
96.95896	4.5
101.02348	2.2
107.04891	1.1
109.02825	5.1
121.02847	8.6
122.03635	12.7
123.00777	3.4
123.04459	1.5
124.01546	1.6
125.02325	3.5
131.04930	1.5
133.02888	1.8
134.03659	1.3
135.04416	3.1
136.01570	8.3
137.02357	23.9
138.02959	1.2
139.00221	1.4
139.03922	1.7
149.02353	29.4
150.03134	94.7
151.00258	9.3
151.03949	11.5
152.01051	1.9
152.04688	2.6
159.04407	1.4
161.02359	2.0
162.03053	0.9
163.03946	1.8
164.01038	1.1
164.04689	4.5
165.01846	55.7
165.05482	100.0
166.02635	22.9
166.05844	4.5
167.03313	3.9
169.01297	2.8
175.03937	3.4
177.01813	1.8
177.05478	2.1
179.03404	12.9
179.06909	1.4
180.04204	33.2
181.04987	25.7
182.05380	1.1
183.69759	1.0
184.03751	1.5
187.03981	2.7
189.05457	1.9
190.02679	1.2
190.06290	3.3
191.03326	1.3
192.04248	1.6
193.04956	1.5
195.06564	91.3
196.06885	3.9
205.05022	7.3
205.11977	1.1
210.05354	5.8
216.16266	1.1
220.07352	3.7
221.08142	1.9
225.05470	1.3
225.07631	26.7
235.09613	2.0
282.05325	1.5
300.99750	1.9
315.08478	1.1
329.10324	3.9
339.08939	1.5
355.11853	1.2
356.12656	1.2
357.09564	1.6
357.13370	3.7
359.11148	1.3
372.12085	1.5
373.12805	1.4
386.13617	1.4
387.10840	2.0
387.14658	21.2
388.14734	1.2
402.13025	1.3
403.13943	3.4
416.14584	1.2
417.10162	2.0
417.15533	29.3
418.15952	3.1
461.00708	1.4
535.19385	3.8
547.19733	1.8
550.18756	1.4
553.05505	1.2
565.20758	65.0
566.21240	9.7
613.22437	3.5
613.32935	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	611.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03693	0.7
53.55502	0.8
55.01746	0.9
57.03323	2.4
59.01249	57.7
60.01590	0.9
60.28885	0.8
61.98700	3.7
69.03345	1.5
71.01248	17.7
71.12022	2.0
72.99178	1.1
73.02824	6.7
78.91769	2.1
79.95590	2.6
83.01265	2.6
83.04922	1.0
85.02818	5.0
85.05383	0.7
88.98661	2.3
89.02320	4.3
89.32605	0.8
95.01248	2.4
95.04900	2.0
96.95858	2.1
97.02811	1.6
99.00751	1.4
101.02328	8.5
102.94855	0.7
107.01263	1.9
109.06456	1.3
111.00756	1.2
113.02357	5.8
116.92723	1.7
119.03378	1.8
121.06455	0.8
122.03660	1.1
123.00719	2.4
125.02323	5.9
137.09627	1.0
138.06786	4.7
139.07573	1.5
139.11191	26.8
140.11479	1.4
151.00238	1.3
151.07558	3.8
152.08327	5.9
153.09129	13.4
161.04436	1.5
163.11194	4.7
165.09076	2.3
166.99811	1.1
169.01352	6.6
179.10684	1.1
181.12270	11.9
183.02892	0.8
183.10187	47.3
184.10577	1.7
205.12277	11.1
207.10138	1.4
223.13397	1.9
225.11258	8.4
243.12434	4.4
299.99112	1.6
300.99783	2.4
337.09988	0.8
367.17581	6.8
385.18530	1.4
397.05588	1.2
427.19498	1.6
429.08154	3.7
579.08105	1.4
593.29633	11.1
594.30292	1.6
611.30713	100.0
612.31030	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01250	43.8
59.37722	0.5
61.98695	2.4
63.96089	0.5
66.09066	0.4
67.01752	0.4
70.32330	1.9
71.01251	5.5
72.99172	1.2
73.02457	0.6
73.02803	2.6
75.00737	0.9
79.02483	0.4
79.95612	1.9
81.95185	0.6
83.01254	1.2
83.04902	0.6
85.02834	1.8
87.00735	0.6
87.04381	0.8
88.03915	0.5
88.98662	2.8
89.02313	2.6
91.00224	0.9
95.01288	1.0
96.95889	1.2
97.02854	0.6
97.06436	0.6
97.48860	0.5
98.05987	0.4
99.00726	0.6
101.02319	3.1
107.01276	1.5
109.06443	0.5
113.02282	2.2
113.06017	0.5
115.19849	0.5
116.92785	0.7
119.03373	0.6
121.02856	0.5
123.00755	1.9
125.02336	4.0
125.05978	0.8
134.94887	0.4
136.05182	0.7
137.09615	0.8
138.06805	1.8
139.07573	0.9
139.11179	22.4
140.11513	0.9
145.06567	0.4
149.02399	1.0
149.09625	0.5
151.00278	0.5
151.07500	1.4
152.08313	1.5
153.09113	4.8
161.02351	0.4
161.04424	0.9
161.09660	1.3
163.11140	2.5
164.04738	0.9
165.09085	1.1
166.99756	1.0
169.01305	4.2
169.12224	1.8
170.01634	0.5
179.05545	0.6
179.10616	1.1
181.12257	7.5
183.10187	27.4
184.10483	1.4
185.10645	0.4
195.13786	1.1
197.11801	1.0
199.13301	2.2
205.12294	5.3
207.10252	0.5
223.06104	1.6
223.13373	1.0
225.11279	10.0
226.11661	0.8
243.12321	10.0
244.12611	0.6
245.00784	0.5
247.02380	0.6
267.12393	0.6
285.13409	3.3
299.99005	1.2
300.99866	2.5
345.15509	1.9
387.16611	0.6
405.17560	1.9
593.29980	3.2
611.30713	100.0
612.31042	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	611.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.9
70.14394	2.7
71.01244	1.4
78.95777	17.1
79.95601	3.7
80.96432	0.7
96.95892	100.0
96.96819	24.8
98.02357	1.3
98.20621	0.9
98.90598	1.6
116.98569	0.8
118.96519	1.9
121.63744	0.7
132.98064	1.2
189.00722	1.6
194.60667	0.8
223.85086	0.7
231.91058	0.7
243.01808	0.8
253.09225	1.2
264.45886	0.7
277.21695	8.6
291.03998	1.6
307.19131	0.8
333.05249	1.8
344.13968	0.7
351.06033	8.3
407.17355	1.0
551.25110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22123	0.5
59.01263	0.7
59.03653	0.5
69.25003	4.3
69.25411	0.9
71.01247	0.8
78.51628	0.4
78.95777	17.9
79.95608	4.5
84.95796	0.5
96.95892	100.0
96.96821	26.2
98.02360	2.2
101.81110	0.6
118.96514	1.3
140.49289	0.6
141.51038	0.5
147.28996	0.5
189.00661	0.6
201.00534	0.5
211.77582	0.6
231.37563	0.5
253.09290	0.9
277.21716	7.7
278.22021	0.6
291.04022	1.5
351.06076	3.7
407.17493	0.8
424.89563	0.6
551.24878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.6
61.98693	3.6
62.31403	1.4
65.06052	1.2
67.01771	1.8
69.98823	1.3
71.01268	7.1
71.56889	2.2
72.99160	1.8
73.02789	1.9
78.95773	5.8
79.95623	1.9
83.01271	2.3
85.02828	2.4
87.00762	1.6
89.02314	3.0
95.01268	2.9
96.95872	5.5
101.02319	4.4
107.01251	4.4
111.00802	2.9
111.40608	1.4
113.02335	2.5
123.00775	15.2
125.02330	18.2
130.50641	1.4
136.98651	1.7
139.00262	3.7
139.11189	3.9
140.01019	4.1
141.01846	2.3
151.00275	6.9
152.99478	5.5
166.99776	1.6
168.00540	3.6
168.20157	1.6
169.01344	26.4
170.74632	1.4
178.15416	1.4
183.10190	6.0
205.12241	1.5
211.02446	6.4
223.00095	2.2
225.11295	2.0
241.01241	1.5
271.04550	4.6
298.98187	2.1
299.99234	2.8
300.99982	7.0
456.27832	1.3
474.30316	1.4
501.54877	1.5
552.87714	1.4
611.30640	100.0
612.30988	16.6
631.01483	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	609.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56300	0.4
59.01251	4.4
69.82534	3.0
75.05757	0.6
75.53931	0.5
76.15430	0.4
92.51243	0.5
95.04899	34.4
96.05245	0.9
98.20396	1.0
130.38908	0.5
150.02890	1.3
152.16815	0.5
173.10190	0.5
179.14317	1.3
181.92621	0.4
189.05215	1.5
195.13835	11.8
196.14389	1.5
205.12209	1.2
205.15956	0.8
211.13258	0.7
223.13365	8.4
224.13879	0.8
228.13492	0.7
246.12288	12.1
247.12563	0.7
256.13104	1.5
265.21732	0.7
266.95938	0.4
275.20187	4.0
278.11331	70.4
279.11752	4.0
280.11597	0.5
293.21213	100.0
294.21527	9.3
315.19385	28.5
316.19696	2.6
326.33527	0.5
471.26001	0.7
572.31982	3.1
573.32452	1.2
609.41229	11.6
610.41583	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	611.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	56.9
71.14594	72.8
78.95774	58.2
88.96146	43.1
94.02696	43.2
94.88611	38.4
96.43488	48.8
96.95868	100.0
110.66060	34.6
112.56721	48.3
118.18933	42.4
249.90717	37.8
373.28238	40.8
386.85275	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	41.8
60.74189	1.3
69.82510	6.5
95.04889	4.1
96.95918	1.4
98.72175	1.3
109.06466	2.4
121.10114	31.2
122.10463	1.4
127.11130	1.8
153.08994	1.3
171.10181	83.9
172.10530	3.5
185.11731	3.3
207.10013	2.3
209.07864	1.4
225.81395	1.4
231.21106	4.1
275.20160	98.0
276.20444	7.8
278.11359	12.0
293.21222	100.0
294.21567	9.2
297.18231	3.1
315.19409	57.9
316.19763	4.9
329.17255	2.5
359.18405	14.5
365.18597	1.9
483.41107	1.6
487.29758	2.0
549.17517	1.7
609.41223	92.3
610.41504	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03323	1.2
58.00451	1.5
59.01251	30.3
60.99173	1.1
61.84973	0.6
61.98708	5.9
63.96116	6.5
69.43707	4.8
71.01251	25.8
72.99182	3.0
73.02818	3.6
74.98984	0.6
75.00732	3.4
78.95791	0.7
79.95607	21.8
80.96387	2.9
83.01279	4.3
83.78569	0.6
85.02824	8.7
85.99983	1.1
87.00744	4.4
87.67780	0.5
88.00302	1.1
88.03908	3.2
88.98682	7.7
89.02318	12.3
95.01271	1.9
96.95889	2.8
97.02827	0.8
99.00777	1.6
101.02324	15.4
104.13860	0.7
107.01266	1.1
111.00784	1.5
113.02337	8.1
115.00244	1.2
119.03371	3.6
123.00806	1.0
125.02337	3.1
132.02948	2.2
151.00305	0.8
151.11230	0.6
154.69115	0.6
169.01244	3.6
179.05525	0.9
180.36502	0.6
183.13885	1.1
253.09355	0.9
285.20761	2.8
291.19879	0.8
293.21399	0.7
299.99341	1.2
300.02628	0.7
300.99902	1.5
301.03073	0.6
429.25128	3.8
447.25967	23.6
448.26474	2.1
489.41296	0.8
549.32642	4.8
591.29950	0.9
609.31604	100.0
610.31769	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	609.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03323	1.2
58.00451	1.5
59.01251	30.3
60.99173	1.1
61.84973	0.6
61.98708	5.9
63.96116	6.5
69.43707	4.8
71.01251	25.8
72.99182	3.0
73.02818	3.6
74.98984	0.6
75.00732	3.4
78.95791	0.7
79.95607	21.8
80.96387	2.9
83.01279	4.3
83.78569	0.6
85.02824	8.7
85.99983	1.1
87.00744	4.4
87.67780	0.5
88.00302	1.1
88.03908	3.2
88.98682	7.7
89.02318	12.3
95.01271	1.9
96.95889	2.8
97.02827	0.8
99.00777	1.6
101.02324	15.4
104.13860	0.7
107.01266	1.1
111.00784	1.5
113.02337	8.1
115.00244	1.2
119.03371	3.6
123.00806	1.0
125.02337	3.1
132.02948	2.2
151.00305	0.8
151.11230	0.6
154.69115	0.6
169.01244	3.6
179.05525	0.9
180.36502	0.6
183.13885	1.1
253.09355	0.9
285.20761	2.8
291.19879	0.8
293.21399	0.7
299.99341	1.2
300.02628	0.7
300.99902	1.5
301.03073	0.6
429.25128	3.8
447.25967	23.6
448.26474	2.1
489.41296	0.8
549.32642	4.8
591.29950	0.9
609.31604	100.0
610.31769	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28650	2.2
52.29178	2.1
59.01229	3.0
69.77987	14.7
78.02442	2.1
83.01237	2.1
96.95867	9.8
101.51727	2.3
109.02806	3.5
113.87009	2.5
123.00727	3.6
125.02351	4.3
127.37762	2.2
133.02850	10.7
135.04448	2.7
143.98154	2.4
167.04956	2.1
169.01276	7.5
175.03911	3.6
177.01782	3.2
177.05490	2.8
201.01970	2.7
213.05342	2.6
254.05386	2.1
255.03163	2.2
273.00296	2.7
285.04315	2.5
297.03992	9.7
298.04794	27.2
299.02005	2.2
299.05399	6.6
299.99347	2.3
300.99869	5.1
301.03442	4.3
309.03958	9.9
311.05695	7.4
312.06464	11.5
313.07150	10.5
327.05042	9.9
339.05054	21.4
341.06494	8.3
351.04651	2.8
353.06686	4.7
357.06009	3.0
369.06128	66.8
370.06393	7.1
381.05997	6.4
383.07718	2.7
399.07162	49.2
406.47333	2.5
411.07132	8.2
429.08112	13.4
438.94263	2.8
441.07629	3.4
463.41785	2.5
489.10376	36.8
490.10794	5.0
519.11566	11.3
585.65192	2.6
600.09589	2.3
609.14557	100.0
610.14703	17.4
636.67462	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02261	0.7
65.00195	1.8
69.24641	5.5
91.93356	0.5
98.20670	1.0
98.58069	0.5
107.01269	1.9
108.02065	1.2
109.02814	0.8
121.02837	1.1
125.02374	0.6
128.46107	0.5
135.00729	0.9
148.01553	1.1
151.00273	8.9
163.00279	1.9
164.01085	0.8
169.01344	0.8
178.99757	5.4
187.03807	0.6
199.03955	0.9
211.03882	0.9
216.04269	0.9
226.02739	1.1
227.03452	2.5
241.30510	0.5
243.02950	10.2
244.03510	1.0
245.04486	0.6
254.02246	2.9
255.02960	25.9
256.03317	1.7
271.02469	58.8
272.02911	5.1
273.04187	0.8
283.02588	0.6
299.01978	1.9
300.02734	100.0
301.03418	29.6
302.03860	1.9
368.71948	0.5
609.14587	89.1
610.04919	0.7
610.14911	13.4
620.93402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67694	0.9
59.01253	9.3
67.10435	1.1
70.99818	2.0
71.01251	4.7
85.02770	1.3
89.02314	2.7
101.02315	2.7
115.06342	1.0
121.02898	1.1
127.22667	1.2
133.02849	15.5
134.03589	4.4
149.02278	1.5
154.14279	1.1
163.00296	4.3
165.01817	2.3
173.02341	1.5
175.00243	4.0
175.03891	2.2
192.41377	1.0
201.01851	2.0
225.05492	1.3
227.03458	1.6
236.63390	1.0
241.05028	1.2
253.04988	2.4
265.05118	1.2
269.04541	3.8
270.05292	2.2
281.04654	2.4
282.05252	2.6
284.03262	5.1
285.04028	12.8
297.04013	22.0
298.04791	86.1
299.05399	8.6
309.04034	30.7
310.04373	4.4
311.05545	4.3
319.75449	1.1
325.03589	4.0
326.03992	2.6
327.05072	22.7
330.03723	2.9
337.03448	1.3
338.04297	3.2
339.05084	9.2
341.06552	1.8
351.05206	3.5
353.02808	1.8
357.06119	8.3
369.06113	2.7
371.07498	1.2
381.06177	1.4
385.05496	1.2
411.07227	1.7
429.08194	33.9
430.08417	3.8
446.08405	1.1
447.09573	1.1
489.10376	32.2
490.10648	3.9
591.14185	1.9
609.14569	100.0
610.14880	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31386	1.0
59.01261	5.2
71.01239	2.9
71.56126	1.1
85.02820	1.1
89.02326	1.7
96.95892	0.9
109.02819	1.9
115.00245	1.0
119.04959	1.3
120.04836	0.9
121.02850	1.3
123.00728	1.5
125.02351	2.7
131.01326	2.5
133.01358	6.7
133.02840	22.4
135.04451	1.2
142.85234	1.1
149.47154	1.0
157.71722	1.0
161.02379	2.0
163.00258	2.1
163.03912	4.4
169.01350	1.2
173.02321	3.2
175.00276	9.3
175.03874	1.9
177.01854	1.4
178.77716	1.0
191.03499	1.3
193.01308	1.1
201.01836	1.4
209.06026	1.6
227.03387	1.8
237.05573	1.7
239.03554	1.0
241.05104	1.1
253.05217	1.2
255.02885	1.1
256.03195	0.9
261.55426	1.0
263.03616	1.0
265.05011	2.7
267.03046	4.5
269.04446	1.0
281.04587	1.6
284.03268	7.3
285.04041	8.8
288.86832	1.1
297.04025	15.3
298.04764	13.1
299.05612	15.8
300.99893	1.7
309.04041	96.5
310.04330	7.6
311.05582	3.3
327.05081	100.0
328.05377	8.8
339.05087	4.3
341.31760	0.9
351.05142	1.2
357.06146	56.2
358.06537	5.5
369.06235	3.9
393.06055	2.0
429.08237	43.6
430.08652	3.2
449.10992	2.1
460.19043	1.2
476.19867	1.0
489.10336	30.6
490.10831	2.8
609.14618	64.3
610.14679	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07307	0.3
59.12992	0.3
61.39910	0.3
63.02264	0.7
63.38605	0.3
65.00188	1.8
69.42496	0.8
69.42916	1.5
83.01254	1.2
90.23631	0.3
91.01776	0.4
93.03338	0.3
97.24384	0.3
98.20516	0.6
107.01273	2.9
108.02052	1.3
109.02815	1.0
119.01247	0.5
121.02833	1.3
123.00723	0.8
125.02309	1.2
133.02861	0.4
135.00761	0.9
145.02788	0.3
145.67584	0.3
148.01561	2.2
149.02293	0.4
151.00261	10.8
152.00888	0.4
153.01804	0.6
163.00272	2.3
164.00986	0.9
169.01398	1.9
178.99774	5.9
187.03879	0.4
190.02544	0.4
190.99826	0.5
191.03545	0.5
198.03024	0.3
199.03920	0.7
211.03923	1.1
214.02682	0.4
215.03427	0.5
216.04204	0.5
226.02643	1.8
227.03438	3.3
229.04958	0.7
239.03365	0.4
243.02951	12.8
244.03407	0.9
245.04546	1.0
254.02145	2.4
255.02946	31.2
256.03320	2.3
271.02457	67.6
272.02921	6.2
273.03876	1.1
283.02560	0.8
299.01898	2.0
300.02722	100.0
301.03387	25.8
302.03888	1.7
331.61978	0.3
343.04510	0.8
443.73535	0.4
609.14557	69.2
610.14905	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	605.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92904	0.3
54.75786	0.2
59.01250	0.8
60.04580	0.3
62.51141	0.3
63.88623	0.3
69.46703	1.2
69.47137	1.2
79.68176	0.3
80.02557	0.3
87.53100	0.3
88.98645	0.5
93.03332	5.2
95.04908	0.5
97.06500	0.5
102.38733	0.3
116.05296	0.3
119.04930	0.6
121.06441	0.3
125.05997	0.8
127.07495	0.3
148.01321	0.3
148.08830	1.4
150.10440	1.3
151.11214	0.7
163.11241	1.3
165.12762	26.4
166.13089	1.4
169.00969	0.3
175.11209	0.7
176.11961	0.7
177.12811	0.5
187.03607	0.3
191.14365	0.8
205.12685	0.3
217.15948	0.5
244.10771	6.2
245.11110	0.5
245.18985	0.5
247.20648	14.6
248.20976	1.1
273.18585	6.0
291.19659	100.0
292.20023	8.4
295.16748	0.4
313.17844	23.8
314.18286	1.7
361.21182	0.3
605.38232	30.5
606.38477	5.3
606.48254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01830	0.4
66.86572	0.4
124.84211	0.4
168.10655	0.5
229.83818	0.5
277.99637	0.5
415.15662	0.8
430.18173	1.7
443.18918	0.7
444.20166	0.5
457.20297	1.6
459.18076	3.9
470.21646	0.7
471.18155	1.4
472.18970	0.8
473.19644	4.3
474.20163	0.6
485.18576	2.5
485.24689	0.7
486.20901	2.4
487.21082	1.4
499.17651	2.4
500.17145	0.6
501.23807	2.8
502.20343	0.9
503.20804	0.8
511.21332	2.8
513.19110	2.7
514.20154	7.6
515.20435	1.2
517.18756	0.6
518.19525	1.6
529.22443	100.0
530.22791	17.5
532.21130	2.0
533.21808	1.9
534.21381	0.5
561.24915	1.1
573.21240	1.0
605.24115	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	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17760	0.2
59.01239	0.2
65.34203	0.2
70.89928	0.6
79.88033	0.2
94.79106	0.2
106.06503	0.6
110.42106	0.2
119.72424	0.2
120.04490	0.3
162.05472	0.4
163.84662	0.2
171.10138	0.2
178.58229	0.2
207.09404	0.2
210.62999	0.2
251.83594	0.2
303.09344	0.2
394.11780	0.3
401.17722	0.3
415.15628	0.5
416.16705	0.8
428.16614	0.6
429.16968	1.3
430.18085	1.4
431.18149	0.3
442.18246	0.3
443.19348	0.6
444.19028	0.7
449.68530	0.2
455.19003	0.4
456.15509	0.3
457.20880	2.0
458.20895	0.6
459.17743	3.0
460.18527	0.4
461.23645	0.5
468.20068	0.3
469.20251	0.3
470.16638	0.3
470.21884	0.4
471.18286	2.1
472.18835	0.7
473.19742	5.2
474.20157	1.1
475.21484	0.5
485.19617	1.8
485.23801	1.1
486.20807	4.3
487.21472	1.5
496.18982	0.7
497.19669	0.3
499.17487	2.0
500.18237	0.6
501.23798	3.0
502.20306	0.9
503.21216	0.3
511.21280	2.7
512.21503	0.6
513.19287	2.8
514.20001	8.9
515.20355	1.5
517.18652	0.7
518.19543	1.7
519.20422	0.3
528.21667	0.8
529.22406	100.0
530.22772	18.4
530.31049	0.4
532.20911	1.8
533.21851	2.2
534.21454	0.3
561.25067	1.0
573.21173	1.0
605.23749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.6
61.98695	2.7
69.56776	0.6
69.57072	5.9
70.14279	0.7
71.01263	1.1
78.95773	1.5
91.01778	3.0
93.03304	1.0
95.01254	1.6
96.95889	7.7
96.96815	1.3
98.19799	1.7
108.02068	2.4
109.02819	1.2
116.37836	0.8
119.01273	3.4
121.02814	1.9
124.01513	1.0
125.02357	1.9
131.01266	4.4
133.02794	1.1
135.04401	1.6
137.02339	1.6
145.52087	0.7
147.00771	20.1
148.01575	4.1
149.02373	1.7
151.03902	1.3
152.99405	1.2
159.00781	3.5
163.03882	1.8
165.01796	1.8
169.01302	1.3
175.00290	18.4
176.01053	20.6
177.01859	1.9
179.03427	2.9
182.35910	0.7
190.02600	2.2
190.99805	2.6
191.03418	8.9
192.00577	3.2
192.03679	0.7
202.99789	32.8
204.00221	1.7
205.01320	1.1
207.02913	3.5
209.00841	2.6
215.03653	0.8
217.00143	1.4
218.99321	2.2
220.00087	0.9
221.00827	7.2
235.02431	20.5
236.02756	0.9
246.98799	60.7
247.99158	4.0
279.01447	100.0
280.01804	6.1
288.02914	1.0
300.99890	0.9
429.12247	1.0
573.16058	2.7
605.18573	6.8
606.18518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.5
69.26324	0.4
71.55471	0.6
87.12738	0.4
90.71265	0.4
92.92729	0.4
98.98991	0.7
101.60729	0.4
107.01255	1.3
111.00773	0.7
111.36614	0.4
112.93630	0.7
123.00768	1.8
124.01548	1.7
125.02334	3.8
126.98514	0.5
131.88315	0.4
139.03938	0.6
151.00310	2.9
166.99664	0.4
168.00511	0.7
169.01329	4.2
182.97568	0.5
194.97523	0.7
195.98378	0.5
196.99078	0.9
200.98532	0.7
201.01860	0.5
247.00555	1.0
259.00629	1.6
269.00934	1.1
275.00006	0.8
287.00110	1.4
300.99936	0.7
301.98859	0.6
302.99731	0.9
313.05475	0.5
329.03000	2.7
329.98367	7.7
330.99152	100.0
331.99570	8.2
362.01144	1.3
363.01733	8.5
364.02161	1.0
453.10364	10.6
454.10504	0.7
493.04507	1.9
525.07056	64.6
526.07343	7.6
536.32385	0.5
605.02759	4.4
605.11237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.2
60.99165	3.2
68.57600	0.8
71.01255	1.6
78.95762	1.1
82.53022	0.8
87.00749	6.4
88.00283	7.1
88.98676	17.7
89.02313	100.0
89.18970	0.8
90.02631	1.3
99.00771	0.9
103.91924	5.7
108.91414	0.9
114.94727	0.9
122.89300	8.5
131.55629	0.7
141.91168	1.0
148.90880	26.6
152.99521	1.0
162.92477	1.6
171.10208	0.7
172.90891	1.0
174.92470	2.0
176.90395	2.6
178.92020	1.3
180.93529	3.9
184.95401	1.1
185.79889	0.8
190.91965	2.4
202.91995	0.9
203.09933	0.8
218.91579	0.8
229.82709	1.1
250.94102	1.5
251.79218	0.9
277.21765	2.0
290.93808	1.3
320.94803	1.3
322.96283	7.2
324.97794	20.7
325.98111	1.0
339.00183	2.6
342.98782	8.7
359.20807	0.8
567.22717	1.5
603.20294	17.3
604.19794	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06951	1.4
55.89243	1.3
59.01248	4.2
60.99184	8.0
65.57961	1.2
71.56892	1.8
76.47918	1.1
78.95789	2.0
87.00751	4.7
88.00272	8.2
88.98676	55.5
89.02312	100.0
89.98970	1.2
103.91899	3.1
122.89310	3.8
134.15216	1.5
148.90912	9.8
155.21434	1.3
162.92459	1.8
171.10254	1.5
176.90468	1.5
237.04985	1.6
322.63412	1.6
322.96359	2.5
324.97751	9.4
342.98807	2.8
603.20599	8.0
604.20215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16387	3.3
59.01244	49.3
61.98696	5.6
69.03313	4.5
69.53915	23.0
71.01244	14.6
75.00728	3.4
83.01255	6.3
87.00745	3.8
88.98703	3.7
89.02306	12.2
96.95880	20.0
97.02838	5.1
98.19839	6.3
101.02325	14.0
104.79568	2.9
113.02322	8.1
113.29707	3.2
119.03407	3.7
123.00768	4.9
123.08038	3.9
125.02328	5.7
125.09602	8.2
135.97325	3.0
137.09627	11.0
161.04478	3.1
163.11163	7.7
169.01321	3.9
171.10179	5.4
185.11778	5.2
191.14377	12.7
207.10188	6.6
209.11798	27.4
225.11284	5.4
227.06056	8.5
237.11150	4.4
245.19080	18.6
253.09259	45.4
254.09612	3.2
263.20026	5.0
269.07166	25.8
270.07297	3.2
289.18091	95.2
290.18317	8.6
300.99854	5.6
301.10571	3.2
307.19150	100.0
308.19482	8.7
327.21796	4.6
331.17511	4.0
348.65106	3.0
439.20163	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
61.98713	0.9
71.01262	2.0
73.87545	0.5
78.95794	1.6
79.95650	0.6
89.02322	0.7
92.61687	0.5
93.03362	3.6
95.01264	1.6
96.95897	2.5
101.02330	1.0
107.01279	1.1
109.02848	0.9
117.55392	0.6
119.01271	0.6
121.02845	8.1
122.03625	12.2
123.00767	2.9
125.02351	7.2
126.02654	0.6
133.02850	1.9
135.04488	1.3
136.01553	1.3
137.02362	2.1
145.02831	0.7
149.01093	0.6
149.01299	0.4
149.02348	23.1
150.03134	85.4
151.00296	0.6
151.03494	3.4
152.99524	1.4
161.02455	0.7
164.04688	5.2
165.01865	7.3
165.05490	100.0
166.06212	10.8
166.99745	1.5
169.01326	7.5
170.01740	0.9
175.03911	0.9
177.01924	1.0
177.05580	0.9
179.03416	5.8
180.04193	10.5
181.05000	7.2
181.08603	7.1
182.05765	0.9
187.00302	0.7
189.01884	0.7
192.03958	0.6
194.05812	1.5
195.06567	91.2
196.07199	8.1
197.08020	1.2
203.03484	0.6
210.05336	0.6
211.09702	5.6
214.99913	0.7
223.00101	0.7
225.07599	4.4
229.01273	0.7
247.02620	0.8
270.99008	0.7
271.02365	0.7
275.01947	0.7
287.01938	0.9
287.22290	0.9
299.99054	1.1
300.99951	4.6
301.10965	0.8
311.09708	0.7
315.39053	0.7
326.11618	0.8
329.10220	6.6
330.10464	0.7
341.13940	2.0
343.11804	5.5
344.12582	6.1
359.14981	28.0
360.15359	3.0
373.12982	2.0
407.17096	2.3
421.14896	1.5
423.90149	0.7
451.12274	0.9
463.08829	0.9
533.13190	0.7
544.82727	0.7
555.22266	4.2
603.11664	0.6
603.27637	1.7
614.19507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.8
59.01251	2.9
63.14992	1.9
63.61623	1.7
64.72284	1.6
69.03334	1.7
75.67052	2.1
83.07592	1.6
95.04907	2.8
97.02814	3.0
112.05183	2.2
123.04401	2.7
123.08066	2.5
125.09615	7.6
135.08018	4.1
137.09691	3.1
141.05464	5.6
153.09125	11.5
153.70299	1.7
163.11234	8.6
171.10170	14.6
181.12247	3.7
185.11740	6.2
191.14378	8.9
195.13864	6.1
197.11784	2.8
207.10170	4.4
209.11787	5.2
210.60571	1.7
213.56767	1.5
223.13362	3.9
225.11334	3.8
227.18092	1.9
245.19084	20.7
246.19498	2.0
271.16907	2.7
275.20090	2.0
282.68765	1.6
289.18076	89.3
290.18463	7.7
293.21182	54.5
294.21558	4.5
307.19122	100.0
308.19565	8.5
325.20126	30.0
326.20511	3.3
359.16891	1.7
565.39154	3.3
583.39899	4.3
601.41058	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	603.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
65.00214	1.0
67.68472	0.7
69.29962	2.0
69.30371	5.8
78.95780	2.3
93.03333	4.9
95.01258	1.1
96.20100	0.8
96.95889	37.4
96.96840	2.0
98.20499	1.7
102.52763	0.8
107.01229	1.2
108.86578	0.9
109.02799	1.2
121.02840	19.5
122.03635	13.1
123.00774	3.0
125.02332	7.7
133.02863	1.8
134.03658	1.7
135.04401	1.2
136.01556	2.0
137.02364	6.0
147.00816	1.3
149.02348	37.1
149.05986	1.3
150.03134	85.4
151.00281	1.7
151.03458	3.9
152.99515	0.9
164.01041	1.0
164.04712	10.1
165.01846	28.6
165.05489	100.0
165.14906	0.8
166.02373	1.3
166.06268	54.0
166.99724	1.6
167.06863	3.7
169.01321	7.3
177.01799	1.9
178.99721	0.9
179.03448	7.3
179.06996	1.7
180.04210	26.3
181.04872	2.6
181.08624	32.2
189.01875	1.1
193.01411	1.2
194.05754	2.1
195.06561	93.3
196.06947	6.0
196.08597	1.1
203.03471	0.9
205.04901	1.5
210.05247	4.4
211.02403	2.1
213.50755	0.9
222.03589	0.8
223.62851	1.0
225.07632	32.2
226.07986	2.1
270.98999	1.0
271.04642	2.6
287.01883	1.1
296.06812	1.1
299.08948	1.0
299.77167	0.8
300.02460	1.1
300.99875	2.5
302.81830	0.9
305.02930	1.9
316.02206	2.8
317.02707	1.4
329.10297	4.7
331.06674	0.9
343.11777	4.6
344.12296	2.6
359.11157	1.8
359.14978	8.4
373.12906	37.9
374.13190	3.8
399.00348	0.9
407.17117	1.9
421.15076	7.0
463.08734	2.6
521.19971	1.1
555.22211	18.6
556.22638	2.1
567.13464	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	601.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29641	0.2
59.01240	1.3
60.33335	0.2
61.98701	1.8
69.42564	1.9
70.74895	0.2
71.01247	0.9
73.02811	0.5
78.95780	3.7
79.95616	2.9
80.96426	0.5
85.02834	0.5
89.02304	0.5
96.95890	100.0
96.96783	6.4
97.95811	0.4
98.02351	1.3
101.02328	0.6
113.02294	0.3
119.03373	0.2
123.00745	0.3
125.02349	1.0
169.01318	1.0
171.10277	0.4
171.50713	0.2
211.13289	0.3
239.13205	0.2
245.86411	0.2
300.99850	0.5
333.17517	0.4
349.20715	0.3
363.18405	0.3
379.21545	0.7
447.06638	0.2
449.27829	0.6
541.26648	2.2
542.27240	0.4
601.19910	0.3
601.28442	1.4
602.29706	0.3
628.83722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.4
61.98693	0.8
71.01258	1.4
71.10491	0.2
73.02824	0.3
78.95776	3.1
79.95609	3.5
80.96384	0.5
85.02822	0.5
89.02319	0.5
96.95892	100.0
96.96780	4.6
97.95824	0.4
98.02354	0.8
98.19849	0.5
101.02328	0.8
113.02341	0.6
119.03400	0.3
123.00756	0.3
125.02354	0.6
125.64666	0.2
152.99477	0.2
169.01384	0.6
171.10252	1.0
179.05513	0.3
211.13333	0.7
300.99985	0.4
303.12820	0.2
347.19116	0.6
349.20419	1.1
379.21631	1.0
541.26917	3.5
542.27203	0.7
601.29224	0.5
601.35974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72108	0.3
59.01242	0.7
63.02273	2.0
65.00191	3.5
69.42361	1.3
69.42789	1.1
81.03346	0.4
83.01254	2.6
98.86045	0.3
107.01270	8.7
109.02838	7.0
119.01280	0.4
122.69895	0.3
123.00780	0.7
124.01608	0.5
125.02338	3.0
135.00731	0.4
137.02339	18.9
138.02611	0.4
151.00270	30.4
152.00667	1.1
155.03383	0.5
163.00253	2.2
164.00967	0.5
165.01820	1.6
169.01346	3.2
173.37863	0.3
178.99783	26.6
180.00092	0.8
183.04378	0.4
187.03918	0.4
189.05392	0.3
190.99826	0.9
192.00632	2.1
193.01329	0.9
199.03954	1.1
203.03517	0.4
214.02696	0.5
215.03380	0.6
227.03372	1.7
228.03912	0.3
243.02963	1.7
245.04561	0.7
255.02991	0.5
259.02509	0.4
261.03958	0.8
270.01602	0.4
271.02451	4.4
275.02036	0.3
287.01974	1.3
288.02060	0.4
289.03439	0.8
299.01917	1.3
315.01474	0.4
316.02249	3.3
317.02985	100.0
318.03339	7.6
449.07266	3.3
450.07416	0.5
601.08325	15.6
602.08594	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	601.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.1
60.01583	1.9
61.98702	25.1
62.28791	0.9
63.02265	1.4
65.00195	2.6
71.01246	2.4
71.56197	1.8
75.36456	0.8
79.01737	1.1
79.95606	1.5
83.01252	2.3
84.62917	0.8
85.02827	1.2
89.02330	2.3
95.01259	2.5
96.95886	2.7
101.02353	1.3
107.01275	10.3
108.02110	1.0
109.02853	3.8
117.03308	1.6
122.03584	1.0
123.00754	7.1
124.42776	0.9
125.02338	12.1
136.01555	1.6
137.02350	15.4
138.02995	1.1
139.00299	1.2
145.02834	2.1
149.02367	1.2
150.03148	2.1
151.00276	27.6
152.01004	3.3
156.75243	0.9
161.02379	2.3
163.00261	1.8
164.01038	2.0
165.01845	2.7
165.05568	1.7
166.99754	3.5
169.01341	19.5
170.01747	2.1
178.02675	1.8
178.99782	24.0
181.04993	1.6
191.03447	1.3
192.00577	2.0
193.05014	1.4
195.06497	1.3
196.07352	1.7
203.03464	1.0
211.09714	2.8
213.10179	1.2
214.99883	1.1
229.01285	1.6
232.03677	1.6
245.00934	1.8
257.00903	1.0
259.02542	0.9
270.98956	1.7
271.02380	1.9
273.00250	2.5
287.01813	1.7
299.99130	2.2
300.02380	1.1
300.99844	8.1
302.00198	2.1
315.01840	1.3
316.02167	10.6
317.03003	73.7
318.03403	5.3
378.23517	1.1
379.24658	1.3
411.15311	1.1
449.07233	100.0
450.07651	9.4
601.08002	2.1
601.28711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.1
61.98689	2.3
63.02264	2.1
65.00181	3.8
83.01257	3.7
92.45177	0.8
95.01283	1.5
96.95866	1.6
98.20657	1.5
107.01273	10.9
109.02830	4.8
111.00789	1.3
123.00757	2.4
124.01572	0.8
125.02325	9.9
126.02599	0.8
136.01514	1.2
137.02342	17.7
138.02780	0.7
139.00282	0.8
150.03078	2.0
151.00269	36.7
152.01004	3.0
159.04460	1.3
163.00298	1.5
164.01031	2.1
165.01837	2.1
165.05498	2.3
166.99750	1.6
169.01346	13.6
174.11606	0.8
178.99780	34.6
179.03313	1.1
180.00148	1.8
181.05043	0.9
187.00146	0.9
192.00555	2.1
193.01263	3.0
195.06601	1.2
203.03371	1.5
217.01466	0.8
229.70929	1.0
231.02882	3.1
243.02982	1.1
245.00713	1.2
257.01007	0.8
259.02399	2.3
271.02502	3.2
275.01929	3.0
278.60367	0.7
287.02060	1.6
300.99921	2.7
303.01382	4.4
316.02228	12.9
317.02991	100.0
318.03329	6.7
357.13620	0.9
449.07227	90.1
450.07440	8.5
463.08746	1.2
601.08282	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	599.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31091	2.0
57.03317	4.4
59.01249	33.3
61.98698	6.6
64.17624	1.6
69.03326	3.5
71.01250	53.8
73.02820	15.0
75.00742	3.6
78.91748	2.5
78.95784	2.3
79.95605	2.9
80.96356	2.0
83.01244	8.3
85.02816	17.9
87.00761	5.2
87.04391	100.0
89.02318	12.8
95.01230	6.6
96.95865	12.6
97.02814	3.8
99.00728	4.2
101.02319	34.5
107.01257	4.5
111.00771	2.5
111.83567	1.8
113.02332	18.7
119.03372	5.3
121.02826	2.2
123.00767	7.2
125.02330	20.7
139.00209	2.5
143.03427	2.3
151.00203	4.3
159.02893	2.5
161.04424	11.9
166.99776	7.5
169.01364	18.8
171.10179	3.3
173.83899	2.0
175.03979	2.2
178.99832	2.1
179.05394	2.3
209.11702	3.8
217.01138	1.9
241.09819	2.3
243.02916	1.9
245.06480	1.9
255.02969	6.7
271.02435	15.4
285.03955	2.9
292.67145	2.4
299.99350	2.8
300.02698	40.0
300.99820	8.3
301.03323	12.5
307.17477	5.4
315.05072	42.9
316.05231	3.5
377.21753	9.5
447.09283	17.2
451.21817	44.5
452.21915	3.8
539.27008	42.8
540.27051	6.3
599.10120	2.4
599.33081	3.4
600.30096	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03771	8.9
56.67102	8.0
59.01252	60.2
65.35218	8.6
71.01261	71.1
71.55527	15.6
73.40813	9.1
75.00755	23.1
85.02824	11.4
89.02307	100.0
95.01287	10.9
95.29920	7.6
101.02320	26.9
113.02322	25.9
119.03391	32.2
123.00771	13.2
125.02369	35.5
127.99702	9.7
158.64052	10.3
169.01347	28.5
179.05585	48.5
182.97517	25.9
261.00589	11.2
264.58954	8.9
290.78455	10.6
300.99979	43.2
599.06567	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	599.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81694	0.4
51.35019	0.4
52.92290	0.4
59.01292	1.2
61.98690	2.1
63.02309	0.7
65.00243	1.2
69.55540	0.8
69.55956	2.1
71.01302	1.2
73.02835	0.4
74.02403	0.6
80.96410	0.5
83.01304	1.4
85.02872	0.9
89.02376	0.9
93.03384	0.5
95.01332	1.7
96.95947	0.8
101.02393	0.7
107.01274	4.1
108.02126	1.1
109.02893	1.9
111.00811	0.5
116.03461	0.5
117.03349	3.4
119.04973	1.5
121.02850	2.6
123.00763	5.8
123.01501	0.4
124.01613	1.8
125.02346	5.2
129.11852	0.4
133.02852	0.6
135.00778	0.5
139.00351	1.5
139.03972	0.5
145.02858	16.3
146.03214	0.7
147.00832	0.5
148.01636	0.6
149.02377	0.5
151.00281	12.5
152.00751	0.5
153.01837	0.5
159.04501	0.9
160.01703	0.5
161.02388	1.1
162.03209	0.6
163.00270	2.8
163.03993	1.6
166.99846	1.6
169.01323	8.2
169.02544	0.5
170.01712	0.5
171.04533	0.6
175.03987	1.0
177.05476	0.9
178.99792	5.8
183.02921	0.7
187.00398	0.5
187.03951	0.7
189.01880	0.7
190.99815	0.6
192.00597	0.6
203.03465	0.8
211.03938	1.0
213.01758	0.5
214.99802	0.4
215.03369	0.6
226.02760	0.8
227.03452	2.4
229.05063	1.3
231.02951	0.5
243.02971	5.7
245.00890	0.7
245.04501	1.9
254.02135	1.3
255.02971	15.8
256.03439	1.3
271.02460	31.2
272.02911	2.7
273.00354	0.5
273.03995	0.8
275.02005	0.7
283.02408	1.7
285.04114	3.3
299.01920	1.2
300.02731	62.8
300.99985	2.6
301.03470	51.9
302.03882	3.5
307.08148	1.2
323.80728	0.4
389.49817	0.5
393.14447	1.5
447.09134	100.0
448.03873	0.8
448.09454	12.2
555.19800	0.5
599.14215	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	599.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.1
58.17790	0.1
59.00999	0.1
59.01256	0.3
63.02264	2.7
64.99841	0.1
65.00191	1.8
65.00516	0.1
65.03823	0.1
67.01745	0.3
68.99699	0.1
69.03331	0.2
69.32954	0.6
70.10851	0.1
71.01245	0.8
72.99194	0.1
73.02826	0.3
75.00745	0.1
79.01762	0.4
79.95564	0.1
81.03296	0.1
83.01255	2.6
85.02818	0.9
86.05247	0.1
87.00750	0.4
91.01765	0.2
93.03330	1.8
93.03912	0.1
93.84202	0.1
95.01249	1.1
96.95901	0.3
97.02835	0.2
99.00790	0.1
101.02324	0.6
107.01273	6.7
108.01530	0.1
108.02132	0.1
109.02840	0.7
109.99957	0.1
111.00761	0.7
113.02322	0.8
117.03350	0.5
119.01308	0.2
119.04920	0.2
120.02068	0.1
121.02831	0.3
123.00774	3.8
123.04398	0.3
124.01626	0.4
125.02336	8.2
126.02682	0.2
127.00262	0.2
130.04199	0.2
131.04929	0.3
133.02835	0.3
135.00781	0.6
136.01512	0.1
136.98698	0.5
137.02338	0.4
138.03168	0.1
139.00284	1.1
140.01048	1.0
141.01825	0.6
141.07034	0.1
143.04953	1.0
144.10152	0.1
145.02856	0.8
145.06482	0.1
147.00777	0.1
147.04411	0.1
149.02322	0.2
151.00270	10.9
152.00627	0.3
153.01857	0.6
154.04117	0.4
155.04999	0.3
157.02890	0.2
157.06479	0.6
158.03687	0.1
159.04420	1.0
161.02377	0.3
161.06001	0.1
163.00282	1.7
164.01073	1.3
165.01848	0.5
166.02585	0.2
166.99797	0.3
167.03484	0.1
167.04941	0.3
168.00548	1.2
168.05722	0.2
169.01335	15.3
169.06474	0.8
170.01665	0.6
171.04437	0.7
173.02332	0.3
173.05975	0.2
175.03928	0.1
179.03432	0.2
181.01320	0.1
181.36842	0.1
182.97464	0.1
183.02965	0.1
183.04416	0.3
184.05199	0.3
185.02441	0.1
185.06001	2.2
186.06316	0.2
187.03934	1.8
188.04375	0.1
189.05493	0.5
190.99728	0.1
191.03465	0.2
192.00620	0.2
193.01286	0.1
195.04483	0.4
196.00114	0.3
196.05205	0.2
197.06021	0.4
198.03151	0.2
199.03915	0.6
201.05478	0.5
203.03334	0.1
210.03067	0.1
211.02328	0.2
211.03978	0.9
212.04587	0.3
213.05492	2.0
213.07565	0.1
214.02628	0.4
214.05829	0.2
215.03398	0.3
217.05006	0.1
223.04024	0.2
224.04564	0.1
226.02765	0.1
227.03448	1.5
228.03918	0.3
229.05013	6.1
230.05342	0.4
239.03468	1.0
240.04311	0.5
241.05070	1.2
243.02960	0.3
255.02995	0.9
256.03455	1.0
257.04541	6.3
258.04913	0.4
267.02893	0.3
268.03741	0.1
284.03296	1.3
285.04028	100.0
286.04382	7.2
286.07706	0.1
295.04367	0.1
299.99020	0.1
300.99872	0.3
312.04907	0.2
313.05640	37.7
314.05994	2.4
316.01999	0.1
327.04956	0.1
447.09125	0.2
460.44022	0.1
599.10046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1041
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01233	0.5
63.01973	0.2
63.02269	2.1
65.00188	1.4
67.01753	0.3
68.99661	0.2
69.03322	0.3
69.52015	0.5
69.52438	0.5
71.01248	0.6
72.99181	0.1
73.02818	0.2
79.01749	0.2
83.01255	2.0
85.02806	0.8
87.00735	0.4
91.01773	0.1
93.03338	1.3
95.01257	1.1
96.95859	0.2
101.02320	0.4
104.14059	0.1
107.01267	5.6
108.01526	0.1
109.02821	0.3
111.00773	0.6
113.02300	0.7
115.53758	0.1
117.03343	0.2
117.84255	0.1
119.01250	0.2
121.02819	0.2
123.00777	3.5
123.04398	0.2
124.01555	0.5
125.02338	6.9
126.02657	0.2
127.00272	0.2
128.63542	0.1
131.04913	0.2
133.02864	0.3
135.00737	0.5
136.98672	0.3
137.02403	0.3
139.00276	0.9
139.03854	0.1
140.01036	0.7
141.01772	0.4
143.04955	0.8
145.02831	0.5
145.06459	0.2
147.04417	0.2
149.02333	0.2
151.00281	10.0
152.00650	0.4
153.01820	0.5
154.04112	0.4
155.04926	0.1
156.05699	0.2
157.06473	0.5
159.04436	0.8
161.02310	0.3
161.05785	0.2
163.00290	1.7
164.01073	1.3
165.01811	0.3
167.03394	0.2
167.04922	0.4
168.00562	1.2
168.05725	0.2
169.01338	12.6
169.06461	0.6
170.01634	0.5
171.04431	0.5
173.02280	0.4
173.05972	0.1
175.03897	0.2
179.03435	0.2
185.06001	1.9
187.03926	1.6
189.05467	0.5
192.00577	0.2
195.04457	0.5
197.05995	0.3
198.03152	0.2
199.03891	0.5
201.05443	0.5
211.02237	0.2
211.03932	0.8
213.05482	1.7
214.02551	0.3
215.03401	0.3
227.03455	1.0
228.03917	0.3
229.05020	5.1
230.05354	0.3
239.03413	0.9
240.04247	0.4
241.05045	0.8
243.02960	0.3
255.02959	0.7
256.03381	0.6
257.04538	5.4
258.04922	0.3
267.02811	0.3
284.03293	1.1
285.04022	100.0
286.04382	6.6
300.99719	0.2
312.04846	0.2
313.05637	39.6
314.06012	2.3
327.05414	0.2
447.09344	0.1
599.10022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94253	0.7
71.01279	0.2
71.83137	0.2
76.85173	0.2
107.01306	1.3
108.02070	0.7
109.73381	0.3
123.00741	0.5
125.02333	2.0
135.00740	0.4
139.00229	0.3
148.01588	0.5
151.00272	1.0
163.00313	0.3
166.99765	0.4
169.01346	2.4
193.28018	0.3
211.03993	0.4
216.04239	0.4
226.02721	0.7
227.03419	1.3
243.02975	4.4
244.03540	0.9
254.02159	1.6
255.02960	15.9
256.03391	1.4
271.02469	33.9
272.02954	3.4
273.00314	0.3
283.04611	0.7
299.01926	2.9
300.02728	100.0
301.00034	0.3
301.03082	7.8
309.03683	0.3
311.06662	0.3
315.05090	93.1
316.05411	7.2
359.15036	0.3
447.09283	31.1
448.09744	2.7
599.10400	12.8
600.10699	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	599.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61242	0.1
59.01244	0.1
63.01925	0.1
63.02263	2.5
65.00190	4.3
66.00548	0.1
69.53008	0.1
71.01248	0.2
71.56786	0.1
77.65965	0.1
78.16336	0.1
81.03307	0.1
81.40471	0.1
83.01255	3.2
84.01621	0.1
85.16127	0.1
91.01766	0.4
93.03326	1.2
95.01286	0.2
97.02760	0.1
107.01266	9.1
108.01500	0.1
108.02103	0.2
108.99201	0.2
109.02835	4.0
110.03152	0.1
111.00755	0.1
115.05386	0.1
118.44333	0.1
119.01280	0.7
121.02840	7.9
122.03188	0.3
123.00778	0.3
124.01542	0.2
125.02352	0.8
131.04938	0.1
133.02841	0.1
135.00774	0.6
135.04436	0.1
137.02361	0.2
139.03885	0.6
143.04898	0.1
145.02815	0.1
145.06517	0.1
146.03645	0.1
147.00777	0.2
147.04401	0.2
148.01591	0.4
149.02339	1.2
150.02690	0.1
151.00267	34.3
152.00566	0.9
153.01816	0.1
155.04929	0.1
157.06508	0.3
159.04413	0.9
161.02347	0.5
161.05965	0.2
162.03134	0.1
163.00276	4.0
163.03963	0.3
164.01070	0.6
165.01857	0.3
166.46428	0.1
167.04898	0.3
169.01346	2.7
169.02716	0.1
170.03668	0.1
171.04401	0.3
173.06012	0.4
174.03127	0.1
175.03940	0.5
177.01842	0.1
177.05487	0.1
178.99774	15.7
180.00089	0.6
182.03593	0.1
183.04440	0.8
184.05060	0.1
185.02373	0.2
185.06020	0.4
187.03920	0.9
188.04451	0.1
189.01906	0.2
189.05460	0.2
190.99820	0.4
191.03424	0.1
192.00543	0.4
193.01340	0.7
195.04517	0.2
196.00021	0.1
198.03163	0.1
199.03928	0.4
200.04413	0.1
201.05515	1.1
202.05994	0.1
203.03476	0.4
205.04977	0.3
210.03159	0.1
211.03941	1.7
212.04619	0.2
213.01837	0.3
213.05394	0.1
214.02594	0.2
215.03433	0.2
216.04129	0.1
217.05000	0.3
226.02664	0.1
227.03432	1.7
228.04025	0.4
229.05003	1.8
230.02121	0.2
230.05359	0.1
231.02975	0.2
239.03438	0.6
240.04102	0.2
243.02937	0.5
244.03104	0.1
245.04491	3.2
246.04874	0.1
255.02957	4.0
256.03558	0.7
257.04538	0.6
265.01505	0.1
266.02060	0.4
271.02472	1.1
272.03058	0.2
273.04031	2.5
274.04425	0.1
282.01706	0.1
283.02448	1.6
283.05548	0.1
284.02985	0.3
285.03854	0.2
297.06161	0.5
299.02008	0.3
300.02710	0.8
301.03503	100.0
302.03830	7.6
317.02963	0.1
447.09253	0.6
469.22656	0.1
599.10364	6.1
600.10535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82056	0.4
59.01242	1.6
61.98705	4.5
64.25439	0.4
65.00188	0.6
65.47349	0.4
67.17574	0.5
69.03310	0.7
69.25713	0.4
69.79472	1.6
69.79881	1.3
71.01246	2.1
71.22317	0.4
71.82719	0.5
72.99180	1.1
75.00745	43.3
81.03326	13.2
83.04894	38.4
84.05228	0.9
89.02311	2.4
95.01271	0.7
96.95864	0.7
100.07563	5.5
101.02299	1.1
107.01285	1.5
113.02325	0.6
119.03394	0.8
121.02838	0.8
123.00758	2.7
125.02357	4.9
126.05485	1.2
127.03928	0.5
145.04922	0.7
151.00224	2.4
163.00311	0.5
165.01779	0.9
166.99805	1.2
169.01340	8.3
169.02745	0.7
170.01627	0.8
178.99751	1.4
179.03488	1.1
182.15369	0.6
199.18076	6.8
207.14896	0.8
224.17680	0.9
225.16048	8.7
243.17102	20.6
244.17526	1.2
269.14877	0.8
298.98447	0.5
299.01764	0.7
299.98956	0.6
300.99896	2.0
301.03531	6.8
302.00409	0.8
302.03943	0.8
309.21921	0.9
341.13745	0.5
353.20770	6.9
354.21005	1.1
433.31848	0.6
451.32803	2.9
469.33945	15.7
470.34122	2.2
579.37585	2.7
597.38684	100.0
598.38989	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	597.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86919	0.4
59.01250	100.0
60.01587	1.3
61.98709	0.9
64.06490	0.4
69.51394	1.3
69.51814	2.3
95.01320	0.4
98.19829	0.9
107.01277	0.7
107.09451	0.4
110.41759	0.5
121.02858	1.4
124.21059	0.4
125.02325	2.1
139.00183	0.5
151.00337	1.0
160.41013	0.4
166.06258	18.3
166.99806	0.6
167.06630	0.5
169.01334	3.0
178.99892	0.5
181.08611	27.4
182.09030	1.9
182.97658	0.6
209.08241	0.8
281.99695	0.5
301.00146	0.6
301.03564	1.8
391.17609	17.1
392.18109	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	597.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47417	0.4
56.14904	0.5
59.01249	100.0
60.01582	1.1
69.83766	1.0
69.84180	1.1
75.00720	0.4
85.73608	0.4
123.00727	0.5
123.57114	0.4
125.02332	1.2
151.00247	1.1
163.63091	0.5
169.01357	1.3
181.04979	18.7
182.05307	0.7
188.07703	0.4
196.07326	24.3
197.07726	1.3
201.76511	0.4
211.09691	63.1
212.10033	3.7
255.03032	0.5
269.96777	0.4
275.84128	0.4
289.63297	0.4
299.02133	0.8
300.02658	0.6
301.03391	1.3
385.40027	0.4
391.17590	21.7
392.17938	2.4
447.27637	0.5
477.09323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21028	1.0
55.59834	0.7
57.03307	1.0
59.01245	3.8
68.99665	1.5
69.03306	1.5
69.88393	3.4
71.01239	3.7
75.00740	5.1
81.03326	8.3
82.52453	0.7
83.01263	6.4
85.02817	1.9
89.02311	0.8
93.03339	7.0
95.01251	3.1
95.04906	4.8
96.95865	1.8
97.02840	5.6
98.98962	1.6
99.04386	2.4
107.01268	1.6
107.04897	1.3
109.02863	3.9
109.06448	1.1
111.00737	1.4
111.04385	3.4
112.53333	0.8
113.02314	1.6
119.04915	7.6
119.09408	0.8
121.02812	3.6
123.00771	4.2
123.04414	16.5
125.02340	10.9
133.01291	0.9
135.04427	5.8
137.02351	5.2
137.05988	7.8
139.03914	10.2
141.05385	0.9
145.02821	1.1
147.04414	5.1
149.02357	1.8
149.05945	1.4
151.03938	4.0
153.01726	1.0
153.05504	1.8
155.03510	0.9
161.02362	1.2
161.05986	2.4
163.03949	4.4
163.07515	1.0
165.01799	3.1
165.05492	7.4
166.02563	1.2
166.99721	2.1
167.03404	30.7
169.01289	4.0
177.01801	1.0
177.05530	2.1
179.03400	8.3
179.07019	1.4
180.04027	1.6
181.04987	3.0
182.97490	3.3
189.05487	8.4
191.03395	2.7
193.04916	4.5
197.04404	4.9
205.05043	1.1
207.06548	1.6
209.04500	27.4
217.04918	0.9
219.02870	1.8
221.04457	5.2
223.06071	1.7
229.08592	1.7
231.06454	1.2
233.04556	1.0
235.06071	2.1
239.05573	12.1
245.00903	1.2
251.05528	4.0
263.05634	1.1
269.06613	2.9
270.98874	1.3
273.07645	4.6
275.01816	1.2
281.06537	1.8
285.07608	2.1
298.98309	1.5
299.99255	1.0
300.99899	12.8
315.08698	17.1
316.08984	1.4
327.08691	8.4
341.10303	1.5
345.09799	8.3
357.09775	100.0
358.10120	8.0
369.09607	4.2
371.11148	1.3
387.10858	75.7
388.11182	7.8
399.10867	4.0
405.15289	1.2
416.83243	1.1
417.11884	22.0
417.17206	1.6
418.12323	2.1
429.11871	2.0
441.11716	1.0
445.13318	1.2
447.12851	1.4
459.12878	8.5
477.14014	18.9
478.14188	2.3
489.14075	5.6
507.15222	2.4
508.15271	1.4
579.17194	1.6
597.18341	8.4
597.35089	0.9
598.18280	1.4
623.23517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80589	1.4
55.01748	2.9
57.03305	3.2
58.00457	1.6
59.01250	57.6
61.98695	8.3
69.06862	1.5
70.60891	1.4
70.77392	1.3
70.80602	1.4
71.01250	39.0
71.56764	1.4
71.57172	1.5
72.99162	2.7
73.02812	11.6
75.00766	1.5
78.91757	1.8
78.95768	1.6
79.95602	4.0
80.96372	2.3
83.01254	6.1
85.02824	14.8
85.32224	1.5
87.00759	2.2
89.02318	6.2
95.01248	2.7
96.95896	4.5
99.00742	6.0
99.16582	1.6
101.02322	34.9
113.02335	15.4
114.02717	1.7
125.02312	3.4
143.03459	1.5
159.02887	3.2
161.04472	14.3
166.99832	1.5
178.38589	1.6
180.94627	1.7
214.45729	1.4
299.50131	1.4
305.39493	1.7
317.84543	1.4
373.27484	3.1
379.12491	1.9
417.26520	2.7
535.32764	100.0
536.33142	18.8
595.37238	3.3
612.58185	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05618	0.7
57.03328	2.9
59.01250	86.1
59.49516	0.7
59.83157	0.6
60.01603	0.9
65.79391	0.8
69.39911	0.7
69.74454	1.1
69.74866	3.2
71.01254	6.0
73.02831	3.5
83.01280	0.8
83.41964	0.7
85.02823	2.4
87.00732	0.8
88.98669	1.7
89.02326	2.8
99.04402	0.8
101.02328	4.8
113.02316	2.8
119.03391	1.6
121.06450	1.1
137.09604	5.6
139.11191	31.5
140.11548	1.4
146.36852	0.7
151.11118	0.9
161.04488	0.7
163.11206	2.0
164.28352	0.7
165.09096	1.4
169.01411	0.8
169.12260	1.2
179.10756	1.3
181.12267	17.0
182.12527	1.0
183.10185	42.1
184.10492	2.0
199.13297	7.9
225.11275	21.9
226.11630	1.1
239.12730	0.8
243.12347	100.0
244.12701	6.0
249.11389	0.9
251.46675	0.7
257.13925	1.9
267.12436	1.5
285.13446	31.5
286.13715	2.2
315.14484	11.9
345.15533	46.6
346.15942	3.4
387.16559	1.5
405.17645	29.1
406.17960	3.7
502.40979	0.7
520.64349	0.8
595.31232	75.3
596.31549	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	595.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92136	0.4
55.01765	1.0
57.03331	2.5
58.00467	0.8
58.01291	0.5
59.01250	75.5
60.01588	0.6
61.98700	1.4
64.15100	0.5
69.03313	0.6
71.01252	15.6
71.20413	1.0
72.42675	0.5
72.99185	1.5
73.02814	8.5
75.00731	0.6
79.95636	0.4
82.79733	0.4
83.01263	4.2
83.70663	0.5
85.02819	4.2
87.00780	0.8
88.98672	0.8
89.02317	9.1
89.02850	0.4
95.01264	1.8
95.04927	1.1
96.95886	1.6
97.02829	0.5
99.00734	0.8
101.02321	11.7
113.02322	7.1
116.24111	0.6
119.03386	2.3
121.06480	1.2
125.02324	1.5
131.03395	0.7
137.05988	1.1
137.09630	5.3
137.25139	0.5
139.11185	28.2
140.11519	1.7
143.03415	1.4
161.04471	3.5
163.11192	3.1
163.12299	0.5
165.09085	0.8
179.05444	0.9
181.12259	18.0
182.12686	0.7
183.10185	44.3
184.10519	2.4
199.13330	4.0
205.12259	1.4
207.10184	0.7
225.11267	18.4
226.11531	1.0
243.12340	100.0
244.12694	4.6
249.06790	0.5
249.11308	4.1
267.12305	1.7
285.13431	9.9
286.13763	0.7
315.14532	4.8
327.14441	1.6
345.15509	18.7
346.15921	1.6
373.23868	0.9
387.16669	1.6
405.17657	16.2
406.17880	1.2
514.73981	0.6
577.29633	1.1
595.31195	29.5
596.31573	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01243	2.7
61.14765	0.5
70.31979	2.0
71.01241	2.5
78.95773	68.2
80.91555	5.0
85.43031	0.6
94.71621	0.6
96.96839	11.5
96.97414	1.1
101.00842	1.6
101.02323	0.6
102.98750	1.2
117.00349	1.8
128.04558	0.7
150.97900	1.0
152.99483	100.0
153.99794	1.5
171.00623	3.2
173.02914	1.2
183.01349	0.8
201.02480	0.9
223.00076	10.5
230.77818	0.6
241.01166	25.9
242.01579	0.9
253.09251	2.3
257.05075	1.4
259.02200	1.4
275.06152	7.3
276.06400	0.7
277.21707	8.1
278.21939	0.8
279.23273	63.8
280.23663	6.1
307.93271	0.6
315.04834	16.6
316.05237	0.7
317.07254	1.5
333.05978	1.2
358.42212	0.8
359.21985	3.4
391.19574	3.4
416.41599	0.5
535.27716	3.6
536.27771	1.2
595.28857	81.7
596.29309	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	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23053	0.4
57.03302	0.5
59.01251	21.9
61.98707	1.1
62.18135	0.5
69.24920	4.5
69.25336	1.1
71.01239	1.0
78.95773	8.7
79.95647	0.8
80.47946	0.4
80.96394	0.9
88.95624	0.5
95.21215	0.5
96.95883	1.6
113.09610	1.8
120.01146	0.5
144.95865	0.5
152.99503	2.8
168.04193	1.9
169.01294	0.7
171.83264	0.5
179.14326	0.8
181.12228	1.1
195.13835	19.7
196.14157	1.4
217.88799	0.4
224.06882	1.4
242.07959	3.1
243.57675	0.5
277.21713	16.9
278.22046	1.6
295.22778	100.0
296.23090	8.7
408.19919	0.5
440.22678	0.7
449.22919	1.1
520.30432	67.9
521.30811	8.1
594.26483	0.5
595.26001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10254	0.2
55.64636	0.2
56.81611	0.2
59.01250	100.0
60.01601	1.1
69.46059	0.4
69.46467	1.5
71.01257	0.2
73.94643	0.2
88.98711	0.4
89.02335	0.3
96.95866	0.4
116.20866	0.2
123.00812	0.4
125.02390	0.6
134.23978	0.2
139.62100	0.2
142.69409	0.2
158.10661	0.2
169.01399	0.5
175.03828	0.3
300.02737	0.2
300.99991	0.5
329.10300	0.3
341.10440	0.5
344.12695	0.8
359.15002	2.0
371.15033	1.6
570.22510	0.2
595.75629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.4
57.03320	4.1
58.00462	2.9
59.01249	100.0
60.01598	1.9
60.99174	11.2
61.98373	1.8
61.98700	36.6
70.41983	3.4
70.42330	1.1
71.01248	44.8
72.99191	3.6
73.02815	11.4
75.00755	1.8
78.95767	0.9
79.95607	1.8
83.01247	6.3
83.16710	1.3
85.02827	14.2
87.00748	5.6
88.00299	1.8
88.98676	64.0
89.02316	46.6
89.02892	1.4
95.01270	3.3
96.95899	3.6
97.02845	1.5
98.19894	1.3
99.00745	4.6
101.02319	34.2
103.91931	1.6
111.00798	0.9
113.02329	14.8
119.03386	11.7
123.00751	1.1
125.02340	4.0
131.03401	1.4
139.11179	15.5
143.03433	3.5
159.02896	3.1
161.04463	11.8
169.71086	1.0
171.68683	1.1
179.05539	6.5
181.12274	8.5
183.10188	20.2
184.10423	1.2
187.11230	1.4
197.11682	1.0
199.13333	6.5
211.27782	1.0
225.11295	11.2
241.10776	1.2
243.12349	62.8
244.12712	3.9
257.13873	1.1
285.13440	19.6
300.99969	1.6
315.14429	7.5
330.93384	1.0
345.15506	33.8
346.15860	1.9
371.27936	10.8
372.28244	1.4
405.17618	23.8
406.18015	2.4
461.31259	12.7
462.31616	1.3
503.32068	1.0
532.31354	1.1
533.33313	54.7
534.33832	8.1
557.24518	2.0
593.28217	4.1
593.36926	14.2
594.35461	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47289	0.4
59.01249	1.4
62.96279	0.6
64.36037	0.5
71.04945	1.3
78.95775	70.4
96.96844	12.2
121.02884	0.6
150.97972	1.2
152.99486	100.0
153.99844	1.3
171.00560	2.9
174.91299	0.5
223.00055	10.0
241.01154	23.8
242.01421	0.8
259.02286	1.4
277.21719	48.5
278.22079	3.7
315.04865	18.6
316.05215	0.7
333.05911	1.3
593.27301	80.7
594.27716	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56281	0.5
55.01762	1.6
56.74992	0.5
57.03316	1.8
58.00465	1.6
58.76952	0.6
59.01249	39.6
61.98700	9.1
71.01254	19.5
72.99182	1.5
73.02812	4.6
75.00746	0.6
83.01257	2.1
85.02821	7.7
87.00748	1.8
87.04379	1.5
89.02324	10.2
89.45065	0.5
92.24102	0.5
92.93982	0.6
93.64485	0.5
95.01270	1.5
96.95872	2.5
97.02859	0.7
98.95460	1.0
99.00751	1.4
101.02319	11.2
113.02337	7.4
119.03395	3.0
123.00771	0.9
125.02333	1.5
131.03406	0.6
153.12767	1.2
159.02914	0.7
161.04463	3.0
169.01353	1.3
169.12431	0.5
179.05444	0.7
191.70346	0.6
194.97488	0.8
269.17450	1.0
353.26920	2.9
371.27969	6.1
372.28207	0.9
380.87628	0.6
515.32404	1.2
533.33307	100.0
534.33606	15.4
584.50122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11006	0.3
55.83242	0.3
59.01241	1.1
69.99805	1.7
75.00743	1.1
78.95773	68.3
96.95918	2.1
96.96832	11.9
98.19808	0.4
150.47635	0.4
150.97896	0.8
152.99486	100.0
153.99837	1.3
163.01248	0.4
171.00572	3.0
223.00090	10.3
241.01152	26.1
242.01465	1.0
259.02209	1.2
277.21710	49.1
278.22058	5.6
308.72354	0.4
315.04877	15.6
316.05264	1.0
317.86389	0.4
333.05960	1.3
385.94797	0.4
557.24158	0.4
593.27307	78.8
594.27655	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32745	0.9
59.01261	4.7
71.11764	1.8
72.36190	1.0
76.62506	1.1
78.95776	85.4
96.96830	16.2
101.44890	1.0
121.02918	2.3
137.04729	1.0
138.46718	1.0
150.97919	1.1
152.99489	74.7
153.99750	1.1
191.62970	1.2
202.89372	1.0
209.04509	1.5
222.99939	1.3
241.01135	34.0
242.01674	1.2
259.02231	1.1
277.21719	51.9
278.22049	4.1
299.99130	1.5
312.60126	1.0
315.04922	8.7
413.20978	8.8
431.21906	3.9
593.27301	100.0
594.27637	13.8
624.74664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97895	2.2
57.36001	0.5
58.99474	24.4
59.01245	4.3
62.56861	0.4
63.58786	0.5
63.96103	1.0
68.93633	0.5
71.01247	4.6
71.56256	0.6
72.56384	0.5
73.02810	0.7
74.98968	22.5
79.95602	39.1
80.96386	28.5
83.54697	0.4
85.02831	1.8
86.98962	0.7
87.00729	0.7
87.99762	1.9
88.03893	0.9
89.02306	2.8
95.01250	0.8
96.72027	0.5
96.95886	8.5
97.06459	1.3
99.00800	0.5
101.02315	3.1
109.06499	1.0
111.00785	0.8
111.92815	1.0
112.93612	18.8
113.02316	1.4
119.04908	0.6
123.00762	0.7
125.02337	1.5
128.93091	1.2
129.01848	0.6
138.95186	100.0
139.95566	1.1
151.00240	0.6
159.02867	0.8
161.04453	0.9
161.09634	1.1
163.04034	0.5
163.11281	0.8
166.99725	1.1
169.01337	1.9
179.05510	0.8
195.10210	0.7
197.11818	2.4
199.13345	1.7
207.10158	3.2
211.07983	0.9
217.01521	0.5
225.11278	1.6
225.41878	0.5
229.08961	7.3
230.09358	0.5
231.10602	2.3
253.09280	2.8
280.03625	0.6
283.02521	0.6
284.03342	1.1
285.03995	7.1
286.04239	0.7
298.04761	0.8
300.99927	1.2
305.14294	1.7
308.03336	1.9
315.12576	1.0
317.19830	0.6
323.05591	3.4
341.06454	0.8
371.07639	0.5
432.22375	1.4
443.09848	2.5
444.09631	0.7
465.18036	5.2
466.18280	0.7
493.17499	9.0
494.17957	1.3
547.15417	2.2
593.15314	13.2
594.15698	1.7
594.27448	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52711	0.4
58.99477	2.0
59.01230	0.6
65.00183	1.1
66.32722	0.4
69.86253	2.3
74.98975	2.6
79.95601	4.1
80.96399	2.4
83.01273	0.9
84.38609	0.4
101.02310	0.5
107.01276	1.9
112.93631	2.2
125.02338	0.8
129.51292	0.4
132.02087	1.2
135.00764	1.4
138.95201	9.9
143.04977	0.6
150.42108	0.5
151.00291	3.5
159.04402	0.6
160.53877	0.4
163.00232	1.2
164.00908	0.8
167.04951	0.5
168.05659	0.4
169.01378	1.0
178.99748	0.5
183.04489	0.8
185.06044	0.8
187.03944	1.5
195.04391	0.7
197.06117	0.6
199.03938	1.3
211.03964	2.3
213.05469	1.1
227.03444	34.7
228.03824	2.5
229.05060	3.9
229.09024	0.6
239.03534	1.1
241.05016	0.9
255.02963	62.7
256.03519	7.2
257.04477	3.5
261.86325	0.5
284.03256	96.7
285.03973	40.1
286.04401	2.6
327.05130	1.3
465.18350	0.6
493.17935	0.7
593.15094	100.0
594.15454	16.7
594.25049	0.5
608.68616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.24743	0.3
59.01232	0.5
63.02262	0.8
65.00201	1.0
69.24950	1.5
69.25372	2.3
83.01260	0.7
86.83594	0.4
93.03327	2.0
95.01276	0.4
101.02358	0.6
107.01262	2.4
109.02827	0.6
122.82843	0.3
123.00800	0.6
125.02366	1.2
132.02022	0.4
135.00786	1.3
143.04907	0.4
151.00281	3.0
153.01880	0.7
157.06487	0.4
159.04417	1.4
163.00282	2.9
164.01035	0.5
165.01819	0.6
169.01299	1.0
169.06474	1.2
171.04480	0.5
173.81413	0.4
180.08534	0.3
183.04385	1.1
185.06003	2.7
187.03949	2.8
189.05496	0.8
190.99640	0.4
195.04456	0.6
197.06036	0.8
199.03911	1.0
200.04527	0.6
201.05403	0.8
211.03917	2.5
212.04549	0.4
213.05486	2.1
223.04131	0.5
227.03436	32.0
228.03775	2.8
229.05008	11.6
230.05301	0.6
239.03429	1.7
240.04344	0.9
241.05009	1.5
242.05327	0.5
243.02968	0.6
255.02959	55.7
256.03522	8.4
257.04514	6.8
258.04755	0.5
267.02878	1.0
283.02597	0.8
284.03250	73.7
285.04010	100.0
286.04364	8.4
299.98749	0.4
327.05148	1.5
330.62018	0.4
387.01965	0.4
530.39789	0.4
593.15076	79.7
594.15424	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	593.1512
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
57.81676	0.5
65.52534	0.6
71.01254	1.0
71.55928	0.7
79.01788	0.7
82.05713	0.6
83.01272	0.7
87.06062	0.6
93.03336	1.9
95.01240	0.7
96.95882	0.6
107.01241	0.7
111.00742	0.7
117.03336	6.2
119.04906	2.7
123.00776	1.1
125.02326	1.7
133.87764	0.5
135.04382	2.6
145.02921	0.7
147.04366	1.2
149.02341	1.2
153.40515	0.5
159.04492	1.0
161.02335	2.7
161.05978	0.8
163.03899	2.4
166.88368	0.6
169.01349	1.4
175.03946	2.2
177.01813	1.6
177.05528	2.7
179.03377	0.8
189.01820	1.7
191.03474	1.4
201.74561	0.5
203.03374	1.2
221.04449	0.6
226.92474	0.6
233.04407	0.8
237.05522	0.8
251.07265	0.7
253.08641	0.6
267.06540	0.8
268.07431	1.3
281.04581	0.8
282.05362	2.5
283.06003	3.4
295.06143	4.9
296.06866	3.2
297.07651	23.1
298.08026	2.6
300.99960	0.9
307.06021	3.1
309.07578	2.8
311.05539	3.2
313.05322	0.7
323.05563	4.1
324.06180	1.3
325.07175	10.3
326.07416	0.8
328.05777	2.8
335.05545	1.5
337.07120	3.0
351.05011	0.9
353.06644	45.4
354.06989	6.3
355.08243	1.4
356.05487	0.9
365.06567	5.4
371.35831	0.7
377.06680	0.8
383.07700	26.6
384.07947	2.0
395.07599	2.5
397.09189	0.7
413.08636	2.3
425.08856	1.3
437.08801	0.7
455.09680	0.6
473.10889	16.3
474.11206	1.5
477.10220	1.9
503.11877	3.5
539.28497	0.6
575.14240	1.5
593.15100	100.0
594.06274	1.1
594.15533	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	593.1511
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
53.26068	0.4
55.01752	0.7
57.03340	0.6
58.00465	2.2
59.01249	46.2
60.01596	0.7
71.01251	22.4
72.99184	3.1
73.02840	0.9
79.95608	0.6
83.01252	1.5
85.02821	3.7
87.00764	1.1
89.02316	19.2
93.55392	0.4
95.01270	1.7
96.95921	0.8
101.02322	12.8
103.01715	0.5
103.76153	0.4
113.02331	7.2
116.30142	0.5
117.03340	6.4
119.03393	8.1
131.01326	2.0
138.95207	1.0
143.03418	0.8
145.02861	0.6
149.02252	0.5
149.04442	0.4
160.79909	0.4
161.02325	1.4
161.04535	0.6
168.95784	0.4
169.01297	0.5
173.02342	3.6
175.00276	9.5
176.00710	0.6
177.01839	0.4
179.05400	0.6
217.01253	0.5
230.14034	0.7
237.05484	0.6
245.55229	0.4
249.05421	0.8
253.05109	0.4
265.04941	0.5
269.04553	5.0
279.06512	0.8
281.04523	4.8
282.05286	3.6
283.06110	5.1
293.04541	100.0
294.04852	8.3
295.06104	2.5
300.99930	0.5
307.05945	0.6
309.04108	0.9
311.05621	8.2
312.06073	0.6
314.04239	1.7
323.05612	5.2
324.05942	0.9
325.07068	0.7
331.76926	0.4
335.05621	3.4
341.06662	4.6
350.30698	0.5
353.06586	1.5
355.08105	0.5
413.08749	59.8
414.09085	7.5
431.09653	0.6
473.10910	3.4
593.15015	69.0
594.15332	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	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21900	0.1
54.11243	0.2
55.76245	0.1
59.01249	0.3
59.07789	0.2
69.63342	0.4
69.63750	0.4
71.61492	0.2
77.03854	0.3
91.01794	0.2
93.03320	0.2
103.32013	0.1
120.02064	0.6
120.24190	0.1
121.02841	100.0
122.03170	3.3
128.28773	0.1
136.01566	0.5
165.01833	4.6
166.02190	0.2
180.05774	0.5
181.06493	2.2
182.06842	0.2
197.06003	1.9
199.07625	0.2
207.04431	0.8
207.08063	0.3
209.04486	57.6
210.04822	2.9
223.03961	0.3
225.05493	1.9
226.05843	0.2
239.67166	0.2
251.07068	0.2
257.09662	0.5
269.08316	0.2
285.09213	0.2
295.06314	0.2
301.08740	0.3
313.07135	1.7
329.07983	0.2
357.06189	1.1
383.07632	1.2
401.08826	0.3
417.09802	0.9
505.11377	3.0
506.11905	0.5
515.33228	0.2
549.10327	6.1
550.10620	0.9
593.12982	8.8
594.13208	1.6
600.27252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.7
57.03302	3.4
58.00457	3.2
59.01249	83.0
61.16572	1.8
61.98699	4.2
69.30016	21.4
71.01252	64.3
72.70310	2.1
72.99172	3.4
73.02819	17.3
74.02379	1.9
75.08736	1.8
78.95766	7.2
79.95598	4.4
83.01273	3.4
83.93053	2.4
84.00718	1.7
85.02816	11.6
88.03925	2.1
89.02313	81.7
94.57980	1.7
95.01279	4.3
96.95884	61.1
96.96795	10.9
97.02789	2.3
99.00756	29.2
101.02316	51.8
101.02997	2.9
113.02328	17.0
113.94112	1.9
115.03871	3.6
119.03385	9.7
125.02319	9.1
131.03409	14.3
137.86632	1.8
140.22160	2.0
143.03355	2.2
149.04459	61.7
161.04466	4.8
169.01302	3.7
179.05534	2.7
191.05545	9.9
197.03821	2.1
221.06560	3.8
250.72202	2.0
251.07698	7.1
300.99954	3.3
360.13968	2.1
399.23599	3.4
531.27911	100.0
532.28333	14.1
583.18604	2.2
591.30890	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	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.17247	0.6
71.20165	1.4
78.74966	0.7
147.42653	0.6
189.67407	0.6
210.43875	0.7
241.33496	0.6
246.94574	0.6
277.19577	0.6
304.04492	0.7
347.60837	0.6
428.46271	0.7
429.16586	0.8
443.22412	1.5
444.19113	0.7
445.19577	0.9
456.23456	0.8
459.21960	1.7
466.57333	0.6
470.18079	0.9
471.20630	1.1
471.25809	2.1
472.22598	2.1
473.23462	1.0
482.20990	1.4
485.19913	2.2
487.25247	3.2
489.23224	1.1
497.23376	3.1
499.21371	3.9
500.22278	11.5
501.22571	1.8
503.20001	0.7
513.23065	0.8
514.23981	0.8
515.24524	100.0
516.24811	19.2
518.23572	0.7
519.23773	1.3
534.87384	0.6
559.23706	3.5
560.24298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04413	0.2
71.01254	0.2
71.56080	0.3
76.17191	0.2
76.78207	0.2
79.95605	2.5
82.01153	0.2
96.95891	100.0
97.95823	0.3
125.02332	0.2
253.44919	0.2
271.02411	0.2
299.71246	0.2
315.01260	0.2
316.02307	0.8
331.04599	0.4
402.15860	0.2
447.09561	0.2
493.09836	1.4
528.50208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.6
63.58729	2.2
65.00191	3.1
70.86262	1.6
71.01258	2.3
71.56277	1.7
73.83859	2.0
74.23683	1.7
85.02825	1.9
96.95894	5.4
107.01292	3.1
112.93636	2.6
125.02345	2.3
151.00276	10.9
161.02292	4.0
180.99620	3.4
189.01881	7.2
193.01212	2.0
194.97559	4.6
195.98251	5.6
201.00125	3.4
203.03369	3.7
217.01384	7.8
218.30902	1.9
232.99022	3.0
243.03000	3.2
245.00983	4.2
247.00681	3.7
269.00919	3.7
271.02490	2.2
272.98538	12.2
275.00140	12.5
276.98044	2.2
278.99646	7.7
287.02136	3.1
300.98022	20.3
301.98355	2.6
302.99771	4.7
315.01566	10.9
316.02277	5.1
328.97586	75.5
329.98233	20.2
330.99149	100.0
331.99472	8.4
349.00180	3.2
366.97571	7.6
509.03748	10.2
511.05545	90.1
512.05859	8.6
591.00903	18.6
592.01031	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40915	1.2
59.01248	25.4
66.29021	1.4
70.09743	4.9
71.01245	5.7
73.02813	1.7
82.61977	1.2
85.02805	2.6
89.02299	5.3
96.95867	4.0
98.19825	1.7
100.22030	1.3
101.02315	5.7
113.02377	3.2
121.10073	2.0
125.02336	1.3
161.04469	2.7
171.10246	2.8
183.13779	1.9
195.13847	2.3
235.07999	1.6
235.17001	7.2
253.09267	25.3
275.20169	15.1
276.20605	2.6
293.21219	100.0
294.21506	9.5
507.33691	1.9
578.36572	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05317	1.7
53.95525	1.2
57.03328	1.8
59.01250	33.5
61.98692	2.8
69.76948	8.6
71.01256	5.6
71.04885	2.9
83.66875	1.3
85.02851	2.3
89.02324	5.8
96.95890	4.6
101.02330	5.7
113.02316	3.5
119.03345	2.0
125.02321	1.6
125.09690	1.8
143.10753	2.7
150.81984	1.4
151.65979	1.3
209.11783	2.0
209.15363	1.7
218.36360	1.6
223.16881	1.8
235.16988	21.3
236.17134	1.6
253.09294	24.0
254.09683	1.5
258.31689	1.8
275.20160	23.7
276.20355	3.6
293.21222	100.0
294.21564	10.5
447.31384	1.7
566.58582	1.4
576.05627	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17228	1.0
55.01746	1.0
58.69722	0.9
59.01251	27.5
61.98684	3.8
71.01251	26.3
72.99168	3.6
73.02812	12.4
75.00739	4.6
78.32857	0.8
79.95611	1.4
83.01243	2.0
85.02818	4.1
87.00740	1.5
89.02316	28.4
89.89964	1.0
96.95871	5.5
98.20575	1.9
99.00758	24.2
101.02335	11.2
113.02312	3.5
119.03371	2.0
125.02335	2.4
131.03387	3.1
141.73395	1.2
145.49821	1.1
149.04437	4.3
169.01320	1.6
183.43852	0.9
191.05505	4.1
223.17044	1.3
270.60223	1.0
277.18723	0.9
277.21683	3.9
295.22754	4.3
367.24817	3.1
398.00735	1.1
439.27576	1.1
457.28040	7.8
522.33618	1.1
549.05994	1.1
589.32263	100.0
590.32690	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61807	0.3
65.72640	0.3
71.56728	0.5
72.99181	1.7
75.00744	100.0
76.01083	1.1
76.83175	0.3
78.95774	0.6
87.80650	0.3
152.99493	0.5
192.90334	0.3
226.49168	0.3
277.21814	0.6
449.09201	0.3
526.55701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	17.6
61.98692	4.2
63.84854	1.2
68.88274	1.2
71.01244	8.1
71.57117	1.3
73.02814	1.9
79.95601	3.9
85.02850	1.4
85.57568	1.3
89.02333	6.2
95.01281	1.9
96.95898	8.9
98.99158	1.3
101.02326	5.6
113.02307	3.4
114.05286	1.4
125.02337	1.3
134.77563	1.3
157.08649	1.4
165.12779	15.7
169.01218	1.4
171.10161	2.8
187.19890	1.1
194.44550	1.6
197.11667	2.4
247.20642	7.1
253.09311	15.6
273.18570	4.8
291.19656	100.0
292.20032	7.8
417.69666	1.5
544.51642	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84591	0.2
69.25162	3.0
70.42898	0.3
72.99174	1.5
73.37167	0.2
75.00744	100.0
76.01078	1.1
78.95767	0.4
94.09784	0.3
96.57948	0.2
152.51382	0.3
277.21707	0.4
310.30069	0.3
313.55289	0.3
450.24661	0.4
603.45654	0.3
608.37848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
59.01245	13.7
61.98685	1.2
71.00890	0.6
71.01249	6.0
71.12496	0.8
73.02823	1.3
73.48557	0.4
79.95600	1.9
80.96389	0.6
83.01269	0.5
85.02812	1.2
85.99438	0.4
87.00763	0.4
89.02309	4.4
90.85135	0.5
95.95048	0.4
96.95900	4.1
97.06473	0.4
101.02330	4.9
111.94922	0.4
113.02348	2.2
119.03370	1.3
119.47478	0.4
125.02319	1.2
125.06033	0.4
129.17538	0.4
139.34885	0.4
148.08768	0.8
149.04448	1.0
150.10367	0.7
161.04462	1.8
165.11356	0.7
165.12755	13.9
166.13148	0.9
171.10210	0.4
179.05466	0.4
191.05646	0.5
217.16090	0.6
233.15416	0.5
247.20601	7.9
248.21140	0.5
253.09265	15.3
254.09529	0.8
273.18622	3.8
291.19653	100.0
292.19995	10.4
293.08640	0.8
300.99847	0.5
309.20572	0.6
337.14120	0.4
527.28424	1.0
587.24353	0.6
588.24408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07066	0.9
59.01249	16.7
61.71339	0.9
70.13946	3.9
71.01260	10.1
72.99157	1.1
84.21427	0.9
85.02811	3.0
85.06469	8.4
89.02309	12.1
95.01251	1.8
98.99006	4.9
101.02322	9.5
113.02326	3.6
113.05968	2.4
115.07465	1.2
119.03387	5.8
119.73910	0.8
123.00764	3.0
126.98470	2.7
131.07037	39.6
132.07411	1.4
147.45567	1.1
154.97937	0.9
166.99753	1.6
169.01241	1.4
171.23170	1.1
182.97498	2.8
198.96979	2.9
199.97758	1.2
200.98586	7.9
270.98898	1.3
293.12415	100.0
294.12769	4.7
298.53085	1.0
299.99207	1.0
300.99646	0.9
330.95303	1.1
332.96881	1.5
419.65231	1.1
496.98505	1.0
506.78424	1.0
580.80127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	44.9
61.98708	9.4
69.03304	1.7
69.33511	3.8
69.33916	12.3
71.01270	7.9
77.63933	1.8
79.95599	2.4
82.73452	1.4
84.35735	1.5
88.03944	2.2
88.98713	2.1
89.02316	2.8
92.95517	1.5
93.03340	6.2
95.01264	6.2
96.95898	9.4
97.02806	1.9
98.19782	2.9
101.02325	3.1
107.01274	7.9
109.02838	2.1
111.00784	2.9
113.02330	2.2
121.02831	22.5
122.03632	16.3
123.00772	12.4
124.01563	1.7
125.02332	33.3
132.02068	2.7
133.02841	3.9
135.04410	2.1
136.01477	2.1
137.02348	3.2
139.00302	3.3
140.00946	1.8
141.01773	2.2
145.02844	3.5
147.04443	2.4
149.02350	96.8
150.03137	95.6
151.00285	5.4
151.03510	7.8
152.03685	2.1
163.03963	2.8
164.04668	17.0
165.05486	100.0
166.06270	37.1
166.99773	3.7
167.07030	4.6
168.00516	5.2
169.01328	35.7
175.03926	2.4
180.04260	8.3
181.04994	20.6
181.08621	34.9
182.05759	11.5
189.01756	2.5
190.02728	2.0
191.06982	2.4
195.06552	65.3
196.07312	23.9
197.08159	22.4
200.98595	2.1
203.99521	1.7
211.02473	1.8
211.09689	17.8
217.01324	2.2
222.70909	1.6
236.27092	1.6
273.00409	1.9
275.01883	2.0
285.04120	7.5
286.04343	7.4
287.04654	12.0
288.04794	6.5
289.05054	3.3
298.98221	2.2
299.99051	2.1
300.99799	9.0
311.12805	2.2
313.10861	3.7
327.12271	7.6
328.91162	1.7
343.11804	1.6
357.13528	9.3
359.14841	1.7
360.15344	4.0
361.15881	2.7
389.25433	1.7
391.17856	2.9
423.43088	1.7
425.08792	2.3
435.12769	4.7
443.52023	1.8
502.13086	1.8
524.20599	3.5
527.32019	4.0
539.22754	98.2
540.22986	15.2
558.52716	1.8
587.13989	35.0
587.27679	5.0
588.14484	4.9
588.28668	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	585.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84309	0.3
59.01249	1.5
61.98701	1.8
70.71172	0.9
71.01246	0.4
79.08067	0.3
83.01279	0.4
93.03335	3.0
96.95891	0.4
101.74220	0.3
102.02752	0.3
103.91427	0.3
105.03352	0.4
107.01303	0.3
109.01462	0.3
119.04861	0.5
121.02850	4.3
122.03632	11.6
123.00802	0.7
123.04465	0.4
124.01525	0.6
125.02364	1.6
126.02698	0.4
128.25282	0.3
133.02863	1.3
135.04443	0.6
136.01570	1.3
137.02364	0.5
139.00238	0.6
149.02351	18.5
150.03133	89.0
151.03459	4.5
152.06642	0.3
160.01579	0.6
164.04733	3.1
165.05487	100.0
166.05835	5.2
168.00577	0.3
169.01363	1.8
170.01646	0.3
180.04208	6.4
195.06563	70.2
196.06932	3.2
210.24182	0.3
221.42215	0.3
242.09468	0.9
257.11719	0.4
270.09039	1.4
285.04056	0.4
285.11349	1.8
286.04770	0.3
286.08374	0.4
287.04788	0.6
298.08435	0.8
299.09235	1.4
300.99863	0.5
301.10742	0.5
310.08499	0.4
311.09137	1.0
313.06522	0.3
313.10788	0.9
314.08057	1.8
315.08463	0.3
318.96112	0.3
325.10956	0.8
326.07935	0.8
327.12259	0.4
328.13376	0.4
329.10248	4.5
330.10617	0.8
341.10300	6.7
342.10513	0.6
344.12640	6.7
345.12988	0.7
350.80936	0.3
356.12762	2.5
359.15005	19.7
360.15390	2.3
363.25525	0.5
371.14963	14.5
372.15308	1.7
380.53046	0.3
507.19904	0.6
537.21478	1.6
538.21814	0.4
585.12512	1.4
585.23798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44495	0.3
58.60659	0.3
59.01249	0.7
61.98702	5.1
62.93322	0.3
63.02250	0.5
65.00191	0.8
69.99706	0.3
71.01267	0.4
71.33656	0.6
83.01269	0.3
92.61683	0.4
93.03342	4.1
95.01280	0.7
95.04927	0.5
107.01260	1.9
108.02054	0.3
109.02842	0.5
112.37973	0.3
121.02847	8.1
122.03629	14.4
123.00738	0.5
123.04440	0.5
124.01527	0.5
125.02361	0.7
132.02066	0.6
133.02847	1.9
134.03653	0.4
135.04399	1.0
136.01556	1.4
137.02344	0.6
148.01575	0.5
149.02347	37.0
150.03130	91.9
151.00282	6.3
151.03461	4.2
152.00613	0.3
153.05452	0.3
160.01570	0.9
163.22409	0.3
164.04703	7.7
165.05482	100.0
166.05807	5.3
167.03281	0.4
169.01358	1.0
178.99721	2.8
179.07028	1.4
180.04187	6.3
181.04872	0.7
195.06557	63.5
196.06879	3.7
211.04070	0.3
226.08400	0.6
242.09402	0.6
257.11914	0.6
257.88763	0.4
267.10062	0.3
268.07343	0.3
269.08255	0.4
270.08853	1.7
271.09784	0.4
282.08978	0.7
283.09619	1.8
284.07025	0.7
285.11310	1.9
286.08511	0.6
295.09232	0.4
297.07886	0.7
297.11343	0.9
298.08398	1.4
298.11624	0.4
299.09189	1.2
299.12976	1.3
301.03522	11.4
301.10748	0.7
302.03955	1.0
310.08484	0.6
311.09225	1.0
313.07126	0.4
313.10803	1.4
314.07907	1.6
323.09125	0.5
325.10721	1.0
326.08020	0.7
326.11499	0.9
327.08755	0.7
327.12323	4.0
328.09317	0.7
328.13080	7.4
329.10245	5.7
329.13708	0.8
330.10867	1.4
330.14401	0.4
341.10287	6.5
341.14160	0.7
342.10727	0.9
343.11884	0.7
343.15527	1.4
344.12573	6.9
345.13318	1.6
355.11768	0.5
356.12750	2.5
357.13278	0.5
358.13837	0.4
359.14981	21.0
360.15427	2.2
363.20294	1.0
371.14996	17.2
372.15244	1.8
388.14859	0.3
389.15430	0.7
433.07758	3.0
434.08218	0.5
453.58200	0.3
458.95816	0.4
461.16058	1.4
463.17712	1.6
492.17993	1.1
493.18088	0.4
507.20175	8.2
508.20810	1.5
519.20245	1.2
522.18805	0.4
537.21259	43.5
538.21625	7.6
555.22528	0.7
585.08960	2.4
585.23004	2.7
586.09540	0.5
586.23816	0.5
605.17047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0909
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
59.01251	2.6
61.98704	26.2
63.02264	3.3
65.00190	5.7
69.49134	0.2
69.49442	2.3
69.53485	0.3
71.01257	2.6
72.99175	0.4
73.02841	0.4
83.01255	4.3
85.02832	1.0
87.00781	0.5
89.02341	0.8
93.03342	2.5
95.01285	0.9
96.95901	0.5
97.02885	0.3
99.69806	0.2
101.02325	1.1
101.32609	0.3
105.03431	0.4
107.01269	11.9
108.01550	0.3
109.02856	0.8
111.00775	0.5
113.02302	0.6
119.03397	0.3
121.02846	14.6
122.03664	4.0
122.77650	0.2
123.00758	1.7
123.03973	0.5
124.01549	0.5
125.02358	3.5
133.02861	0.5
135.04404	1.4
136.01593	1.8
137.02307	0.6
139.03911	0.6
141.01883	0.3
145.02859	0.3
147.04420	0.4
148.01613	0.4
149.02351	11.4
150.03145	25.0
151.00279	48.3
151.03491	3.7
152.00630	1.5
152.03571	0.5
152.95549	0.3
159.03128	0.2
159.04378	0.5
161.02365	1.3
161.04494	0.5
161.05940	0.4
162.03252	0.4
163.00282	0.6
163.03917	1.8
164.01025	0.9
164.04715	2.3
165.05495	24.5
166.02640	0.9
166.05830	5.0
166.99753	0.6
167.03404	0.3
167.06010	1.0
169.01341	7.5
170.01659	0.3
173.02420	0.3
173.05925	0.3
174.03130	0.4
175.00497	0.3
175.03941	1.0
176.44748	0.3
177.05472	0.3
178.99786	22.8
180.00150	0.8
180.04237	1.4
181.04980	2.6
182.05338	0.5
187.03984	0.7
189.05511	0.5
190.06113	0.3
191.06848	0.4
192.00562	0.6
192.04179	0.3
193.01349	1.3
195.06569	13.6
196.07001	3.3
197.07109	0.8
201.05591	0.3
203.03169	0.2
205.05011	0.5
207.06522	0.5
211.03976	0.5
211.09700	0.3
218.71941	0.3
219.06537	0.3
220.07452	0.3
227.03500	0.3
228.04314	0.4
229.01273	0.4
229.05008	1.0
230.02159	0.3
237.07695	0.3
240.04330	0.6
245.00893	0.3
245.04506	0.7
255.02936	0.3
257.04407	0.7
266.05539	0.5
269.08160	0.5
270.08868	0.4
271.02585	0.4
273.01508	0.3
273.04083	2.1
274.04373	0.3
280.07425	0.4
283.04648	0.5
284.06720	0.3
295.06119	0.7
297.11163	0.3
298.08417	1.0
299.01862	0.4
299.09155	0.3
299.99261	0.3
300.02850	0.8
301.03516	100.0
302.03845	7.8
310.08353	0.6
313.10672	1.4
325.10776	1.2
326.11362	0.5
327.12244	0.6
328.13083	1.2
329.10260	1.1
330.10718	0.3
341.10086	1.3
343.11725	1.0
344.12698	1.3
355.11716	0.6
357.13342	0.9
358.13766	0.9
359.14835	3.0
363.20227	2.2
364.20612	0.7
371.14981	2.4
373.12750	0.6
387.14328	1.0
388.14682	1.8
389.15082	1.0
391.63910	0.3
401.15915	0.4
433.07697	22.1
434.08142	2.3
449.46573	0.3
506.19339	0.4
507.20047	1.8
523.34967	0.4
524.35181	2.3
525.35681	0.6
536.20154	3.1
537.20990	9.9
538.21210	0.6
549.32434	0.5
555.22150	1.2
567.22772	0.3
585.08856	19.5
585.30145	1.8
586.09180	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0885
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
61.98691	0.3
63.02262	2.5
64.99840	0.2
65.00188	4.8
69.55820	0.8
70.65147	0.1
71.01248	0.3
72.47936	0.1
81.57488	0.1
83.01256	3.1
91.01797	0.3
93.03325	1.3
95.01268	0.2
96.95870	0.2
107.01266	9.9
108.01549	0.2
108.99230	0.3
109.02830	2.9
110.03168	0.2
111.00730	0.2
119.01283	0.5
121.02837	8.8
122.03191	0.4
123.00780	0.3
124.01593	0.2
125.02309	1.1
133.02864	0.2
135.00792	0.4
137.02307	0.2
139.03900	0.5
143.04855	0.3
145.02861	0.2
147.00787	0.2
147.04427	0.3
147.59196	0.1
148.01555	0.2
149.02330	1.4
151.00267	35.8
152.00558	1.3
153.01805	0.2
154.03777	0.1
157.06479	0.3
159.04427	0.6
161.02356	0.6
161.05960	0.2
161.12637	0.1
163.00285	2.9
163.03888	0.5
164.01079	0.7
165.01871	0.3
167.04932	0.3
167.46793	0.1
169.01326	3.4
170.01694	0.1
171.04391	0.2
173.05995	0.4
174.01683	0.1
175.00404	0.1
175.03918	0.4
178.99773	17.4
180.00150	0.8
183.04454	0.7
185.05951	0.2
187.03920	0.8
189.05498	0.2
190.99759	0.3
192.00540	0.3
193.01349	0.8
195.04492	0.2
199.03870	0.3
201.05525	1.0
203.03433	0.4
205.05017	0.3
211.03926	1.5
212.04453	0.2
213.01900	0.3
213.05504	0.2
214.02530	0.2
215.03392	0.3
217.04984	0.2
227.03436	1.2
228.04070	0.1
229.04994	1.9
230.02284	0.2
231.03142	0.1
239.03397	0.5
240.04240	0.3
243.02975	0.6
245.04510	2.4
246.04858	0.2
255.02936	3.3
256.03577	0.7
257.04562	0.7
257.06805	0.1
266.02228	0.2
267.68851	0.1
271.02432	1.2
272.02921	0.4
273.04059	2.6
274.04385	0.2
283.02029	1.3
283.04715	0.5
284.02966	0.1
299.01926	0.3
300.02728	1.4
301.03500	100.0
302.03848	8.7
317.02762	0.1
325.91367	0.1
348.84781	0.1
355.37109	0.1
396.74609	0.1
432.12100	0.1
433.07642	0.8
478.84256	0.2
585.08789	5.7
585.25104	0.2
586.09229	1.0
598.80707	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	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.4
61.98701	100.0
65.00203	0.9
71.01247	2.3
71.56758	0.8
72.99201	0.8
83.01247	0.9
85.02832	1.2
87.00745	1.2
88.00293	1.1
88.98685	1.2
89.02289	2.9
90.02675	0.6
93.03340	1.2
95.01241	1.3
96.95930	1.0
98.98988	0.6
101.02305	1.5
107.01299	2.1
108.98653	0.6
109.02826	0.7
111.00789	1.4
111.04401	1.1
113.02267	0.6
119.03449	1.0
121.02881	0.9
123.00754	3.9
125.02344	7.4
137.02328	1.2
140.01053	0.7
145.02840	0.7
149.02353	1.3
150.03160	0.8
151.00258	3.7
155.03409	1.3
161.02344	0.6
163.00264	0.6
165.05453	1.2
166.06303	1.3
166.99794	3.0
168.00449	0.7
169.01340	10.2
173.04465	1.2
178.99806	1.8
183.47708	0.6
189.01894	1.0
197.04485	1.1
198.97107	0.7
201.01839	0.9
214.99933	1.0
215.05540	1.9
242.99303	1.1
245.01089	0.9
270.98880	1.3
273.00369	1.4
275.07782	0.8
289.07098	0.7
295.78137	0.6
299.99234	1.2
300.02744	0.9
300.99963	4.9
301.03625	7.6
317.02969	0.7
521.20538	1.1
585.08344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50662	0.4
53.32796	0.3
59.01249	2.4
61.98700	100.0
65.00197	0.5
69.03325	0.3
69.79959	2.0
71.01276	1.6
83.01270	0.7
85.02814	0.4
87.00756	0.4
88.00247	0.3
88.98682	0.7
89.02309	2.4
93.03357	0.5
95.01271	1.0
96.95879	0.8
98.20515	0.6
101.02319	0.6
102.02853	0.3
107.01291	1.4
109.02863	0.4
111.00765	0.5
111.04395	0.5
113.02336	0.6
119.03540	0.3
121.02859	1.3
123.00740	2.5
125.02338	4.6
135.04442	0.7
139.00266	0.5
141.01834	0.6
145.93134	0.3
147.00890	0.3
149.02345	0.5
150.03021	0.4
151.00288	1.9
155.03386	0.6
163.00336	0.6
163.03899	0.4
165.05537	0.5
166.99695	1.7
168.00491	0.8
169.01357	5.8
170.01680	0.5
178.99841	1.3
179.03383	0.5
181.08522	0.4
182.97493	0.4
183.02916	0.3
187.00316	0.5
203.03380	0.4
211.02361	0.3
215.05511	0.8
216.00539	0.3
217.01459	0.6
229.01373	0.5
242.99411	0.5
270.98901	0.6
273.00470	0.6
275.01923	0.6
275.07431	0.3
298.98621	0.6
299.99207	0.6
300.02621	0.5
300.99960	2.8
301.03625	5.3
302.00238	0.4
367.60931	0.4
521.20544	0.4
585.25000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.2
56.25351	1.7
57.03277	2.3
58.74716	1.5
59.01250	41.1
61.98702	48.4
69.30667	19.2
71.01254	25.2
73.02821	5.0
79.26060	1.9
81.80597	2.0
83.01253	4.5
85.02828	12.2
87.04379	2.6
89.02320	10.4
95.01241	3.0
96.95899	3.7
101.02332	18.3
107.01266	2.5
111.00704	2.8
113.02319	8.2
119.03384	1.9
123.00750	3.8
125.02322	10.4
125.09637	2.0
150.03145	3.4
165.05518	5.4
166.02766	1.9
166.99767	3.3
168.00529	2.5
169.01302	11.0
195.06509	4.4
219.58115	2.2
220.44212	2.1
285.03885	4.6
300.02695	3.9
300.99957	2.6
361.29419	12.4
362.30026	2.7
363.20264	3.0
379.52695	1.9
447.09546	2.4
483.07227	2.0
523.34882	100.0
524.35236	14.4
526.89258	2.0
545.85791	2.0
547.31061	2.1
583.23669	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	583.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60444	0.5
56.19997	0.7
59.01249	100.0
60.01563	0.6
69.74653	2.9
69.75080	1.2
73.59818	0.6
74.71172	0.5
95.01260	0.7
98.20461	0.9
121.02835	2.2
122.03571	1.0
125.02386	1.0
132.22714	0.6
149.02348	33.3
150.03157	8.6
151.03644	0.6
164.04689	9.7
165.05482	11.2
166.06250	3.2
166.38971	0.6
166.99702	0.6
167.07056	1.4
169.01343	2.1
180.04211	0.9
181.08588	1.7
195.06569	10.9
209.89804	0.6
283.09735	0.7
285.11438	0.8
300.99966	1.0
314.11597	16.8
315.11890	2.3
329.13931	79.9
330.14285	8.3
377.16028	31.7
377.20914	1.2
378.16428	3.5
390.46359	0.7
408.62549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1092
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
57.84318	0.1
61.98685	0.7
63.02264	0.7
65.00197	0.3
69.36936	1.6
74.36250	0.1
77.71415	0.2
79.88250	0.2
83.01254	0.4
86.00716	0.2
91.01769	0.6
93.03312	2.0
95.01266	0.2
107.01263	1.8
107.46115	0.2
108.02091	0.1
109.02850	1.0
114.85327	0.2
117.03342	0.3
119.01254	0.2
123.00764	0.4
125.02340	0.6
130.04175	0.2
131.04872	0.4
135.00786	1.0
137.02403	0.2
141.07053	0.3
143.04929	1.3
145.02829	0.2
145.06506	0.2
151.00259	0.7
153.01831	0.4
154.04164	0.4
155.04898	0.2
156.05743	0.2
156.91304	0.2
157.06473	0.8
159.04393	1.4
163.00267	2.0
165.01822	0.4
167.04913	0.6
168.05702	0.2
169.01361	0.8
169.06473	0.8
170.03448	0.2
171.04396	0.7
173.02254	0.2
173.06003	0.3
183.04453	0.3
184.05153	0.3
185.05991	2.8
187.03902	3.2
189.05493	1.2
195.04398	0.5
196.05205	0.3
197.06029	0.9
198.03145	0.3
199.03915	0.7
201.05513	0.6
211.03932	1.9
213.05502	2.1
214.02550	0.4
215.03545	0.3
223.03934	0.2
227.03462	2.8
228.03920	0.2
229.05002	12.0
230.05330	0.9
239.03468	1.3
240.04208	0.9
241.04988	1.5
243.02864	0.3
248.01558	0.2
255.02960	1.1
256.03662	1.0
257.04526	6.7
258.04889	0.4
267.03070	1.0
268.03580	0.3
284.03293	0.6
285.04019	100.0
286.04373	7.8
297.06104	3.3
431.09778	0.2
548.51147	0.2
583.10913	1.3
584.11102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93372	2.7
57.03320	5.0
59.01250	78.4
61.98702	100.0
65.00212	3.7
69.35194	24.2
69.35612	6.0
70.25893	2.7
71.01248	44.9
72.99176	6.8
73.02827	8.8
74.02341	8.7
75.00768	4.8
78.95806	3.4
79.22050	2.7
79.95621	4.9
81.03351	4.3
83.01256	6.9
85.02829	20.4
88.98703	4.8
89.02306	25.7
95.01263	14.5
96.95886	9.8
99.00762	5.9
101.02337	33.2
104.03439	5.3
107.01279	11.2
111.00790	5.2
113.02319	16.9
115.03899	2.6
118.27155	2.7
119.03390	9.2
119.04958	3.0
120.05177	2.7
123.00745	17.6
125.02332	59.1
126.02657	6.5
135.04373	3.7
141.01921	3.3
145.02956	3.0
159.04208	3.0
161.02350	5.2
161.04434	4.4
165.01822	3.8
166.99814	9.4
167.47015	2.8
168.00494	6.7
169.01340	82.7
169.02788	5.5
170.01730	3.9
177.01697	4.4
179.05473	5.0
189.01807	3.7
214.99759	2.8
225.11322	4.9
229.01349	5.3
259.99570	3.2
285.03989	16.1
287.14099	6.1
298.98386	4.1
299.99066	6.5
300.99866	15.8
304.11493	2.8
346.20178	8.4
359.28021	15.2
521.33337	99.3
522.33661	13.9
581.14551	3.5
581.33130	14.8
582.29254	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	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52195	0.3
59.01248	3.7
60.01578	0.6
60.78382	0.3
61.01693	0.4
61.98702	100.0
71.35974	0.5
71.36308	0.3
76.24381	0.3
78.95770	1.6
80.96199	0.4
96.95917	0.5
103.17378	0.3
104.28460	0.3
121.31882	0.3
142.54454	0.3
152.99504	0.7
170.04793	0.3
193.49649	0.3
243.08583	0.3
271.51697	0.3
279.23282	7.6
280.23611	12.1
281.23907	8.1
282.24203	4.0
305.74033	0.3
355.58679	0.3
364.00430	0.3
390.94702	0.3
504.30618	0.6
505.31570	0.9
506.31558	1.5
507.31802	5.2
539.13788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.8
63.96111	1.2
69.03311	0.7
71.01250	9.1
71.16819	0.9
71.17136	0.8
73.02815	1.5
78.98461	6.0
79.95606	9.4
80.96388	70.4
81.03324	1.2
83.21554	0.5
85.02819	2.8
86.21236	0.5
87.00734	2.8
94.97961	17.4
94.98573	1.1
96.95901	3.4
97.02840	1.7
101.02316	2.1
106.97948	3.3
113.02306	0.7
122.97455	6.2
125.02351	2.7
134.97482	4.2
136.99065	1.8
148.99057	7.1
152.98518	7.4
164.98547	10.6
167.00140	1.1
182.99640	2.4
206.99673	3.7
225.00697	18.3
226.00847	1.0
228.22562	0.6
243.01753	1.6
281.24747	3.7
299.04370	3.1
338.27808	0.6
435.53369	0.6
581.29974	100.0
582.30255	13.7
600.62085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80779	3.4
58.00471	3.8
59.01248	81.5
71.01254	63.7
71.36375	6.1
85.02826	9.2
87.00792	4.3
89.02314	100.0
92.08532	3.2
95.01228	3.8
101.02324	31.2
113.02336	29.0
119.03397	37.3
125.02372	4.1
143.03368	8.6
149.04494	4.8
161.04483	8.2
169.01314	4.9
179.05542	32.5
210.38626	2.9
234.55083	3.0
255.10188	3.1
283.09717	21.2
284.09842	2.8
296.10556	4.6
311.09244	50.3
312.09732	3.6
325.10831	6.2
326.11618	35.4
327.11838	4.3
341.13919	63.7
342.14148	6.2
378.70023	3.4
385.76550	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83170	0.3
59.01250	100.0
60.01583	1.0
65.00194	0.5
67.01740	0.3
68.89746	0.3
71.01255	1.5
71.56004	0.5
74.19620	0.3
85.02808	0.5
88.98732	0.4
95.01238	0.7
96.95847	0.5
97.02819	0.6
101.02327	0.5
107.01271	1.3
111.00766	0.6
113.02335	0.4
116.92712	0.7
121.02836	1.5
123.00777	1.9
125.02353	3.1
135.04425	0.6
136.98700	0.4
137.02357	1.7
137.08052	0.3
139.00299	1.0
145.02846	0.9
147.04395	1.7
149.02374	0.4
151.03929	2.3
152.04654	0.4
153.01819	1.2
158.03503	0.4
159.04398	0.6
161.02374	0.5
161.04494	0.5
161.05920	0.4
162.02936	0.4
163.00256	0.4
163.03922	2.5
165.01859	0.5
166.02591	0.5
166.06172	0.4
166.99812	1.5
167.03445	0.4
168.00397	0.3
169.01346	4.3
173.02376	0.7
173.06021	0.3
174.03149	1.6
175.03925	7.4
176.04654	2.0
177.01808	0.4
177.05452	1.0
179.03442	0.7
180.04208	5.2
181.01370	1.4
181.04826	0.4
182.97507	0.3
183.03008	0.4
184.03700	0.3
185.00829	0.4
187.00244	0.4
188.04727	1.4
189.05498	3.5
190.06285	9.6
191.03407	0.9
191.07059	8.4
192.07491	0.3
193.05011	5.3
194.05779	4.0
194.99306	0.3
198.05392	0.3
201.01897	0.5
203.07050	1.0
205.05031	0.3
205.08633	8.7
206.09033	0.6
207.06589	4.0
208.07352	4.2
214.99870	0.5
217.01526	0.4
222.09013	0.5
223.09840	0.5
229.01215	0.6
240.04288	0.4
249.03835	0.3
255.10164	0.6
261.00201	0.3
269.08188	8.7
270.08646	1.0
271.09558	0.6
273.00308	0.4
275.01822	0.5
281.08212	0.9
283.09744	3.6
295.09808	0.7
296.10538	0.6
297.11118	0.4
298.98300	0.8
299.09253	5.2
299.98978	0.6
300.99789	2.1
310.12134	0.4
311.09222	8.6
311.12827	0.5
312.09671	0.8
314.11575	13.0
315.12054	1.2
316.99384	0.9
325.10840	1.3
326.11560	8.1
327.11804	0.8
329.13925	41.9
330.14291	4.3
341.13919	25.5
342.14240	2.6
349.99536	0.3
359.11176	0.5
359.15149	0.7
359.70905	0.4
374.13486	1.5
389.16049	47.2
390.16382	5.0
419.16931	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	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95421	0.3
59.01250	20.7
61.98689	0.3
71.27931	0.5
78.95779	20.2
79.95619	0.4
80.96386	1.4
96.95898	4.3
115.81387	0.3
116.92735	0.3
121.49795	0.3
122.98409	0.5
134.98407	0.3
152.99486	3.2
168.04214	3.0
179.89058	0.3
196.89388	0.4
224.06882	8.7
242.07892	2.0
255.23395	0.5
281.24847	100.0
282.25211	8.3
343.01184	0.6
422.11411	0.3
483.27444	0.6
506.32501	58.6
507.32867	7.4
581.29785	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	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.6
61.98675	0.2
68.42532	0.2
70.59164	0.5
78.95776	6.1
80.96379	0.5
87.39433	0.1
93.64456	0.2
96.95882	1.0
97.17318	0.1
152.99515	1.2
154.92035	0.2
168.04219	1.3
196.89503	0.2
224.06902	0.8
242.07948	2.5
281.24844	100.0
282.25198	8.6
298.06445	0.2
506.32504	25.7
507.32877	3.0
580.28003	0.7
581.19019	0.2
599.62341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01577	1.1
78.95772	1.0
96.95885	6.5
131.03442	0.7
213.86575	0.6
220.44701	0.5
229.84521	0.6
493.07532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00504	3.5
57.03312	8.6
57.37080	4.0
59.01252	84.1
60.07824	4.1
61.98694	17.0
67.01731	4.8
71.01250	63.3
71.57021	7.6
72.99198	5.5
73.02813	8.0
78.95798	5.9
83.01250	11.1
83.04905	8.9
83.41112	4.2
85.02833	23.5
87.00769	8.3
88.42407	4.2
89.02312	43.3
90.16335	4.4
95.01263	12.1
96.95858	6.3
99.00795	4.9
101.02333	40.5
107.01289	6.7
111.00726	6.2
112.93609	7.7
113.02335	30.6
119.03380	23.8
123.00757	17.0
125.02352	36.1
139.00235	6.8
140.01068	5.3
142.28496	4.0
143.03386	6.1
151.00247	6.4
161.04448	7.0
166.99759	13.0
168.00545	5.3
169.01332	41.0
179.05513	12.6
214.99739	4.1
215.76817	4.7
245.00780	8.9
273.00235	6.2
275.01859	5.3
299.99164	8.5
300.99820	25.3
357.26294	15.8
373.18726	5.0
429.53021	9.2
459.15833	5.5
460.08890	5.1
507.18790	10.0
519.31757	100.0
520.32129	11.9
579.36084	22.9
580.23688	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	579.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	3.2
57.03322	3.3
58.00463	3.5
59.01249	100.0
61.98703	4.5
69.27048	7.1
69.27456	18.5
71.01252	63.2
72.99175	3.2
73.02812	8.9
76.87666	2.5
83.01260	7.9
85.02848	13.0
87.00750	5.7
89.02313	60.4
95.01247	7.1
96.95882	8.5
101.02320	38.2
107.01239	4.8
113.02326	26.5
119.03397	36.7
123.00777	6.4
124.33396	2.8
125.02340	13.7
131.03371	3.7
132.34431	3.0
141.12762	3.0
143.03368	7.6
149.04453	3.4
151.11104	3.2
161.04463	8.7
166.99718	6.3
168.00389	2.7
169.01331	19.1
170.01677	3.5
171.13837	2.8
179.05513	26.1
233.89943	2.7
299.98956	4.2
300.99860	12.5
301.03024	2.8
352.46799	2.7
357.26440	27.2
519.31628	61.5
520.32141	10.0
533.33197	4.9
543.23584	3.0
579.33008	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	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
63.96099	1.0
64.53939	0.8
68.36920	0.7
69.03345	0.9
71.01251	7.2
71.11990	0.9
71.12329	1.3
73.02801	3.0
78.95361	0.7
78.95776	3.2
78.98465	6.6
79.95602	9.7
80.96386	71.1
85.02822	2.2
87.00768	3.6
94.97956	17.1
96.95880	30.0
97.02821	1.4
97.12467	0.7
99.04372	0.7
101.02289	2.9
106.97952	2.6
122.97475	5.0
125.02344	3.5
127.03905	1.3
134.97469	4.8
136.99049	0.7
148.99036	6.0
152.98486	7.2
152.99516	1.1
164.98508	12.1
167.00002	1.0
182.99582	2.5
194.93716	1.2
206.99606	3.0
225.00682	18.0
243.01694	2.1
245.04303	1.7
253.21695	1.0
279.23233	3.6
279.48495	0.7
299.04388	3.0
343.00989	1.8
481.25494	1.9
579.28357	100.0
580.28699	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	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.8
60.01577	0.4
61.01675	0.6
61.98700	100.0
66.93066	0.3
71.20423	0.4
78.95788	2.9
80.96188	0.4
89.16257	0.3
91.27773	0.3
99.49741	0.3
114.47922	0.3
133.18575	0.3
152.99541	1.1
164.35074	0.3
168.04286	0.5
174.19331	0.3
174.29936	0.3
242.08134	0.5
277.21686	8.7
278.22034	12.5
279.22339	9.0
280.22672	4.3
345.99829	0.3
474.96085	0.4
502.29413	0.9
503.29807	1.0
504.29852	2.5
505.30322	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	579.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72736	0.4
59.01240	1.1
65.00202	0.5
69.74864	0.4
71.01246	1.8
71.36501	1.1
79.95621	0.5
81.03351	0.6
83.01232	0.8
84.02024	0.6
85.02821	0.9
93.03340	0.8
95.01270	1.7
96.95895	3.2
98.02412	0.5
101.02322	1.0
107.01273	1.1
107.04964	0.6
109.02840	1.9
111.00764	1.2
112.93632	1.1
121.02851	1.4
123.00758	5.2
124.01548	0.5
125.02329	5.5
135.04387	0.5
137.02354	10.1
139.00330	1.0
139.03903	0.7
147.04320	0.5
149.02357	2.0
149.05959	0.7
150.03130	1.2
151.00272	21.2
151.03894	1.9
152.01083	2.3
152.04718	2.6
153.01823	1.0
159.04477	0.6
161.02318	0.8
161.04446	0.7
163.03920	1.4
163.61819	0.4
164.04715	0.7
165.01884	1.3
166.02628	69.3
166.99767	1.9
167.03139	4.6
169.01315	5.4
173.02380	0.9
175.03931	1.9
176.01085	0.6
177.01842	3.7
178.02588	0.8
178.99866	0.6
179.03372	1.1
179.07027	0.6
181.04984	83.5
182.05258	3.3
184.03687	1.5
190.02574	0.8
190.06367	1.1
191.03471	1.4
192.04202	0.9
193.04994	1.0
195.02904	0.9
203.03535	0.6
205.01381	0.6
205.05008	1.1
205.08659	1.0
207.02939	1.8
207.06616	1.3
209.04478	1.1
214.15115	0.5
214.99704	0.6
217.01457	0.8
217.05028	0.6
219.06653	0.5
229.01451	0.6
241.77005	0.5
245.00783	0.9
247.02667	0.5
257.00870	0.6
270.98978	0.8
273.00342	0.6
286.44672	0.5
288.99658	0.5
298.98361	0.7
299.99222	0.7
300.06177	0.6
300.99918	2.7
329.10452	0.6
359.11484	1.6
369.09723	0.5
371.14874	0.8
387.10837	16.6
388.11218	1.9
390.45911	0.4
402.08127	0.8
402.13120	7.2
403.13721	1.0
417.15543	100.0
418.15891	13.1
474.23065	0.5
579.17493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23104	2.5
52.72189	1.8
59.01230	9.6
60.47623	1.9
63.45031	1.8
64.76278	2.5
71.01237	9.2
79.95582	4.0
80.96391	3.3
82.95940	2.2
84.03944	1.9
89.02299	5.2
92.08648	2.1
93.86665	2.5
96.95885	7.8
101.02303	3.2
105.94778	2.1
109.02846	2.2
109.81580	1.9
111.00700	3.4
112.93633	23.5
114.93196	36.7
114.93983	1.9
123.00752	2.5
125.02318	5.0
126.98413	1.9
133.02831	9.6
134.03571	2.5
136.49565	2.3
149.02290	3.0
169.01314	8.4
175.00235	3.8
175.03835	2.7
201.01830	2.9
209.11751	14.7
210.11913	3.5
273.00562	2.8
284.03421	5.1
285.03931	8.6
297.04019	17.7
298.04816	64.2
299.05334	9.8
300.99905	5.1
309.04068	28.3
310.04318	2.5
311.05560	3.4
316.98883	2.5
327.04999	17.6
330.03790	5.1
339.05063	7.0
341.06363	2.8
353.02563	2.7
357.06195	12.8
369.06229	2.5
429.08383	20.4
459.09320	29.3
460.09433	4.2
489.87817	2.4
579.14148	100.0
580.14209	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	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.0
71.01249	5.6
72.99169	0.6
78.95774	0.6
79.95618	0.7
85.02834	0.6
89.02311	3.9
98.19804	2.4
101.02319	0.6
109.02836	0.8
111.00786	0.6
112.93612	1.4
113.02332	0.8
114.93166	0.9
121.02827	1.0
125.02349	1.3
126.24759	0.5
131.01271	1.0
132.01976	0.5
133.02846	8.9
134.03577	1.8
135.43739	0.6
140.94136	0.6
148.01657	0.5
149.02255	0.6
159.04478	0.6
163.00316	3.0
163.03911	0.6
164.00803	0.6
165.01779	1.3
169.01286	1.6
173.02289	0.7
173.71301	0.7
175.00267	3.1
175.03934	0.9
191.03265	0.8
193.01338	0.8
201.01845	1.3
225.05441	0.7
227.03465	0.6
229.05061	0.8
230.26738	0.7
239.03270	0.6
241.05017	1.2
253.04796	1.1
253.37094	0.6
255.02960	0.9
256.03662	0.8
263.02441	0.6
265.04901	0.7
267.02802	0.8
269.04471	2.0
270.05295	0.9
281.04526	1.3
282.05240	1.7
284.03192	3.7
285.04004	9.0
286.04401	1.0
297.04016	14.3
298.04797	68.0
299.05280	10.2
300.99789	1.4
309.04025	35.2
310.04449	3.8
311.05508	3.1
313.03439	0.7
324.02972	0.8
325.03558	3.6
326.04205	4.2
326.28027	0.6
327.05063	19.4
328.05426	2.0
330.03912	4.8
337.03461	0.8
338.04169	1.5
339.05038	8.8
340.05484	1.3
341.06683	1.7
351.05063	2.7
353.02939	3.3
355.04413	0.7
357.06155	11.1
358.06467	1.0
367.83646	0.6
369.06158	2.8
371.07553	0.7
381.06149	1.2
385.05768	1.0
393.06158	0.7
411.07016	0.8
429.08237	24.7
430.08331	2.7
437.82233	0.6
446.08374	0.9
447.09201	2.6
459.09338	31.9
460.09805	4.5
521.08905	1.4
561.12207	1.7
579.13519	100.0
580.13910	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52042	0.2
57.52278	0.2
59.01251	22.3
61.98695	0.3
69.94070	0.5
69.94489	0.6
78.95776	23.2
80.96408	1.2
96.89194	0.2
96.95834	0.2
96.96834	0.3
120.74678	0.2
122.98390	0.4
124.99141	0.2
125.02300	0.2
134.98360	0.3
152.99510	3.2
164.98462	0.3
168.04228	3.5
194.05957	0.2
194.99115	0.2
224.06877	9.0
225.07277	0.2
242.07948	2.4
261.22241	0.4
279.23279	100.0
280.23602	9.5
498.10098	0.2
504.30957	61.8
505.31287	8.6
505.38965	0.3
579.28436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.7
60.01572	0.3
61.47226	0.1
66.62381	0.1
70.44921	0.1
71.01250	0.3
71.56007	0.2
78.95779	5.7
78.98453	0.2
79.95594	0.2
80.96396	1.9
82.73102	0.1
82.96015	0.2
94.97955	0.5
98.58872	0.1
134.97507	0.2
136.80235	0.1
152.98489	0.1
152.99539	1.1
164.98582	0.2
168.04205	1.4
183.06557	0.2
224.06931	0.9
225.00795	0.2
242.07942	2.8
243.08232	0.2
261.22238	0.3
279.23279	100.0
280.23618	10.7
504.30966	26.5
505.31314	3.9
578.27106	2.8
579.26727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25730	0.5
59.01250	11.8
60.01588	1.4
61.01694	0.5
61.98702	100.0
69.79721	0.4
70.90449	0.4
71.01257	1.4
71.56384	0.5
71.56822	0.7
73.02799	0.6
79.95605	0.6
80.96391	0.5
82.78461	0.5
85.02814	0.6
87.00774	0.5
89.02331	0.5
96.95898	0.9
101.02357	1.5
113.02365	0.5
158.54196	0.5
161.04431	0.9
197.84093	0.5
199.22589	0.4
218.09581	0.4
294.27762	0.4
403.04874	1.0
475.03912	0.5
517.33563	1.7
518.33630	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3746
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
55.02285	0.2
59.01249	100.0
60.01576	0.8
66.68568	0.3
78.95776	0.5
86.03425	0.3
88.51035	0.3
89.90863	0.3
101.02302	0.5
131.03392	1.0
143.47879	0.3
165.24434	0.3
166.11990	0.3
210.64667	0.3
315.79086	0.3
318.78961	0.3
374.83414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03318	1.6
59.01248	100.0
60.01596	1.3
61.98698	13.3
65.93819	1.1
71.01249	10.4
73.02831	4.0
75.00729	1.1
78.95773	11.3
83.01260	3.0
85.02372	1.6
85.02811	7.7
89.02314	2.0
95.01309	1.1
96.95869	2.3
99.00738	2.6
101.02315	10.8
111.00750	1.5
113.02364	5.2
113.24048	1.0
125.02320	2.1
144.06544	1.1
152.99490	1.5
153.35808	1.1
159.02831	1.6
161.04416	4.3
169.01321	1.6
171.00549	2.6
355.28439	4.2
405.25656	1.1
517.33771	93.0
518.34070	15.9
578.30939	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	577.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75685	0.4
55.01753	0.8
57.03326	0.8
58.69360	0.3
59.01250	100.0
60.01579	0.7
61.98699	1.0
69.03331	0.5
69.31646	1.1
69.32059	2.2
69.35513	0.3
71.01252	14.7
72.99184	0.8
73.02820	3.9
75.00739	0.5
82.23217	0.4
83.01247	1.9
85.02820	6.4
87.00768	1.0
89.02303	3.1
89.02728	0.3
95.01278	1.6
95.94164	0.4
96.95911	0.5
97.02837	0.5
99.00764	1.9
101.02325	9.4
101.92969	0.3
108.63981	0.4
111.00769	0.7
113.02322	5.7
119.03411	1.2
122.43134	0.4
125.02352	0.8
143.03410	0.8
159.02919	1.5
161.04453	7.9
162.04816	0.4
167.14340	0.3
169.01309	0.6
185.15421	0.5
205.03436	0.6
300.99585	0.4
337.27704	0.5
355.28479	2.1
458.62366	0.4
499.32288	0.7
517.33813	73.5
518.34186	12.2
547.66431	0.4
577.31012	0.6
602.15967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00439	0.7
59.00989	1.1
59.01251	14.9
70.85125	2.1
71.01231	2.9
89.02311	2.7
101.02328	2.7
113.02294	1.6
114.07886	0.8
161.04414	1.3
199.40482	0.9
235.08125	1.8
253.09233	11.8
281.24841	100.0
282.25226	10.1
529.44635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.03323	1.5
59.01249	99.9
60.01595	0.8
61.98707	1.2
69.42932	3.0
71.01251	14.0
72.99167	0.7
73.02821	5.2
83.01255	3.1
85.02818	7.5
85.99979	0.6
87.00793	0.9
89.02318	2.3
93.70508	0.3
95.01275	1.5
96.95866	0.4
97.02885	0.4
98.19786	0.7
98.43288	0.4
99.00752	2.1
101.02319	10.1
103.72127	0.5
111.00780	1.2
113.02324	5.3
125.02333	1.0
129.01889	0.6
143.03426	0.9
154.20638	0.4
159.02928	1.4
161.04472	5.7
185.15384	1.0
252.91368	0.4
337.27707	0.5
353.47333	0.4
355.28580	3.4
356.28802	0.5
375.00885	0.4
499.32822	1.7
517.33789	100.0
518.34155	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83224	0.1
56.51232	0.1
59.01251	16.5
60.84751	0.1
63.96101	0.5
69.03329	0.2
69.28185	1.3
71.00890	0.2
71.01253	3.5
72.24247	0.1
73.02821	0.7
78.95310	0.3
78.95777	6.5
78.98463	2.9
79.95603	4.6
80.96391	31.6
81.03320	0.4
81.96298	0.2
85.02816	1.3
85.42166	0.1
87.00747	1.3
94.97964	7.3
96.95892	0.7
96.96840	0.3
97.02827	0.6
98.19816	0.2
99.00759	0.3
101.02328	1.1
106.97982	1.2
113.02322	0.2
122.97489	1.4
125.02331	1.4
127.03871	0.4
134.97488	2.0
136.99025	0.9
140.08893	0.1
146.97514	0.2
148.99051	2.9
149.00244	0.2
152.98515	2.6
152.99536	1.1
159.02718	0.1
164.98544	6.0
167.00117	0.2
168.04222	1.4
206.99664	1.0
224.06866	1.0
225.00696	7.1
226.01019	0.2
230.17574	0.1
242.07985	2.4
261.22284	0.4
277.21698	0.9
278.24606	0.1
279.23276	100.0
299.04410	1.4
358.25961	0.1
504.30957	27.6
577.26855	33.1
578.27185	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
63.77520	0.3
63.96106	1.1
66.31451	0.3
68.29760	0.3
69.03320	0.8
70.99828	0.6
71.00137	0.4
71.01250	7.3
73.02814	1.8
78.98462	6.9
79.95601	10.6
79.96078	0.5
80.96387	75.9
81.03315	1.3
83.01263	0.6
85.02820	2.5
85.41647	0.3
87.00742	2.6
90.28767	0.3
94.97960	18.3
95.01244	0.4
96.95892	1.1
97.02834	1.8
99.00715	0.6
101.02324	2.9
106.97942	3.3
113.02334	0.5
121.99374	0.4
122.96654	0.5
122.97462	5.8
125.02355	3.1
127.03900	0.7
134.97469	4.8
136.99039	1.6
143.03377	0.4
148.99042	6.5
152.98547	7.6
155.00002	0.4
164.98535	12.0
167.00107	0.5
179.00082	0.5
182.99605	3.0
206.99609	3.5
211.01263	0.4
225.00696	18.9
226.01012	0.6
230.74699	0.4
243.01772	1.9
248.47139	0.3
277.21698	2.4
299.04379	2.9
311.25873	0.4
462.46072	0.3
577.26855	100.0
578.27142	15.7
586.73688	0.4
593.77087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65150	0.8
59.01247	4.1
69.22415	8.0
71.01236	2.6
72.99181	0.8
79.95602	9.2
80.96390	8.3
83.04874	2.1
86.98995	1.0
89.02290	2.5
96.95891	9.3
98.20593	1.8
98.95450	1.4
101.02324	1.7
111.00746	0.9
112.93611	94.7
113.02317	2.2
114.95232	0.7
125.02298	2.0
125.09617	0.9
132.46846	0.8
140.00638	0.8
161.04451	1.1
164.58739	0.7
165.12697	1.4
166.99718	1.3
169.01396	2.2
182.64117	0.8
207.10173	0.9
209.11781	28.0
209.13771	1.5
210.12137	1.6
217.08986	1.2
227.12846	3.7
253.09251	3.0
300.99814	1.3
314.99509	0.8
316.99380	0.9
335.66589	0.8
340.00339	0.8
495.05905	2.4
497.06094	3.5
533.03778	1.0
577.16272	100.0
578.16748	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	577.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.3
64.54504	0.4
70.31117	0.8
70.31470	1.4
71.01243	2.5
71.48080	0.5
76.47414	0.5
78.77563	0.5
79.95600	11.1
80.02534	0.8
80.96393	9.4
81.03327	0.7
83.04890	1.8
84.02045	0.7
85.02817	4.1
85.89977	0.5
86.98969	1.2
89.02310	1.9
94.07085	0.5
95.04898	0.6
96.95889	26.3
101.02312	2.5
104.33611	0.5
107.01305	0.6
109.06454	1.0
112.93610	100.0
113.02316	1.2
123.00784	0.6
125.02338	1.8
129.01799	0.6
135.08134	0.6
143.04597	0.5
145.54453	0.5
147.02968	0.6
149.02383	0.5
161.02306	0.7
161.04466	0.6
163.11208	2.2
165.05490	0.5
165.12692	1.1
166.99835	0.6
169.01291	2.4
191.01938	1.4
207.10194	1.4
209.11761	33.3
210.12094	1.8
217.08957	1.7
219.16811	0.5
227.12845	2.8
253.09288	1.8
268.94449	0.6
300.99777	1.4
314.99701	2.5
316.99478	1.4
370.10226	0.5
393.82977	0.5
415.08487	0.9
425.09695	0.6
491.19089	1.6
492.08713	0.6
495.06030	1.1
497.05914	2.2
539.21143	1.4
577.16278	90.4
578.16736	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	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
61.98703	6.0
69.04659	0.3
70.33733	0.7
71.29687	0.3
75.33424	0.3
78.95774	9.7
80.96333	0.4
94.92331	0.3
98.19803	0.3
99.06370	0.3
121.02832	7.1
122.03175	2.6
140.01062	2.5
147.04375	0.4
152.99506	1.5
182.55356	0.3
191.03410	5.6
192.03732	3.2
196.03729	1.2
204.68303	0.4
214.04802	3.1
261.18576	0.4
277.21384	0.3
299.96695	0.3
342.22403	0.3
347.25854	8.7
348.26367	1.1
349.27588	0.5
379.28500	100.0
380.28836	13.0
576.33136	10.1
576.41187	0.2
577.33502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	30.2
59.79302	0.3
70.62795	0.5
70.63128	0.9
71.01248	2.1
73.02833	0.4
78.95776	28.5
78.98468	1.6
79.95614	1.6
80.96389	16.2
85.02840	0.8
85.98466	0.4
87.00745	0.8
94.97955	4.5
96.95874	0.4
96.96839	0.4
101.02308	0.6
106.97993	0.7
122.97448	1.6
122.98296	0.6
125.02369	0.9
134.97488	0.8
134.98445	0.5
137.04651	0.4
148.99051	1.3
152.98494	1.1
152.99567	3.2
164.98550	1.9
168.04219	4.2
182.99667	0.6
194.05792	0.5
206.99655	0.8
215.84550	0.4
224.06903	11.4
225.00702	3.7
225.07285	0.4
233.22717	0.5
242.07954	2.6
259.20648	0.6
275.20203	0.8
277.21719	100.0
278.22064	8.2
299.04443	0.9
320.16962	0.4
502.29404	70.4
503.29700	9.5
518.38019	0.4
577.26868	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.6
71.06112	0.4
74.08206	0.2
78.95773	8.1
83.04929	0.2
123.97985	0.1
140.48784	0.1
152.99471	1.5
168.04221	1.9
181.26831	0.2
224.06831	1.5
226.44902	0.1
233.22748	0.4
242.07961	3.5
259.20581	0.4
275.20215	0.5
277.21704	100.0
278.22058	9.0
395.31458	0.2
429.70770	0.2
502.29382	29.1
503.29697	4.0
506.95825	0.2
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
59.01249	2.5
60.01598	0.6
61.01688	0.3
61.98701	100.0
69.94423	1.5
71.01286	0.4
73.56139	0.3
74.88263	0.3
79.86867	0.3
80.96408	0.3
83.32431	0.2
84.77616	0.2
89.02322	0.4
101.02286	0.3
102.93986	0.3
105.93820	0.3
152.24438	0.3
253.09373	0.5
254.09645	0.7
255.09755	0.9
256.10068	0.3
277.21735	4.9
278.22058	9.0
278.24973	0.5
279.22324	4.8
280.22653	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46873	0.2
59.01250	1.7
60.01588	0.3
60.02780	0.2
61.98701	100.0
71.01279	0.4
73.02829	0.2
75.71706	0.2
78.95808	0.3
98.19730	0.5
101.02381	0.4
146.14409	0.2
159.53818	0.2
161.04340	0.2
164.60101	0.3
253.09296	0.3
254.09769	0.7
255.09799	0.8
277.21689	3.3
278.22058	6.1
279.22357	3.5
280.22607	2.2
347.80060	0.3
399.60547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04485	0.2
55.01759	0.6
57.03306	0.5
57.17759	0.2
59.01249	100.0
60.01593	1.1
61.98699	1.2
69.32066	0.2
69.32462	1.8
70.22557	0.2
71.01253	7.2
71.82310	0.2
72.70115	0.2
72.99189	0.5
73.02821	1.8
78.95792	0.4
79.95599	0.3
83.01275	1.1
85.02815	3.9
86.03187	0.2
87.00746	0.4
89.02318	2.1
89.08393	0.2
95.01263	0.7
96.95892	0.3
99.00769	0.8
101.02322	5.1
111.00789	0.2
113.02332	3.3
119.03431	0.5
119.15124	0.2
120.78087	0.2
125.02328	0.5
128.61591	0.2
130.64296	0.2
131.04576	0.2
143.03406	0.5
159.02921	0.7
161.04456	3.5
169.01299	0.4
213.18599	0.2
225.18648	0.2
242.99039	0.2
291.26816	0.5
294.65585	0.2
309.10233	0.3
309.28067	0.2
335.25800	0.5
353.23361	0.2
353.26984	1.3
354.27112	0.2
497.31497	0.3
515.32227	44.0
516.32611	6.5
516.40338	0.4
575.32800	0.3
579.79034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03326	0.4
59.01250	100.0
60.01585	1.3
61.98703	3.3
66.92492	0.4
70.85757	0.8
71.01252	10.5
72.99186	0.5
73.02818	3.3
83.01241	2.0
85.02810	4.3
85.99978	0.6
87.00768	0.7
88.03921	0.5
89.02325	2.6
95.01254	0.9
96.95911	0.9
99.00760	1.4
101.02317	7.0
109.34792	0.3
111.00742	0.5
113.02340	3.4
117.27464	0.4
120.22546	0.3
125.02378	1.0
131.03377	0.6
143.03384	0.4
149.04471	1.0
159.02951	0.6
161.04430	2.3
169.01396	0.4
173.36777	0.3
202.99648	0.4
213.18607	1.1
225.18820	0.4
250.98763	0.4
295.83896	0.4
299.99216	0.4
309.28040	1.0
353.27005	2.0
354.27527	0.4
497.31586	0.9
497.68414	0.4
515.32281	65.0
516.32642	9.0
575.12177	0.4
575.33789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	5.3
58.02853	4.2
59.01247	36.1
59.13005	3.1
61.98705	4.6
71.01252	62.6
71.57046	4.7
73.02811	24.2
83.01259	6.9
85.02830	29.3
89.02303	20.2
95.01205	3.8
96.95864	8.8
99.00749	12.5
101.02326	37.6
113.02351	19.3
114.01862	3.4
119.03313	5.1
125.02328	5.6
131.04492	4.2
135.08119	2.9
161.04468	26.7
223.13438	3.1
253.09377	5.6
293.21268	16.4
300.23868	3.4
305.30606	3.2
383.24429	23.8
515.28558	100.0
515.36182	6.7
516.28857	12.1
575.33325	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	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51389	0.5
59.01247	10.6
62.19067	0.6
69.22224	0.5
71.01239	2.2
71.47477	0.5
71.56606	1.1
75.42412	0.6
78.95767	1.3
88.93862	0.6
89.02321	1.6
96.95876	1.1
101.02325	2.4
113.02330	0.8
119.03377	0.7
156.49258	0.5
161.04482	1.3
235.08167	1.7
253.09238	13.3
254.09578	1.2
279.23270	100.0
280.23602	8.6
330.17581	0.6
393.60037	0.6
408.81378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.0
57.03318	3.9
58.00458	3.6
59.01251	71.7
61.98697	13.6
62.77270	1.5
69.03304	3.2
69.68507	6.1
69.68929	4.4
71.01254	68.4
72.01565	1.8
72.99184	2.6
73.02811	13.5
75.00714	1.5
76.30854	1.6
79.95631	1.9
83.01260	10.9
85.02822	22.1
87.00739	2.8
89.02312	39.1
95.01233	3.4
96.95871	3.5
97.02820	3.6
99.00768	8.6
101.02312	38.3
111.00745	4.8
113.02328	19.8
125.02319	5.7
127.57229	1.7
129.01810	1.5
131.03400	23.0
141.80934	1.6
143.03362	3.3
149.04462	15.5
159.02893	3.2
161.04446	20.0
191.05511	4.7
218.23918	1.7
233.06747	2.4
239.40263	1.7
243.70998	1.5
253.09224	2.0
293.21140	3.8
297.41144	1.8
322.27045	1.6
383.24420	20.2
384.24390	3.7
388.20743	1.7
515.28619	100.0
516.29034	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	575.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03329	0.7
58.00484	0.7
59.01247	7.8
69.26418	5.1
71.01254	6.4
72.99184	0.8
73.02826	1.3
78.22358	0.4
83.01247	0.9
85.02804	2.5
88.98689	0.5
89.02302	3.3
91.01778	2.0
93.03347	2.2
95.01274	0.9
96.95895	9.0
96.96865	0.5
98.19813	0.8
99.00742	0.7
101.02322	3.2
112.87596	0.4
113.02327	2.1
119.01270	7.0
119.03326	0.5
121.02831	3.8
121.06479	0.9
125.02331	1.1
134.03610	1.2
135.04382	2.3
137.02457	0.6
137.09605	6.3
137.25412	0.4
147.00772	6.5
147.04404	1.3
148.01480	0.5
149.02341	18.8
150.03061	1.5
152.01073	1.8
161.02396	0.7
161.04343	0.7
162.03148	1.0
163.03900	4.2
164.04692	19.8
165.01794	2.4
165.05347	1.1
169.01306	1.4
174.72560	0.5
175.00284	41.6
176.00734	1.6
177.05428	0.5
179.07062	3.6
181.04994	0.5
189.01782	0.8
189.12837	0.5
190.02637	100.0
191.03093	6.5
192.04173	0.5
193.01364	0.6
194.02185	0.9
203.07050	1.0
205.04994	86.6
206.05457	6.4
207.02982	0.7
207.06583	1.3
208.03671	2.4
209.04463	2.7
221.08121	4.4
223.06065	37.0
224.06412	1.7
237.07693	2.6
247.06050	2.6
250.04776	1.0
251.05516	1.4
265.07159	36.0
266.07523	2.4
295.08194	23.1
296.08640	1.2
299.99179	0.5
300.99939	0.6
311.07681	1.3
325.09259	32.6
326.09613	2.2
327.98068	0.5
367.10388	1.4
385.11349	9.0
386.11871	0.8
404.79926	0.7
416.98322	0.6
430.01035	0.6
560.22339	0.6
575.24890	46.7
576.25031	7.8
576.32642	0.7
578.60815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08408	0.1
59.01236	0.3
61.98705	0.3
64.16646	0.1
71.01232	0.2
79.95606	2.3
96.95885	100.0
97.47745	0.1
97.95818	0.4
99.05396	0.2
107.01303	0.1
113.02242	0.2
123.00757	0.3
125.02346	0.3
131.23518	0.1
132.34998	0.2
134.45566	0.1
151.00363	0.1
151.97899	0.1
158.85815	0.1
166.99823	0.2
169.01323	0.5
229.49107	0.2
234.37015	0.2
255.02838	0.2
271.02496	0.6
300.02728	1.8
300.99799	0.2
315.05130	1.2
317.84885	0.2
326.98016	0.1
384.81955	0.1
397.99478	0.5
413.01807	0.8
477.10257	1.4
575.07458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.6
59.01247	8.6
59.01712	0.4
65.00183	1.5
71.01247	4.4
76.56612	0.5
79.95594	0.5
83.01255	1.1
85.02833	1.0
89.02319	3.3
96.95895	3.5
101.02325	2.0
107.01280	2.7
112.93597	0.8
113.02313	0.7
119.03342	0.9
125.02335	2.5
151.00269	9.6
153.00034	1.4
156.97411	0.5
165.00063	1.4
169.01309	1.3
173.53188	0.4
178.97995	1.4
178.99609	0.6
179.98761	4.4
180.99579	4.3
204.99637	1.0
206.97522	1.5
215.01576	0.7
216.99640	0.5
219.01175	0.8
228.99539	0.8
241.00215	1.1
243.01216	1.4
247.00693	1.7
255.02948	0.7
259.00687	0.7
268.98959	0.5
269.99982	0.7
271.00412	2.8
287.00171	3.7
297.99158	0.6
299.01917	1.5
300.02707	3.8
313.98886	8.2
314.99673	92.6
315.99951	6.6
333.00739	8.3
334.01035	1.2
379.92062	0.5
495.06018	100.0
496.06308	11.7
575.01666	7.8
575.20428	1.0
576.01965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.0
60.02954	1.0
61.71296	1.0
61.81687	0.9
63.49829	1.1
65.00193	2.7
71.01268	1.4
85.02800	1.0
89.07786	1.0
96.95882	3.4
103.96464	1.1
107.01258	4.0
123.00790	2.0
125.02318	4.4
151.00272	9.6
161.02216	1.1
166.99768	2.1
169.01422	5.3
178.99664	1.3
180.99522	2.2
191.03328	1.1
193.01343	2.3
194.97533	2.4
195.98293	3.9
201.00076	1.9
201.01749	1.4
203.03375	1.8
204.99431	1.4
215.03432	1.3
220.98941	1.2
228.99445	1.9
231.02950	1.2
232.99118	1.9
256.99017	2.5
259.00406	1.6
259.02686	2.3
269.00922	1.7
271.02420	3.1
272.98593	16.9
275.00128	6.3
284.98740	1.5
287.01901	4.7
299.02002	1.1
299.99072	1.6
300.97943	15.4
301.98416	2.1
302.99664	3.4
310.72806	1.1
312.98257	1.3
315.01514	11.4
316.02176	5.9
328.97604	73.9
329.98270	29.6
330.99152	97.6
331.99490	8.7
349.00198	3.0
493.04468	17.1
494.04391	1.4
495.06046	100.0
496.06274	9.6
575.01385	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	573.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55373	4.4
53.89892	3.8
58.73058	3.5
59.01258	22.5
60.83142	3.6
60.94719	3.6
61.98695	18.6
69.42014	35.2
69.81236	4.2
71.01254	13.3
71.14408	4.2
75.00771	6.6
79.95609	6.5
85.02818	4.5
89.02327	7.7
94.97964	15.4
95.01248	10.6
96.95883	22.5
97.02806	5.3
101.02333	7.5
107.01273	24.1
111.00758	4.7
113.02313	5.7
123.00785	22.0
125.02335	73.5
126.02734	4.2
139.00243	7.7
139.41069	4.5
151.00252	4.4
153.01851	3.7
163.00276	6.3
166.99814	10.0
169.01340	100.0
170.01654	8.3
181.01250	4.4
201.01917	6.9
203.03430	3.9
217.01466	5.5
245.00856	6.8
247.02396	6.3
270.98904	6.0
273.00339	6.2
275.01962	9.8
275.25272	5.2
300.99921	29.9
315.05383	4.4
363.03513	5.5
375.27432	5.3
413.99561	5.0
421.11307	13.2
520.09802	4.8
573.12610	17.1
573.22278	13.5
573.31104	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	571.2884
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.45220	0.7
59.01233	1.5
78.95772	80.3
79.95537	0.7
96.95881	1.1
96.96832	15.2
98.19776	2.1
113.29671	0.7
150.97893	1.2
152.99478	65.4
153.99773	1.0
171.00560	1.5
180.93507	1.2
186.86441	4.7
208.93025	1.6
223.00052	2.5
241.01126	30.0
242.89104	7.6
255.23256	79.2
256.23541	7.3
260.90152	1.7
283.57330	0.8
298.96255	1.4
315.04865	10.4
316.92615	1.5
330.95349	1.0
334.93732	6.2
335.94302	0.8
391.22525	5.9
571.14539	3.0
571.28827	100.0
572.29230	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	571.1825
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
53.16350	0.3
59.01249	8.2
61.98711	2.3
65.00215	0.7
67.01765	1.2
68.99699	0.4
69.03323	1.4
69.98015	0.4
71.01247	2.9
71.04903	1.7
75.00768	0.8
78.95782	0.4
79.01765	0.7
80.96412	0.4
81.03339	0.8
83.00848	0.3
83.01279	1.6
85.02846	0.6
87.00744	0.6
87.14627	0.4
89.02338	1.1
93.03362	0.7
95.01256	3.3
95.04885	0.6
96.95901	0.9
96.99160	0.4
97.02799	1.8
99.00742	0.6
101.02333	1.2
107.01270	14.7
109.02856	1.3
109.99964	0.6
111.00762	3.6
113.02336	0.8
121.02849	1.5
123.00774	14.3
123.04386	0.5
124.01572	12.4
125.02338	45.2
126.02693	1.5
127.00266	1.7
136.98726	2.3
137.02333	2.8
138.03130	5.1
139.00266	5.8
139.03914	20.4
140.01065	6.5
140.04262	0.6
141.01802	1.0
142.18846	0.4
150.03168	0.8
151.00305	2.0
153.01808	1.0
153.05466	2.9
154.99728	0.5
161.04498	0.5
165.01929	0.6
165.05556	0.5
166.99763	4.0
167.03368	0.8
168.00560	11.8
169.01338	58.1
170.01683	2.9
173.02341	0.7
175.03963	0.7
181.01346	11.0
181.02847	0.8
182.02026	1.6
183.02911	27.2
184.03253	0.9
187.00227	0.5
187.03993	0.8
188.01143	0.5
191.03442	0.4
195.02940	1.5
197.04514	4.2
203.03366	0.4
205.04883	0.6
206.05736	0.7
209.11708	0.5
214.99828	0.4
216.00568	0.5
217.01286	0.7
219.06693	0.8
227.12834	1.6
229.01358	0.5
229.83220	0.4
242.99269	0.8
245.00787	0.6
270.98868	0.6
273.00549	0.5
275.01843	1.2
285.04001	2.4
286.04398	2.2
287.04532	2.1
293.42511	0.4
299.99051	1.5
300.99844	4.0
302.00262	0.4
313.07016	0.7
329.16144	0.5
330.16385	0.7
331.16559	0.6
341.10321	0.6
349.20020	0.7
357.09787	1.0
359.11319	1.5
371.11298	1.2
373.12830	0.7
419.16974	0.7
511.25156	1.3
541.13672	0.5
556.15588	2.9
571.18085	100.0
572.18530	16.6
572.25952	0.3
572.27692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69264	0.7
59.01250	15.1
61.98703	3.8
65.00190	0.8
67.01744	0.8
69.33871	1.3
69.34274	5.8
70.02838	0.6
71.01250	5.7
71.93742	0.8
73.02822	1.3
75.00754	4.8
79.95599	2.0
85.02826	1.7
87.00757	0.9
88.03909	6.9
89.02328	3.5
92.88721	0.6
95.01264	2.7
95.04951	0.9
96.00794	0.9
96.95900	5.3
97.02827	1.6
101.02320	3.1
104.39182	0.7
107.01257	2.9
109.92267	0.8
111.74801	0.8
113.02335	2.0
114.01875	1.3
115.00251	2.1
119.03376	1.8
119.04908	2.2
123.00748	7.8
124.01593	0.9
125.02333	11.0
131.04523	2.3
132.02884	6.4
135.00854	0.7
137.02376	0.8
139.00270	1.8
140.01065	1.0
143.01187	0.7
145.02858	1.6
147.04440	2.0
149.02359	1.4
157.02797	1.0
158.03650	15.4
159.04436	4.6
161.04436	1.4
163.03960	4.2
164.04750	1.0
166.99800	5.8
168.00578	3.7
169.01341	15.5
171.00847	0.7
171.04454	1.8
173.02335	0.9
175.00293	1.5
175.03932	1.7
176.00978	1.6
177.01855	1.5
179.95877	0.9
187.00354	1.6
189.02003	0.9
190.02632	3.5
191.03407	3.6
197.21143	0.7
201.01852	2.9
201.05498	2.6
202.02650	100.0
203.03149	8.9
205.04968	2.4
206.01982	0.8
209.04506	1.1
213.05452	3.3
214.99782	3.1
217.01369	2.0
223.05989	0.9
229.01392	1.5
231.02937	0.9
231.06512	1.0
242.99434	1.4
245.00955	1.8
245.04466	1.3
259.99423	1.0
270.98828	1.9
273.00476	1.4
275.01917	4.6
275.05579	2.4
277.45126	0.7
298.98370	2.2
299.99088	4.5
300.99896	7.9
349.19467	0.9
353.08685	1.7
365.08713	3.7
373.25546	0.8
415.93985	0.8
429.53036	0.9
430.03433	0.8
451.52826	1.1
452.02765	0.9
456.51868	0.8
457.01767	0.8
511.25305	1.6
527.15869	1.9
539.12268	2.5
571.14600	53.0
571.28363	5.1
572.14838	9.5
572.28729	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	571.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20626	0.3
57.03326	4.0
59.01247	1.6
63.02261	0.4
64.22617	0.3
64.63766	0.3
65.00188	3.4
67.01772	0.4
71.01241	0.7
71.27682	0.3
74.76171	0.3
81.03337	2.4
83.01251	5.0
92.53981	0.4
93.03339	2.6
95.01234	1.1
101.02332	0.4
107.01269	5.1
109.02837	1.0
111.00800	0.8
117.03345	0.4
121.02812	0.4
123.00764	1.9
123.04372	0.8
124.01567	2.7
125.02331	37.1
126.02656	1.4
131.04907	0.9
133.02827	1.9
135.04379	0.7
137.02310	0.6
139.00249	0.5
145.02870	0.5
149.02377	0.7
149.05927	0.4
150.03111	0.9
151.00269	11.8
152.01053	9.4
153.01775	1.2
156.05762	0.6
157.06476	0.9
158.03648	0.7
159.04376	1.0
165.01897	1.4
165.05461	0.4
166.99722	1.0
169.01334	3.9
171.04440	0.3
172.05254	1.8
173.05981	6.0
175.03874	1.5
177.05478	3.2
178.99767	5.3
187.07564	0.7
195.06543	0.4
197.05922	0.3
199.03831	0.4
199.07549	1.5
200.04694	0.7
201.05511	3.2
203.03397	0.7
211.02394	0.3
213.05423	0.5
215.07060	6.8
215.08975	0.5
216.07573	0.4
219.06401	0.4
241.05074	2.2
243.06564	5.5
247.02336	0.4
259.06085	83.2
260.06424	5.1
261.00098	0.4
268.03787	1.0
269.04474	4.8
270.04889	0.5
273.00494	0.6
287.05600	100.0
288.05905	7.4
299.99191	0.4
300.99857	1.0
373.18777	0.7
412.21173	0.4
419.09741	1.1
419.83893	0.4
480.65924	0.4
571.11115	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	569.3098
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
52.48658	2.7
54.73660	2.9
59.01247	39.6
61.98716	19.4
62.44289	2.3
69.59556	19.3
71.01260	26.8
73.02824	7.1
75.00754	26.9
83.01243	4.1
85.02814	8.9
87.04390	68.2
88.03323	2.2
88.03908	3.6
89.02303	14.6
93.13805	2.7
95.01299	3.1
96.95874	11.0
98.20607	5.5
101.02314	18.2
102.62895	2.8
109.02834	3.1
111.00767	3.5
113.02325	7.0
113.03397	3.3
119.03310	3.6
123.00781	5.8
125.02328	13.9
125.03111	2.6
131.03427	6.0
131.04445	3.6
132.02888	2.9
149.04449	3.9
169.01323	14.4
201.01941	3.2
271.91882	3.0
293.92776	2.5
301.00092	4.7
377.21863	4.3
421.20828	5.6
509.25839	27.9
510.26376	5.9
533.33307	16.6
569.31415	100.0
570.31866	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03305	0.9
58.00460	1.4
59.01249	53.2
59.79649	0.5
61.98698	4.9
71.01250	32.6
71.44373	0.9
72.99169	2.8
73.02834	0.7
75.00756	0.8
78.95786	1.0
80.25125	0.5
82.02042	0.5
83.01211	1.3
84.01509	0.5
85.02813	5.0
87.00755	2.7
89.02313	47.5
90.02678	0.6
92.45506	0.5
94.18768	0.6
95.01256	2.2
96.95891	2.4
97.02812	1.2
101.02316	16.7
107.01227	1.2
113.02329	11.5
119.03387	17.5
119.08534	0.7
121.02846	0.6
121.06460	0.7
121.77435	0.6
123.00768	2.8
123.08066	0.6
125.02346	4.7
131.03394	2.2
134.03590	0.6
135.04370	1.0
135.08047	1.5
137.09610	6.0
139.00301	0.8
143.03404	3.2
149.04463	1.7
149.05983	2.6
149.09634	2.7
150.03140	1.5
151.00244	1.3
151.03915	0.6
161.04471	4.8
165.05432	0.9
165.09174	0.8
167.10686	100.0
168.00543	0.8
168.11024	4.6
169.01332	5.6
170.01698	0.6
175.07605	0.8
179.05537	10.9
179.07002	0.5
195.06647	0.9
223.42056	0.6
285.04044	1.1
285.18475	1.0
299.99149	0.7
300.99698	1.2
303.19501	0.8
329.17538	3.7
344.25940	0.5
347.18555	4.9
371.18793	1.0
491.84637	0.6
509.24081	0.8
521.18085	0.7
523.34766	1.2
569.10175	0.6
569.26147	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	569.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.1
59.01247	6.1
59.01488	0.6
66.27349	0.6
69.24573	1.3
69.24979	5.1
71.01256	6.9
72.99177	1.1
73.02806	3.0
75.00755	0.9
83.01275	1.0
85.02813	3.4
89.02343	2.4
90.80254	0.6
93.03328	2.9
95.01298	1.7
98.19733	1.3
101.02316	6.3
107.01238	0.7
108.02077	0.6
109.02855	0.8
111.00772	1.1
113.02332	2.6
119.03342	0.9
121.02820	4.4
122.03637	12.5
123.00764	1.3
123.04431	2.0
125.02347	2.7
133.02881	2.1
134.03633	0.9
135.04407	0.7
136.01555	1.7
137.02339	2.2
138.03133	1.2
139.00317	1.3
141.01784	0.7
147.04456	0.6
148.01582	1.3
149.02345	25.1
149.05997	1.0
150.03130	88.5
151.03671	4.0
153.01869	5.0
153.05482	1.2
162.03143	0.9
163.03963	3.3
164.04692	5.7
165.01797	2.4
165.05481	100.0
166.02650	4.3
166.05806	4.0
166.99808	1.2
167.03439	4.4
168.03845	0.6
169.01338	4.4
171.53799	0.6
177.01938	1.1
177.05467	1.0
179.03400	1.3
179.07031	0.6
180.04214	6.7
181.04968	19.9
182.05412	0.7
187.20573	0.6
195.06555	65.1
196.03709	8.8
196.07306	14.2
197.04495	6.8
197.07623	0.7
198.05255	0.6
210.26414	0.6
211.06104	10.0
211.09679	20.8
212.06828	8.4
212.10025	0.7
226.20747	0.6
227.05696	1.2
227.09201	18.7
228.09569	0.8
273.00323	0.8
285.00357	0.6
301.00018	1.4
308.44510	0.6
345.09692	2.1
359.15002	3.3
360.12137	2.0
373.15012	23.5
374.15292	2.1
375.14465	10.5
376.14816	0.9
408.14108	1.4
423.11203	1.1
423.16574	18.2
424.16901	1.9
513.53418	0.7
521.20264	47.3
522.20654	6.3
554.19849	0.7
569.22540	6.6
570.22833	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	569.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46525	3.6
59.01260	4.7
66.21677	2.7
66.25619	2.5
66.75997	3.3
69.29726	20.7
69.30143	7.8
71.01268	3.2
72.55956	2.7
93.33602	2.9
96.95876	3.5
107.01226	4.5
121.02803	4.0
125.02341	10.2
139.00266	3.3
143.46094	3.1
149.02321	37.4
150.03090	13.8
164.04691	9.1
165.05524	18.1
166.06183	4.6
169.01370	14.5
169.45346	3.4
181.08536	8.1
182.97676	3.8
193.01308	5.6
195.06581	13.8
208.53050	3.6
217.01460	2.9
245.00790	5.0
300.99933	9.4
314.11609	20.0
329.13907	100.0
330.14203	12.9
369.95856	3.1
377.16025	57.3
378.16266	7.8
417.14130	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	569.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.3
59.11510	3.9
60.39013	3.5
60.72009	3.4
70.04549	13.0
71.01243	6.2
82.75464	3.3
95.01242	5.5
96.95900	3.8
107.01182	4.9
111.00804	5.6
121.02887	4.9
123.00750	10.7
124.36449	3.7
125.02300	18.0
132.83507	4.0
135.11226	3.7
139.00281	4.2
145.02956	4.1
149.02356	29.2
150.03082	8.7
164.04704	10.6
165.05487	10.5
169.01321	17.6
181.05203	3.4
181.08588	6.4
182.97469	9.6
195.06561	15.4
233.00671	3.3
238.76291	3.6
249.48865	3.3
301.00034	8.2
314.11627	15.6
329.13916	100.0
330.14270	12.2
369.97092	4.0
377.16043	49.8
378.16522	6.5
389.01208	4.4
399.33444	3.7
569.07837	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	569.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66117	0.8
55.01750	2.4
57.03302	1.4
58.00475	1.0
59.01250	15.2
69.70150	4.9
71.01250	16.9
72.99168	1.6
73.02818	6.9
79.61040	0.8
83.01240	4.5
85.02818	9.1
85.99957	1.3
87.00762	1.8
89.02323	3.9
93.03320	3.0
95.01239	2.7
99.00731	2.3
101.02317	13.8
108.02028	1.0
109.02749	0.9
111.00780	2.3
113.02311	5.6
116.92717	1.2
119.03396	1.4
121.02846	4.4
122.03619	10.8
123.00763	2.3
123.04424	1.2
125.02314	3.2
132.02104	1.2
133.02876	4.1
134.03601	3.8
135.36794	0.7
136.01540	1.7
137.02321	1.5
139.00247	1.4
145.02917	0.8
147.04413	2.0
149.02338	29.9
149.05974	2.8
150.03122	74.9
151.03600	3.2
159.02942	1.0
161.04466	1.5
161.05927	0.9
163.03900	1.5
164.04680	8.0
165.05476	72.8
166.05794	2.4
166.99780	1.2
169.01273	2.7
177.01797	0.9
177.05446	0.9
180.04198	6.2
181.04968	4.8
182.97476	1.9
193.08559	0.8
195.06543	37.9
196.07301	6.2
200.60429	0.8
211.09703	7.5
212.10124	0.8
300.99918	1.3
313.10501	0.9
344.12604	4.1
345.13443	1.0
358.13000	1.1
359.14963	13.6
360.15289	1.4
373.14975	27.7
374.15216	3.4
387.16385	1.2
463.08942	1.1
487.12976	1.0
521.20239	100.0
522.20563	14.9
569.22406	16.6
570.22455	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	569.0938
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
50.75332	0.3
58.94663	0.3
59.01251	2.4
61.98682	0.4
63.02274	0.6
65.00209	0.3
65.03800	0.3
71.01254	1.8
71.42847	0.7
72.90630	0.3
75.13416	0.2
81.03303	0.3
83.01264	0.8
85.02815	0.7
89.02299	0.5
90.93841	0.3
91.01773	0.3
93.03334	2.6
95.01270	0.7
97.02850	0.4
101.02338	0.7
107.01266	3.3
107.29300	0.2
109.02831	1.0
113.02328	0.9
113.65345	0.3
115.82450	0.3
117.03334	0.4
119.01276	0.4
119.15537	0.3
121.02808	0.3
123.00744	1.9
123.08049	0.7
124.01555	0.4
125.02334	4.1
126.02666	0.8
135.00751	1.6
139.00259	0.8
140.01022	0.3
141.07028	0.5
143.04951	1.3
145.02852	0.3
151.00291	2.2
153.01808	0.4
155.04938	0.3
156.05609	0.4
157.06467	1.0
159.04424	2.0
161.02362	0.4
161.04439	0.4
163.00273	2.4
165.01872	0.8
167.04930	0.7
167.10664	1.1
168.00523	0.7
168.05681	0.3
169.01363	5.3
169.06505	1.0
170.01668	1.0
171.01820	0.6
171.04413	1.1
173.02431	0.3
177.03853	0.3
183.04474	0.7
184.05125	0.4
185.06015	3.3
186.06487	0.3
187.03943	4.1
189.05486	1.2
195.04492	0.8
196.05124	0.3
197.06027	1.5
199.03865	1.0
201.05511	1.0
211.02306	0.4
211.03951	2.4
213.05479	2.3
214.02602	0.6
227.03426	3.8
228.03735	0.4
229.05026	14.9
230.05360	1.1
236.68092	0.3
239.03473	2.1
240.04243	0.6
241.04997	1.9
243.02802	0.5
253.58702	0.3
255.02940	1.6
256.03629	1.2
257.04523	7.1
258.04828	0.6
267.03000	1.2
283.04602	7.9
284.02985	0.8
285.04034	100.0
286.04373	7.4
301.00137	0.3
301.03467	1.2
329.16019	3.3
365.28143	0.3
509.23825	0.5
568.15857	0.4
568.24622	2.1
569.09363	1.2
569.25073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26458	0.6
59.01250	50.1
61.98691	2.3
67.92779	0.6
69.92600	1.3
69.92982	1.6
71.01258	3.0
84.42197	0.6
85.02837	1.1
87.95654	0.5
88.72237	0.6
89.02299	2.1
96.95885	2.7
98.19804	0.7
101.02319	2.9
107.01236	0.6
113.02314	3.2
119.03394	1.3
123.00816	1.1
125.02310	1.1
152.91685	1.0
161.04457	1.5
169.01305	1.6
178.39050	0.6
178.40608	0.6
300.99884	0.9
345.24319	100.0
346.24643	13.3
359.25983	2.0
387.25214	1.5
450.06000	0.7
507.29227	1.4
533.52893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
57.03309	1.8
59.01254	23.6
61.98699	6.0
62.67594	1.0
67.01739	1.4
67.48466	1.0
71.01253	13.5
71.56033	1.3
71.56412	1.2
72.99183	2.6
73.02805	3.5
75.00724	2.9
83.01244	1.6
85.02810	6.4
87.00740	2.8
88.98656	2.9
89.02309	6.1
95.01259	2.7
96.95877	3.6
99.00750	1.6
99.04433	1.0
101.02317	9.5
107.01265	2.2
109.02881	1.3
111.00755	3.3
113.02317	4.3
116.92766	1.9
123.00771	8.2
124.01531	1.5
125.02351	13.2
125.14033	0.9
126.02653	1.1
129.01845	1.1
136.01559	1.0
136.98695	1.5
139.00273	3.2
140.01031	3.4
141.01823	1.4
150.03143	1.9
151.00261	4.4
161.04399	2.2
165.05443	3.8
168.00583	4.8
169.01338	18.0
170.01768	1.1
177.01834	1.5
177.04016	1.1
193.04950	1.9
195.06656	1.8
203.03416	1.3
211.02390	2.4
243.17319	1.8
243.19626	23.6
244.20113	1.2
271.04572	2.3
300.99844	2.2
330.33676	1.0
354.90115	1.0
369.22617	1.9
387.23764	4.9
405.24918	100.0
406.25290	11.5
419.25916	1.1
519.20477	1.1
524.53790	1.1
531.28131	1.8
567.24408	47.1
568.24780	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.3
59.01251	39.5
61.98697	20.2
69.52972	12.1
69.53397	9.5
71.01245	31.6
71.66641	2.4
73.02815	8.3
75.00204	2.7
76.93290	2.2
79.95550	2.6
81.26429	2.5
83.01250	6.9
85.02818	14.1
89.02310	8.3
95.01257	4.4
96.95898	2.8
97.02839	3.3
99.00764	7.8
101.02314	28.4
107.01303	2.8
111.00742	7.3
113.02313	10.7
122.92882	2.4
125.02337	15.1
127.00101	2.8
130.66277	2.5
131.03430	3.6
139.00233	2.9
151.00237	16.2
155.10715	8.7
160.10356	2.2
161.04472	7.5
168.00511	3.9
169.01340	19.9
174.35413	2.4
310.56216	2.6
350.71692	2.5
403.45950	2.5
435.29620	31.6
436.30167	3.8
507.29108	5.1
507.35614	3.9
531.31921	15.8
533.87012	3.0
567.28577	100.0
568.21387	2.9
568.29095	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34675	1.4
55.42575	1.6
58.00460	2.0
59.01250	78.3
69.23160	8.4
69.23587	7.6
71.01253	62.4
71.97416	1.6
72.99168	7.4
79.95615	2.1
80.42632	1.7
83.01264	3.0
85.02827	9.3
87.00751	3.7
89.02316	100.0
95.01275	6.1
96.95902	2.1
101.02326	29.5
107.01273	6.1
111.00703	1.9
113.02323	25.5
119.03388	37.0
123.00751	3.8
125.02351	8.8
131.03380	4.1
135.04410	1.5
143.03407	6.3
145.02870	2.9
149.04459	3.5
161.04436	9.0
163.00334	2.0
166.99786	3.3
169.01343	15.7
173.02252	1.7
179.05545	24.8
181.01483	1.6
201.01999	1.7
214.99998	2.6
229.01494	1.7
255.10249	5.3
266.05737	2.0
270.12704	1.8
273.00623	2.1
283.09732	25.2
284.10080	2.9
285.04099	1.9
294.08801	2.3
295.09732	3.3
296.10547	2.2
297.07819	1.6
298.12195	3.3
300.99844	8.3
302.00031	2.2
310.12177	2.2
311.09219	60.0
311.12799	3.1
312.09601	5.3
325.10703	7.5
326.11578	49.9
327.12030	3.3
341.09756	3.4
341.13913	69.8
342.14252	7.2
357.09598	2.4
567.23920	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	567.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.5
61.98710	7.1
71.01263	5.0
72.99183	1.0
74.98958	6.4
79.95618	1.4
80.96389	100.0
85.02827	1.4
89.02336	3.1
91.17650	0.9
94.51005	0.7
95.01281	0.9
96.95885	6.3
101.02328	3.3
104.84743	0.9
113.02315	2.8
113.04149	5.4
119.03384	2.2
119.04906	1.1
121.06479	1.0
125.02322	3.6
140.02939	2.2
151.71829	0.8
155.39005	0.9
163.03896	1.1
165.12753	3.7
169.01344	3.7
191.14381	4.3
245.19118	1.9
271.16965	1.5
275.15979	0.8
289.18082	9.3
290.18518	1.1
291.19788	2.3
316.86688	1.0
323.16840	50.4
324.17215	5.5
344.23489	0.9
365.17935	2.3
405.13962	2.4
485.22159	31.8
486.22531	4.6
507.28522	0.9
533.00018	0.9
559.53912	0.9
560.22192	1.0
567.18781	13.1
567.26105	2.0
568.19360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
57.31147	0.4
59.01255	4.6
59.70968	0.3
61.98698	1.7
69.34087	0.6
69.34494	3.0
71.01254	2.5
72.99162	0.3
73.01060	0.9
73.97605	0.3
74.98972	6.2
79.05383	0.6
79.95638	0.6
80.96391	100.0
83.04869	0.4
85.02824	0.5
89.02320	2.3
95.01260	0.6
96.95864	0.4
100.20416	0.3
101.02296	2.3
110.98973	0.4
111.02646	0.4
111.08057	1.0
113.02332	1.8
113.04192	4.2
119.03393	1.0
120.11511	0.4
121.06481	0.7
123.99782	0.4
125.00544	0.5
125.02325	0.8
139.02126	0.5
140.02910	0.9
153.92609	0.4
161.04495	0.4
163.11201	1.2
165.12729	3.0
165.77724	0.3
169.01343	0.7
183.13882	0.4
191.14326	3.5
195.03258	0.6
211.13339	0.5
215.11011	0.5
217.16022	0.4
221.11710	0.5
225.15022	0.6
245.19092	3.0
249.12393	0.4
271.17105	0.7
289.18066	10.6
289.21024	0.7
290.18369	0.7
291.19562	2.0
300.99738	0.7
305.15817	1.4
307.19046	0.6
321.15219	1.0
323.16849	46.1
324.17191	3.7
331.19012	0.6
365.17841	2.6
405.14041	1.4
485.22159	32.3
486.22418	4.5
567.19373	14.9
568.19666	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	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26702	0.5
57.89583	0.6
59.01246	10.7
67.01755	1.0
68.99670	0.9
69.03326	1.2
69.21912	0.6
71.01249	4.0
72.17824	0.6
73.02809	0.9
75.00727	0.9
79.01774	0.7
81.03329	1.0
83.01250	0.7
85.02832	2.9
85.71278	0.6
87.00731	0.9
89.02299	1.6
93.93749	0.6
95.01269	2.1
96.95902	1.6
97.02825	2.1
98.19823	1.3
99.71488	0.6
100.41334	0.6
101.02309	2.9
101.05961	3.2
107.01258	10.1
109.02800	0.7
111.00760	2.1
113.02326	3.0
121.06491	1.1
123.00773	8.9
123.04394	4.1
125.02335	69.5
126.02679	2.3
132.96968	0.6
135.04424	4.3
137.02321	0.8
137.06018	0.9
139.00269	2.7
140.01035	1.7
140.55164	0.6
141.01869	0.7
145.02829	0.9
149.02318	0.9
151.00307	4.3
161.02341	0.8
163.03879	0.8
165.05495	6.4
166.99773	1.7
167.03461	0.8
168.00546	7.0
169.01335	100.0
170.01662	3.2
175.03972	0.7
179.03413	1.5
179.10658	2.0
181.01404	0.8
183.02875	1.2
191.03384	1.4
193.01347	2.0
196.88786	0.8
205.01350	0.9
207.02922	1.5
211.02409	14.9
221.04541	1.5
223.02400	0.8
235.02428	2.1
241.03566	2.8
271.04578	8.7
273.00415	0.9
273.18973	0.6
277.03699	0.7
295.04547	5.0
300.99924	2.5
313.05692	14.5
314.06146	0.7
329.15909	0.6
341.16104	0.7
345.17184	1.4
355.10388	2.8
397.11362	7.3
415.12445	5.9
447.05814	1.2
465.06720	11.0
466.07040	1.3
549.13062	0.7
567.13611	52.6
567.24347	13.9
568.13812	6.5
568.24036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04651	0.3
55.01767	0.5
56.82989	0.4
59.01257	3.1
65.00186	0.6
67.01759	1.1
69.03321	2.5
69.43718	1.7
69.44144	1.8
71.01247	5.0
72.99179	0.7
73.02811	0.6
75.00750	0.5
79.01761	0.7
79.95600	1.1
80.96383	0.7
81.03320	0.9
83.01260	1.3
85.02827	1.5
87.00739	0.6
89.02336	1.3
95.01265	2.1
96.95905	2.0
97.02830	2.7
99.00765	0.5
101.02336	1.1
101.05962	10.8
107.01272	9.8
108.84218	0.4
109.99953	0.4
111.00749	1.2
113.02322	1.9
115.07525	1.8
116.92744	4.5
117.92742	2.3
118.92523	2.6
118.93294	0.5
118.99786	0.5
123.00757	9.0
124.01579	1.2
125.02336	76.2
126.02686	2.0
127.00268	0.6
129.01804	0.4
135.04427	1.5
136.98689	0.7
139.00275	3.8
140.01099	1.9
141.01834	1.5
151.00296	5.6
152.00917	0.4
155.12050	0.4
157.03262	0.3
163.03873	0.5
166.99803	0.9
167.03427	0.9
168.00575	5.0
168.35692	0.4
169.01343	100.0
170.01678	3.4
177.01723	0.6
177.03958	2.3
178.12605	0.4
179.03418	0.7
181.01367	0.5
183.02898	0.5
193.01332	1.6
195.06599	0.4
197.08067	1.1
205.05217	0.4
211.02426	6.9
243.02898	0.6
255.03053	1.2
271.02313	1.1
271.04709	1.3
295.04572	0.7
300.02762	6.4
301.00076	0.4
313.05539	0.9
315.05057	4.7
355.10370	0.5
397.11340	8.5
398.11639	0.8
405.15723	0.7
415.12454	14.3
416.12811	1.4
447.09293	3.1
448.09564	0.7
465.52347	0.5
521.33130	1.7
567.13550	53.1
567.24200	14.3
568.13904	6.5
568.23230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92920	0.5
54.36115	0.5
57.28567	0.5
59.01252	6.2
60.04427	0.5
60.99178	15.5
61.98692	0.9
65.00170	0.6
67.01752	0.8
68.99703	0.7
69.03309	1.2
71.01250	6.4
71.55977	0.9
71.56343	0.7
72.99159	1.3
73.02810	0.8
80.96397	0.7
81.03352	0.6
83.01260	2.0
85.02818	1.8
87.00778	0.8
88.98678	100.0
89.02308	1.8
89.99006	1.2
95.01252	1.3
96.95889	1.9
97.02845	3.0
99.00715	0.7
100.23184	0.6
101.02319	2.9
101.05958	3.9
107.01273	9.5
111.00754	2.1
112.54103	0.6
113.02314	2.0
115.07529	0.7
123.00773	9.6
124.01572	1.0
125.02338	46.7
126.02670	1.5
127.00265	1.1
134.03615	1.2
135.04416	47.1
136.04747	1.7
136.98695	0.7
137.02327	0.7
139.00288	3.3
139.11192	1.4
140.01051	2.6
141.01854	1.1
149.06033	0.6
151.00258	5.8
151.03926	1.0
153.01785	1.0
153.05504	0.7
161.02301	0.8
163.03889	0.6
164.01134	0.6
165.01865	0.8
165.05443	0.5
166.99812	0.9
167.03371	0.9
168.00565	4.6
169.01338	60.5
170.01671	2.3
177.03946	1.3
179.03413	44.7
180.03734	1.6
181.04982	23.7
181.12282	1.0
182.05396	0.8
183.10207	1.5
188.03775	0.5
196.07335	21.7
197.07863	0.6
211.02434	6.4
211.09703	41.4
212.10086	1.4
225.11244	2.7
227.03639	0.9
243.02933	1.7
243.12386	2.7
255.02937	5.4
256.03101	0.6
271.02234	10.3
271.05157	4.1
272.02798	1.4
291.12347	0.9
297.06067	0.9
299.01996	3.6
300.02728	40.4
300.99832	1.4
301.03171	3.8
313.05820	1.7
315.05093	34.5
316.05527	2.9
327.14523	1.2
345.16757	1.1
357.15567	2.1
369.22363	0.9
387.16498	3.4
397.11572	3.2
415.12335	6.4
415.16647	0.6
421.18695	2.6
465.06836	3.5
477.10370	44.8
478.10696	5.5
520.13599	0.7
523.21844	2.1
567.13641	22.8
567.24420	41.2
568.14368	3.6
568.24286	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	566.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.7
61.98701	100.0
62.79869	0.2
70.63681	0.1
70.80748	0.4
71.01257	1.8
73.02840	0.4
79.95633	0.2
83.01264	0.2
85.02842	0.7
87.00780	0.3
89.02292	0.8
95.01279	0.2
96.95882	0.3
99.00779	0.2
101.02306	1.3
107.01319	0.2
108.14514	0.2
113.02323	0.6
119.03435	0.3
123.00771	0.3
125.02378	0.4
142.63492	0.2
151.05562	0.2
159.03046	0.2
161.04480	0.6
166.99698	0.2
169.01357	0.8
185.17049	0.1
251.09007	0.2
299.00867	0.4
301.00089	0.3
312.01526	0.8
313.05524	0.3
343.28351	0.2
344.28949	0.3
404.07803	0.9
442.19525	0.2
505.33762	0.4
506.34048	1.8
507.35519	0.3
531.31897	0.5
548.23358	0.2
566.13300	0.6
566.21692	0.2
567.30597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95399	0.2
57.63216	0.1
59.01250	3.4
61.98701	100.0
62.38081	0.2
64.79654	0.2
65.00190	0.3
69.03313	0.2
69.41644	0.2
69.41963	1.6
70.77959	0.2
71.01263	1.8
72.99225	0.3
73.02831	0.8
74.02371	0.3
75.20522	0.2
78.95778	0.2
83.01266	0.5
85.02814	1.0
88.14227	0.2
89.02329	0.8
95.01282	0.2
96.95881	0.4
97.02794	0.2
99.00761	0.2
101.02322	1.2
101.62132	0.2
107.01286	0.4
111.00790	0.3
113.02357	0.8
121.02872	0.2
123.00777	0.7
124.01540	0.2
124.26321	0.2
125.02350	1.8
138.89769	0.2
139.00298	0.2
151.00269	1.5
161.04526	0.3
169.01346	1.9
238.49213	0.2
301.00037	0.5
335.22263	0.2
434.28232	0.3
435.29709	0.3
506.34290	0.3
507.35489	1.5
531.31952	0.4
566.22906	0.4
566.31580	0.6
567.22070	1.1
567.29919	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	565.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.8
59.78009	0.3
61.98698	0.7
69.03310	0.4
71.01247	1.9
71.27663	0.5
71.27999	0.5
72.99209	0.3
73.02817	0.4
74.02318	0.5
79.95599	0.4
83.01233	0.4
83.66801	0.3
85.02827	0.9
88.03909	1.0
89.02313	1.1
92.18975	0.3
92.41955	0.3
95.01270	0.5
96.95884	1.0
99.91785	0.4
99.92458	8.3
101.02334	0.7
111.80447	0.3
113.02320	0.5
116.42365	0.3
116.92741	100.0
117.92748	5.1
119.03365	0.3
123.00772	1.2
125.02309	1.4
137.02306	0.4
139.03995	0.3
166.99750	1.1
168.00476	0.5
169.01343	1.8
201.11232	0.4
271.02240	0.3
300.02719	0.9
300.99924	0.7
314.73505	0.3
315.05182	1.1
328.22214	0.4
447.09372	0.3
449.27228	0.4
519.31757	1.3
520.30292	0.4
522.43469	0.4
564.30084	2.1
565.22382	1.8
565.31073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66739	6.6
59.01246	93.0
59.38827	7.0
61.98694	36.7
63.46116	6.3
63.96104	34.0
64.65216	7.2
71.01250	30.6
75.55790	7.1
78.95800	7.8
79.95600	100.0
85.02827	14.6
89.02313	21.2
96.95897	27.9
101.02316	19.6
119.03434	8.6
123.00771	7.5
125.02357	17.2
269.70557	8.4
291.19687	17.6
321.14600	16.3
329.06482	10.8
341.27078	11.8
408.83386	8.1
427.68546	7.3
459.39078	7.4
503.32068	10.6
517.34082	16.1
563.24133	24.5
591.84100	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	563.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	12.9
59.35481	1.6
60.99178	13.6
71.01239	2.8
71.55689	3.0
72.99180	74.1
75.00742	8.8
80.05614	1.8
81.35915	1.8
89.02313	19.2
99.00722	2.4
103.14577	1.5
105.01815	4.9
115.00237	11.4
117.01814	9.4
121.61317	1.6
132.77959	1.6
133.01317	100.0
134.01666	3.1
135.02873	4.3
145.01314	28.0
145.33954	1.5
160.92157	1.6
161.00768	4.4
221.02995	27.2
261.61172	1.8
282.88989	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92563	1.1
56.26230	1.4
59.01238	1.6
61.42699	1.3
62.96269	1.5
71.13587	2.6
71.13917	1.6
72.77623	1.4
78.95772	54.5
87.70429	1.1
93.59816	1.4
96.96819	3.6
120.95328	2.5
136.94830	3.5
152.99483	71.5
153.99879	2.2
156.66994	1.5
171.00533	20.9
178.95869	1.2
192.97523	2.9
227.03241	4.0
245.04274	91.6
246.04565	3.5
253.21716	54.7
254.22017	4.4
267.01129	12.6
268.01550	1.9
327.03165	2.7
349.22672	1.5
481.25705	100.0
482.25980	10.3
519.41608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15707	0.4
52.60222	0.5
54.91033	0.4
58.00454	1.8
59.01250	28.7
64.62077	0.4
71.01251	20.6
71.11773	1.1
72.99183	2.6
82.36268	0.4
85.02821	2.2
87.00739	0.7
89.02311	20.7
95.01263	1.0
96.95883	2.2
101.02309	1.6
107.01252	1.9
111.00764	0.8
113.02306	1.5
115.00237	0.4
115.17163	0.5
117.03348	5.8
118.69248	0.4
119.03347	0.5
121.67956	0.4
123.00743	2.8
125.02315	3.3
131.01259	3.0
131.03413	1.1
139.00243	0.7
141.09181	0.5
145.02905	0.7
149.04497	1.2
153.01794	0.9
155.32445	0.5
161.02301	0.8
163.00266	0.6
163.03909	0.7
165.01724	0.7
166.99739	2.5
169.01317	6.8
173.02357	3.1
175.00290	10.1
177.01811	0.6
194.74275	0.5
214.99806	0.7
237.05721	0.7
242.99353	0.5
246.01636	0.5
247.02510	0.7
253.05151	0.5
265.05130	0.8
269.04510	5.6
270.04745	0.6
270.98740	0.6
271.06198	0.6
273.00549	0.8
275.01917	0.5
279.06750	0.8
281.04492	4.4
282.05115	2.3
283.06079	5.3
293.04529	100.0
294.04886	7.6
295.06052	2.8
298.98322	0.9
299.99072	1.1
300.99850	3.2
307.05914	0.8
309.03839	1.1
311.05551	8.1
312.05936	0.7
314.04285	1.5
323.05576	6.7
324.05933	0.6
325.06854	0.7
335.05646	2.4
341.06693	5.7
353.06671	2.2
355.40482	0.6
413.08737	49.8
414.09048	5.9
431.09991	0.7
433.53629	0.6
443.09744	3.9
453.01059	0.6
492.69901	0.6
563.14020	67.3
564.14398	9.5
569.33594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79027	0.4
59.01269	1.7
70.18092	1.5
70.18493	0.8
70.42347	0.5
78.95776	9.1
85.06450	3.0
88.71496	0.5
94.70016	0.5
96.95934	0.9
96.96822	0.6
98.20401	0.5
140.01109	2.9
150.83611	0.5
152.99489	1.3
196.03758	1.9
199.13341	1.7
214.04752	4.0
261.18655	1.1
279.19644	17.6
280.20065	1.5
300.99698	0.5
347.25864	7.1
348.26288	0.8
363.25339	0.8
365.26941	100.0
366.23135	0.4
366.27286	10.2
378.86115	0.5
431.54483	0.5
487.54892	0.5
562.31421	18.3
563.31757	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	561.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.8
55.76239	2.2
57.03323	2.9
58.00453	2.3
59.01250	100.0
61.98697	7.1
69.77773	2.0
69.86918	12.7
71.01250	50.6
72.99176	4.3
73.02825	6.7
75.00738	4.1
76.21987	2.2
79.95600	3.1
83.01266	5.5
85.02816	20.8
87.00755	3.2
89.02319	44.5
95.01245	4.5
96.95901	6.1
97.39660	2.6
99.00759	5.6
101.02322	45.8
113.02335	23.1
119.03381	17.2
123.00826	2.6
125.02317	6.0
128.74588	2.7
131.03409	2.7
139.42923	2.4
139.77370	2.2
143.03419	6.1
158.87892	2.0
159.02902	4.9
161.02333	3.3
161.04449	19.6
165.32080	2.5
169.01286	4.4
171.10170	10.4
179.05562	6.1
185.11819	2.2
300.99728	2.6
303.85236	2.3
316.02139	3.4
339.25360	11.5
431.29041	2.3
501.30804	35.1
502.31012	9.6
527.40912	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	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50211	1.0
55.01751	2.8
57.03306	3.8
58.00450	2.5
59.01249	100.0
61.98694	3.6
71.01252	49.5
71.04893	1.9
72.99165	1.8
73.02811	12.9
73.31865	1.0
75.00735	1.9
76.41582	0.9
83.01270	6.5
83.01692	1.4
85.02821	19.6
85.06448	3.3
86.36453	1.0
87.00723	1.7
87.04385	1.4
89.02312	24.5
95.01279	3.2
96.95867	4.9
97.02810	1.3
97.06454	2.0
98.19786	1.5
99.00738	6.4
101.02322	33.7
101.02992	1.7
113.02325	22.7
119.03381	9.0
123.00788	1.8
125.02322	4.0
125.09594	1.7
131.03362	1.7
143.03386	3.0
149.04379	1.4
152.91615	1.4
155.10680	1.1
159.02887	6.2
161.02382	1.2
161.04469	29.1
166.99797	1.2
169.01331	4.2
171.10149	3.8
179.05540	5.6
205.03413	1.7
211.16975	2.5
250.88306	1.4
275.01779	1.2
291.23294	1.1
300.99838	2.0
303.23401	1.4
309.24432	2.4
321.24304	5.4
339.25369	29.6
340.25598	2.3
357.05286	0.9
473.05026	1.1
501.30658	18.5
502.30759	3.0
561.30194	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	561.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56424	0.1
59.01252	0.2
69.41851	1.0
71.01244	0.2
79.95605	2.6
83.82732	0.1
96.95887	100.0
97.95825	0.4
98.95479	0.2
112.93578	0.2
113.31731	0.1
125.02316	0.4
143.04549	0.2
169.01379	0.3
211.25122	0.1
255.06943	0.6
256.07382	0.2
272.08878	0.3
287.01987	0.2
301.00037	0.1
315.01636	0.2
316.02188	0.5
331.04700	0.3
429.01324	0.3
463.08868	0.6
561.05469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36677	0.1
57.03312	0.1
59.01251	0.1
60.08470	0.1
69.39619	0.3
69.40047	0.4
79.95611	2.3
83.01236	0.1
85.02824	0.8
93.69041	0.1
96.95889	100.0
97.95831	0.4
98.98975	0.1
111.00787	0.1
120.56753	0.1
123.00758	0.1
125.02323	0.3
129.01826	0.3
145.02817	0.1
147.02879	0.1
149.02350	0.2
151.00282	0.1
154.85460	0.1
164.04626	0.1
166.99756	0.2
169.01309	0.2
173.00713	0.1
178.99797	0.1
179.18391	0.1
217.01530	0.1
223.06070	0.1
271.02380	0.5
287.01825	0.2
316.02206	1.3
317.02890	0.4
369.62228	0.1
397.07440	0.1
398.71533	0.1
463.08945	1.4
464.09290	0.2
560.21436	0.2
561.20288	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	559.3253
Annotation	Montanin
Peak:m/z	Relative Intensity
59.01252	14.0
61.98690	7.2
62.18669	1.8
70.02774	1.7
71.01251	7.3
73.02818	2.2
83.01266	2.1
85.02817	3.9
87.00741	3.0
89.02325	6.0
95.01305	2.5
96.95880	4.5
101.02346	6.0
111.00828	1.6
113.02326	5.0
119.03421	2.5
123.00787	6.5
125.02348	8.6
131.07066	2.1
149.02440	2.5
161.04507	2.8
168.00587	2.6
169.01328	9.3
173.04486	2.1
188.45409	1.6
271.02576	1.9
298.98425	2.0
299.99374	1.7
300.02725	4.3
300.99884	3.8
301.03204	1.8
315.05127	6.0
332.09003	5.4
361.29468	2.0
447.09628	4.4
521.33441	3.0
523.34802	37.5
524.35223	3.8
559.18616	2.8
559.32532	100.0
560.33032	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	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	19.5
61.97036	1.0
61.98706	5.6
70.01891	4.0
71.01249	3.4
73.02797	1.6
78.95764	1.6
89.02303	2.1
89.16010	1.0
96.95885	1.8
98.20493	1.3
101.02328	3.7
101.19907	1.1
113.02338	3.2
125.09499	1.3
219.81993	1.1
235.08305	1.8
253.09248	16.3
263.20148	100.0
264.20425	8.1
277.21674	5.7
278.21979	1.3
474.26187	3.5
559.30835	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	559.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.4
59.01251	79.5
61.98708	14.5
69.45219	3.3
71.01253	38.7
71.20507	6.7
73.02816	13.4
79.95602	4.9
80.91556	4.7
83.01258	4.8
85.02840	8.6
87.00749	6.1
89.02306	20.9
89.42662	3.1
95.01282	3.9
96.95882	15.2
101.02316	26.3
106.82354	3.1
107.01280	4.9
112.93622	3.7
113.02348	18.9
119.00066	3.1
119.03417	10.4
123.00775	6.3
125.02312	13.9
135.04430	5.0
137.05975	3.4
139.11183	10.8
143.03442	5.7
151.00262	3.8
153.05452	3.6
161.04460	10.1
167.48196	3.0
169.01331	16.6
179.05441	7.3
181.12230	6.9
183.10191	15.4
223.59158	3.3
225.11328	11.0
243.12347	26.9
245.01004	3.5
270.06470	3.3
285.13397	5.3
300.99850	5.9
315.01685	3.4
325.13324	4.0
333.11902	7.3
336.22702	4.6
337.23279	4.5
499.28992	26.1
500.29205	3.0
521.33282	25.9
522.33887	7.6
523.34229	8.7
559.14081	6.6
559.22241	25.7
559.31299	100.0
560.31049	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	559.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01966	8.9
65.00172	9.8
69.29353	79.6
70.89097	7.4
74.82081	7.1
80.96391	10.7
83.01284	7.8
85.48561	7.7
95.01268	12.3
96.95850	19.1
107.01271	29.1
111.00789	16.2
123.00754	39.2
125.02336	75.7
130.56490	7.7
139.00214	9.7
150.03094	8.0
151.00291	26.1
153.01900	9.6
161.02264	11.8
165.05527	12.3
166.99706	25.3
168.00490	10.6
169.01341	93.2
170.01665	11.9
173.02271	9.0
177.01857	11.2
178.99770	9.6
187.00212	13.2
214.99770	9.7
245.00909	14.2
245.85579	9.1
270.98959	15.2
271.02338	8.2
275.01941	14.5
286.98032	9.8
298.98535	10.1
299.99100	13.0
300.99881	58.6
302.00327	11.1
314.99744	72.7
316.02631	9.4
317.03024	8.1
329.13834	10.7
336.95462	9.2
452.53317	14.5
479.06567	100.0
480.06607	10.5
535.95404	7.9
559.18097	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	559.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	2.2
69.03344	0.8
81.03330	0.9
83.01254	1.2
93.03368	0.8
95.01257	1.3
96.99699	0.6
97.02827	2.4
98.20551	2.0
99.57854	0.6
105.03368	0.8
105.95992	0.6
107.01256	1.8
109.02834	0.7
112.93594	0.8
121.02839	1.9
123.00787	1.8
125.02332	4.3
137.00571	1.1
137.02322	1.9
149.02327	1.6
151.00264	9.3
155.03375	1.6
161.02357	0.8
163.00266	5.3
165.00061	24.4
165.01796	4.4
166.00381	1.2
166.99754	0.7
169.01329	2.2
177.01860	1.2
189.00064	0.9
189.98903	0.7
190.99747	0.9
193.01376	5.0
205.01395	1.5
209.96097	0.7
223.02415	5.7
232.99080	1.9
255.02953	0.8
269.04474	1.0
297.04095	1.6
298.04779	2.0
300.99814	1.0
311.05298	0.8
317.01184	7.3
318.01208	0.9
325.03220	0.8
327.05157	1.1
329.01312	3.5
330.02042	2.8
355.04739	0.8
356.05130	0.8
359.02277	35.9
360.02628	2.5
371.02310	2.1
389.03357	43.1
390.03635	5.5
401.03333	2.9
431.04385	1.7
461.05710	3.5
461.11264	0.7
479.06516	100.0
480.06879	16.2
559.02075	4.7
560.02679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.3
63.02273	0.6
65.00194	1.9
71.01236	1.6
71.29433	0.7
72.99187	0.5
73.02814	0.5
83.01246	0.8
85.02821	1.2
89.02342	0.9
95.01244	1.0
96.05731	0.4
96.95882	0.5
101.02315	0.8
103.03928	0.6
107.01264	4.2
123.00773	1.4
125.02340	5.1
125.88840	0.4
127.77333	0.4
139.00285	0.5
150.98433	0.5
151.00276	12.0
152.00746	0.4
153.00064	1.4
161.02335	0.5
163.00215	0.5
163.03889	0.5
165.00073	0.9
166.99776	1.7
168.00526	0.5
169.01337	5.2
170.01669	0.6
177.01744	0.4
178.97981	2.4
178.99712	1.4
179.98787	5.7
180.99559	5.7
181.99988	0.4
193.01294	0.6
195.96533	0.4
203.03432	0.4
204.99603	0.9
206.97485	1.8
215.01634	0.7
225.00658	1.0
243.01189	1.3
247.00597	1.2
255.03000	0.8
259.00598	1.2
269.99835	0.9
271.00424	1.9
285.99216	0.4
287.00125	2.9
296.98553	0.4
297.99405	0.7
298.98633	0.5
299.01956	1.5
299.99277	0.7
300.02682	3.7
300.99893	2.3
301.02899	0.5
313.98901	10.0
314.99670	93.7
316.00015	9.0
331.99832	0.7
333.00760	7.2
452.53946	0.4
479.06506	100.0
480.06827	13.1
559.02277	9.8
560.02179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21601	0.3
52.99184	0.4
59.01236	0.7
69.20869	0.4
71.56578	0.6
78.95780	9.8
80.04391	0.4
85.75062	0.3
119.98313	0.3
122.00070	0.5
140.01056	3.0
142.96434	0.4
152.99438	1.2
159.53470	0.4
178.42891	0.4
196.03741	3.4
214.04817	2.9
273.00574	0.4
279.23288	100.0
280.20789	0.3
280.23611	9.0
476.27814	26.7
477.28351	2.8
558.26862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57295	1.7
50.65754	1.5
59.01250	30.7
61.98699	4.8
63.26081	1.6
65.00185	3.9
71.01273	13.6
72.99169	3.1
73.02835	2.9
75.00724	3.1
79.01776	2.2
79.95638	1.8
80.96387	3.0
83.01254	2.9
85.02837	4.9
87.00766	2.7
89.02316	12.8
93.03348	2.0
95.01265	7.4
96.95893	6.4
97.02811	2.4
98.20557	3.5
100.63195	1.9
101.02298	9.3
107.01291	7.0
109.02854	1.9
111.00785	2.9
112.84744	1.7
112.93595	2.2
113.02332	7.2
119.03377	3.9
121.02844	5.4
123.00780	14.4
123.04449	1.9
125.02338	27.0
135.04468	1.9
139.00261	3.8
141.01701	1.8
145.02849	4.0
149.02351	22.8
150.03163	14.1
151.00259	13.0
161.02316	4.3
161.04449	3.7
161.66518	1.5
163.00270	2.8
164.04712	6.4
165.05510	9.0
166.06273	12.6
166.99762	11.1
167.06953	1.7
168.00565	4.2
169.01340	29.2
170.01561	1.8
173.02345	3.0
174.03036	3.3
175.04010	3.8
176.00920	2.1
177.02054	1.8
178.99805	10.1
179.05542	4.4
181.08598	11.3
183.10194	1.7
187.00331	2.7
189.01808	3.0
190.02574	4.2
192.00587	1.9
193.01465	4.2
195.06573	6.4
201.01949	4.3
202.02623	2.3
203.03416	7.2
205.01331	3.4
211.04182	2.0
213.01764	1.9
214.99800	2.3
216.00542	3.2
217.01393	4.5
229.01407	5.0
230.02142	7.5
231.02925	7.0
233.00771	2.2
242.99272	2.7
244.00175	2.8
245.00862	3.8
247.02550	3.5
257.01013	2.7
258.01743	2.7
259.02481	3.1
270.98914	4.8
273.00418	4.8
275.01981	3.3
281.04535	2.9
283.02542	1.8
288.99881	11.4
290.00308	2.3
298.98355	4.7
299.99173	3.7
300.99942	13.1
307.84625	1.7
325.03592	3.1
327.12329	3.6
337.03494	5.0
338.04431	2.1
339.01315	1.9
339.05652	1.6
347.00690	1.9
353.03070	3.4
354.03308	2.0
364.02417	3.0
365.03061	5.0
379.01016	1.8
381.02588	3.3
382.03140	19.4
383.03961	5.3
392.01825	5.3
393.02512	7.9
395.24399	1.9
409.01816	2.8
410.02707	20.0
411.03564	38.7
412.03888	4.9
475.20007	2.2
497.27866	2.6
509.21829	21.8
510.22034	2.5
521.33282	45.6
522.33710	8.3
527.02808	6.5
527.52808	2.4
541.02991	2.3
557.09436	68.9
557.31018	100.0
558.09821	13.4
558.31281	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	557.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57295	1.7
50.65754	1.5
59.01250	30.7
61.98699	4.8
63.26081	1.6
65.00185	3.9
71.01273	13.6
72.99169	3.1
73.02835	2.9
75.00724	3.1
79.01776	2.2
79.95638	1.8
80.96387	3.0
83.01254	2.9
85.02837	4.9
87.00766	2.7
89.02316	12.8
93.03348	2.0
95.01265	7.4
96.95893	6.4
97.02811	2.4
98.20557	3.5
100.63195	1.9
101.02298	9.3
107.01291	7.0
109.02854	1.9
111.00785	2.9
112.84744	1.7
112.93595	2.2
113.02332	7.2
119.03377	3.9
121.02844	5.4
123.00780	14.4
123.04449	1.9
125.02338	27.0
135.04468	1.9
139.00261	3.8
141.01701	1.8
145.02849	4.0
149.02351	22.8
150.03163	14.1
151.00259	13.0
161.02316	4.3
161.04449	3.7
161.66518	1.5
163.00270	2.8
164.04712	6.4
165.05510	9.0
166.06273	12.6
166.99762	11.1
167.06953	1.7
168.00565	4.2
169.01340	29.2
170.01561	1.8
173.02345	3.0
174.03036	3.3
175.04010	3.8
176.00920	2.1
177.02054	1.8
178.99805	10.1
179.05542	4.4
181.08598	11.3
183.10194	1.7
187.00331	2.7
189.01808	3.0
190.02574	4.2
192.00587	1.9
193.01465	4.2
195.06573	6.4
201.01949	4.3
202.02623	2.3
203.03416	7.2
205.01331	3.4
211.04182	2.0
213.01764	1.9
214.99800	2.3
216.00542	3.2
217.01393	4.5
229.01407	5.0
230.02142	7.5
231.02925	7.0
233.00771	2.2
242.99272	2.7
244.00175	2.8
245.00862	3.8
247.02550	3.5
257.01013	2.7
258.01743	2.7
259.02481	3.1
270.98914	4.8
273.00418	4.8
275.01981	3.3
281.04535	2.9
283.02542	1.8
288.99881	11.4
290.00308	2.3
298.98355	4.7
299.99173	3.7
300.99942	13.1
307.84625	1.7
325.03592	3.1
327.12329	3.6
337.03494	5.0
338.04431	2.1
339.01315	1.9
339.05652	1.6
347.00690	1.9
353.03070	3.4
354.03308	2.0
364.02417	3.0
365.03061	5.0
379.01016	1.8
381.02588	3.3
382.03140	19.4
383.03961	5.3
392.01825	5.3
393.02512	7.9
395.24399	1.9
409.01816	2.8
410.02707	20.0
411.03564	38.7
412.03888	4.9
475.20007	2.2
497.27866	2.6
509.21829	21.8
510.22034	2.5
521.33282	45.6
522.33710	8.3
527.02808	6.5
527.52808	2.4
541.02991	2.3
557.09436	68.9
557.31018	100.0
558.09821	13.4
558.31281	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	557.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69325	0.8
52.37875	0.7
55.01753	1.1
58.00463	1.4
59.01250	100.0
70.45853	2.6
71.01253	20.0
72.99163	1.7
73.02814	2.9
75.00762	1.1
78.91218	0.7
83.01247	1.9
83.04896	5.2
85.02831	6.5
87.00762	1.4
89.02315	22.5
89.05324	0.7
89.91953	0.8
95.01246	2.3
96.95872	3.3
99.00760	1.4
99.04395	0.8
101.02322	15.1
107.01279	1.2
113.02336	9.8
114.01884	0.9
114.15599	0.9
119.03384	12.3
123.00763	2.3
125.02342	3.7
131.03419	0.8
135.04391	1.1
137.09572	1.9
143.03387	1.2
149.09633	0.9
151.07503	1.4
151.11116	1.8
153.09128	5.1
161.04445	3.9
165.09140	4.8
165.10258	0.8
167.10686	6.7
167.65942	0.8
169.01347	3.9
179.05553	2.8
182.17274	0.8
214.99872	1.1
300.99994	1.4
317.21140	13.1
318.21515	1.4
330.35822	0.8
335.22302	16.5
336.22626	1.9
359.28098	1.3
470.22949	0.8
497.27545	47.5
498.27969	5.0
519.31671	4.9
520.32019	1.1
521.33289	8.3
522.33759	1.6
557.30859	24.4
558.30859	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	557.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61311	0.3
51.22825	0.3
58.00463	0.9
59.01250	100.0
60.01585	1.1
61.98702	0.4
70.31421	0.7
70.31804	0.7
71.01254	15.9
72.99190	1.3
73.02820	0.7
75.00761	0.4
79.95623	0.5
83.01279	0.6
85.02826	2.4
87.00761	1.1
88.98718	0.6
89.02315	22.7
95.01289	0.8
96.95884	1.0
101.02319	10.0
106.04138	0.4
107.01343	0.3
110.13838	0.3
113.02332	7.8
116.90553	0.4
119.03384	11.5
123.00741	0.6
125.02354	2.3
126.20182	0.3
131.03400	1.2
135.04430	0.4
135.50189	0.4
142.46803	0.4
143.03404	2.5
149.04494	1.1
151.03889	0.3
151.07529	0.4
161.04430	2.8
165.09067	0.4
165.55106	0.3
167.10698	0.4
169.01347	2.7
179.05525	6.4
180.05753	0.5
217.01425	0.4
293.17978	0.4
301.00021	1.0
312.93320	0.3
361.36725	0.4
405.10046	0.5
497.27481	8.2
498.28003	1.4
519.31903	0.7
521.33246	8.4
522.33618	1.5
557.30920	14.4
558.31451	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69325	0.8
52.37875	0.7
55.01753	1.1
58.00463	1.4
59.01250	100.0
70.45853	2.6
71.01253	20.0
72.99163	1.7
73.02814	2.9
75.00762	1.1
78.91218	0.7
83.01247	1.9
83.04896	5.2
85.02831	6.5
87.00762	1.4
89.02315	22.5
89.05324	0.7
89.91953	0.8
95.01246	2.3
96.95872	3.3
99.00760	1.4
99.04395	0.8
101.02322	15.1
107.01279	1.2
113.02336	9.8
114.01884	0.9
114.15599	0.9
119.03384	12.3
123.00763	2.3
125.02342	3.7
131.03419	0.8
135.04391	1.1
137.09572	1.9
143.03387	1.2
149.09633	0.9
151.07503	1.4
151.11116	1.8
153.09128	5.1
161.04445	3.9
165.09140	4.8
165.10258	0.8
167.10686	6.7
167.65942	0.8
169.01347	3.9
179.05553	2.8
182.17274	0.8
214.99872	1.1
300.99994	1.4
317.21140	13.1
318.21515	1.4
330.35822	0.8
335.22302	16.5
336.22626	1.9
359.28098	1.3
470.22949	0.8
497.27545	47.5
498.27969	5.0
519.31671	4.9
520.32019	1.1
521.33289	8.3
522.33759	1.6
557.30859	24.4
558.30859	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	557.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41215	6.4
59.01246	44.9
61.98703	9.7
69.28948	17.8
69.29362	43.3
71.01259	25.0
73.92544	6.9
86.01982	6.3
89.02315	46.7
90.40957	5.7
90.67938	5.6
95.01261	13.1
97.02836	6.3
98.19808	11.2
101.02318	19.6
107.01246	20.4
111.00692	5.7
113.02334	10.5
114.83898	5.5
119.03377	23.6
123.00764	28.9
125.02331	67.5
139.00214	6.9
151.00230	21.9
153.01866	14.5
166.99728	21.0
168.00557	14.1
169.01352	100.0
179.05496	21.5
181.01328	16.4
183.02855	16.0
214.99815	7.1
217.01404	7.2
229.01369	8.2
230.99046	7.1
243.12273	15.2
245.01086	6.8
258.22464	6.0
273.00491	10.6
283.09616	14.6
299.98938	9.1
300.99844	53.5
302.00278	6.5
311.09143	38.2
326.11469	37.7
341.13968	60.1
473.39389	6.6
546.15936	7.0
557.17792	38.7
558.18011	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	557.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35742	0.2
59.01250	2.5
60.27278	0.2
67.01765	0.5
68.53473	0.2
69.03335	1.5
70.40900	0.5
70.41251	0.3
71.01262	0.6
79.01782	0.3
81.03323	0.7
83.01270	0.4
85.02825	0.3
89.02306	0.7
95.01259	0.8
95.05606	0.2
96.95901	0.3
97.02808	1.3
99.77260	0.2
101.02332	0.5
103.07418	0.2
103.70172	0.2
107.01268	0.7
111.00804	0.3
113.02311	0.4
123.00772	1.4
124.01556	0.6
125.02335	59.5
126.02643	1.6
137.02345	0.3
139.00276	0.5
139.03833	0.2
139.11168	0.5
140.01044	0.4
141.01828	0.4
155.95544	0.2
165.01823	0.2
166.99756	0.5
168.00639	1.1
169.01332	100.0
170.01682	4.0
181.01358	0.3
181.12303	0.5
183.10178	1.2
193.01363	1.4
209.75827	0.2
211.02422	2.4
214.61914	0.2
225.11205	1.1
235.02353	0.2
243.12367	1.9
271.04532	0.9
285.00317	0.2
285.13522	0.3
300.99783	0.7
302.00162	0.2
327.14404	0.6
345.15878	0.2
371.61142	0.2
387.16556	3.2
388.16977	0.3
405.17657	0.6
450.99274	0.7
521.20508	1.0
539.17712	0.4
557.18646	9.1
558.18732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62383	0.4
59.01255	11.7
61.98684	0.5
70.14342	1.9
71.01243	0.9
78.95774	6.5
78.98460	0.9
79.95595	1.5
80.96392	13.0
82.95966	0.8
85.02818	0.6
87.00721	0.5
92.12537	0.3
94.97964	2.5
98.19810	0.6
102.30151	0.4
106.97986	0.4
118.25914	0.4
122.97504	0.9
125.02358	0.7
131.03381	0.5
134.97435	1.0
148.99055	1.5
152.98499	1.3
152.99496	1.1
164.98557	1.9
165.98769	0.5
168.04214	1.1
182.99551	0.7
206.99687	0.5
208.10411	0.4
211.97194	0.4
224.06870	0.8
225.00729	2.9
226.00949	0.8
242.07924	2.3
243.01923	0.4
255.23303	1.0
256.23608	1.1
257.23907	0.7
281.24847	100.0
282.25204	9.6
346.90414	0.4
506.32501	29.2
507.32770	3.4
556.28748	21.9
557.28589	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	556.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.9
61.98695	0.4
66.06630	0.4
72.65047	0.4
78.10445	0.4
78.95775	14.7
96.95872	0.9
98.19780	1.1
122.00015	0.7
140.01112	3.4
146.95677	0.4
152.99472	1.6
196.03734	4.1
204.84904	0.4
214.04808	3.1
217.00247	0.8
259.20685	0.6
275.20178	0.5
277.21719	100.0
278.22064	9.4
341.92813	0.4
370.75763	0.5
424.44882	0.5
474.26242	30.3
475.26404	4.1
538.46771	0.5
556.25439	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	555.3174
Annotation	CHEBI:61255
Peak:m/z	Relative Intensity
55.01736	0.2
59.01250	100.0
60.01584	1.1
61.98713	0.3
65.45802	0.2
65.82248	0.2
71.01257	3.3
73.02821	1.1
80.94374	0.2
83.01262	0.5
85.02828	1.5
86.88760	0.2
89.02325	0.9
95.01279	0.2
96.95898	0.3
99.00810	0.2
101.02315	2.5
113.02331	1.2
114.68236	0.2
116.67084	0.2
125.02344	0.4
131.08430	0.2
133.84547	0.2
134.94003	0.2
141.28201	0.2
143.03453	0.2
159.02905	0.3
161.04475	3.1
169.01358	0.4
230.94131	0.2
255.66255	0.2
353.93936	0.2
357.26785	0.2
495.29703	4.0
495.36545	0.2
496.30313	0.7
519.31512	1.9
520.32172	0.3
539.29028	0.6
540.28674	0.3
555.29614	3.3
556.30646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01252	1.2
63.96106	1.5
69.03301	0.6
71.01250	8.1
71.11716	0.9
73.02812	1.8
78.98457	6.9
79.95605	11.6
80.96391	76.1
81.03331	1.0
85.02828	2.8
87.00739	3.0
92.78196	0.4
93.65273	0.4
94.97961	16.8
94.98573	0.9
96.95890	1.7
97.02828	1.8
99.00749	0.8
101.02309	2.3
106.97966	2.9
112.31487	0.4
122.97479	3.8
125.02338	3.0
127.03919	0.5
134.97456	5.7
136.99026	1.4
146.97490	0.6
148.99049	6.2
152.98532	5.1
164.98543	11.7
166.99925	0.5
183.54091	0.5
199.80908	0.4
206.99651	2.6
209.50940	0.4
217.97707	0.4
225.00694	16.6
226.00955	0.8
244.43524	0.5
253.53102	0.4
255.23262	2.4
299.04431	3.2
555.28412	100.0
556.28729	14.9
569.69397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01567	1.9
61.98702	12.3
67.20089	1.0
71.01250	11.8
71.57069	1.5
72.99197	1.2
73.02842	1.1
75.00721	1.0
75.93916	0.9
78.95773	1.1
79.95602	1.9
85.02829	4.2
88.03929	2.1
89.02316	6.8
95.01284	1.9
96.00747	1.1
96.95904	3.6
98.49245	0.9
99.04387	11.9
101.02318	7.8
113.02318	7.7
114.74321	1.1
119.03379	3.3
123.04417	1.6
125.02327	3.4
131.04520	1.9
132.02916	1.9
137.09622	2.9
143.03419	1.1
149.09608	1.6
151.07501	4.6
153.09102	13.2
154.09470	1.7
161.04442	3.2
165.07890	1.0
165.09154	5.2
167.10670	9.7
169.01341	3.4
177.66325	0.9
179.05438	1.4
198.57472	1.0
217.00256	3.9
259.20667	7.0
260.21271	1.1
261.22305	1.1
289.21732	22.1
290.22049	1.9
299.98917	1.3
300.99817	3.2
302.00348	1.1
333.20691	93.5
334.20990	9.8
357.20734	6.9
357.26318	2.2
375.21732	2.4
405.22946	1.2
495.29141	4.8
517.29980	1.7
555.23151	1.0
555.29846	4.1
556.30670	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	555.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
58.99484	0.6
59.01252	100.0
59.29205	0.7
60.01574	1.3
61.98697	4.3
62.18393	0.7
68.23000	0.7
70.77970	1.3
71.01251	11.0
72.99146	1.0
73.02814	1.9
77.99950	0.7
79.95606	3.5
80.96394	1.6
83.01284	1.1
85.02815	3.9
87.00746	1.3
87.04385	8.1
87.04804	0.8
88.03922	1.6
89.02316	6.2
91.55431	0.6
95.01272	1.7
95.02389	0.7
95.04872	0.8
96.95872	3.5
97.06476	0.8
99.00771	1.2
99.04421	3.0
101.02345	6.1
101.06011	0.8
113.02327	4.6
119.03413	2.4
123.00829	1.3
123.04398	0.8
125.02371	2.0
131.03531	0.8
131.04488	1.0
135.04543	0.6
137.09616	1.0
138.95163	1.0
139.07504	0.7
143.03371	1.0
149.09610	4.6
152.04124	0.6
161.04494	2.9
163.11261	0.8
165.09093	1.0
167.10727	1.0
169.01398	2.2
179.05594	1.3
184.68489	0.7
195.40723	0.6
217.00217	0.7
227.90141	0.7
251.16603	2.7
252.17114	0.7
271.20798	2.8
289.21649	0.9
300.99802	1.4
315.19641	15.9
315.23215	0.9
316.20001	1.5
333.20676	28.4
334.21054	3.3
355.25037	1.5
357.20822	0.7
357.26648	2.7
495.25974	30.2
496.26450	4.4
509.25839	4.8
555.30450	1.3
556.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23193	0.4
59.01250	4.3
61.98697	1.7
62.06699	0.5
67.01765	0.7
71.01250	2.6
71.04419	0.9
73.02829	0.9
74.05532	0.4
75.00745	0.7
79.68024	0.5
79.95617	0.8
82.80661	0.5
83.01283	0.6
85.02820	0.8
87.00758	0.6
88.03906	1.0
89.02327	1.0
93.03329	3.6
95.01250	1.5
95.04905	1.1
96.95870	0.7
97.02834	0.6
101.02322	1.2
105.03343	0.5
106.38536	0.5
107.01268	1.0
108.02049	3.8
109.02848	1.6
113.02301	0.5
121.02844	12.1
122.03635	11.2
123.00771	1.6
123.04460	3.6
125.02346	2.4
132.02063	1.1
133.02852	3.7
134.03667	0.6
135.04430	2.0
136.01569	1.4
137.02371	1.5
139.00238	0.5
139.11229	0.7
145.02855	0.8
147.04390	1.5
148.01617	0.7
149.02348	66.9
150.03134	75.7
151.03491	3.9
152.01039	4.9
153.05476	0.5
154.40990	0.4
159.04404	0.8
160.05255	2.2
161.05965	1.9
162.03098	0.8
163.03925	4.2
164.04707	13.4
165.05484	68.8
166.05901	4.0
167.03407	7.1
169.01335	3.7
175.03975	0.7
175.07582	1.8
176.04573	0.5
177.05478	1.4
178.06302	0.7
179.07054	1.8
180.04187	4.8
180.07809	0.5
181.04906	0.5
181.08617	0.7
183.10211	1.0
185.21188	0.5
194.05727	0.5
195.06555	39.8
196.06902	2.7
202.55525	0.5
207.06555	1.0
211.02422	0.7
222.08823	0.6
223.07771	0.5
225.11241	0.6
239.07146	0.7
240.04271	1.1
241.08693	0.9
243.12473	0.6
253.08778	0.5
255.06662	0.6
255.10339	0.7
265.08710	0.7
267.06570	0.7
267.10297	1.4
268.10751	0.6
269.08331	3.9
269.11575	2.9
270.08740	0.9
270.12408	0.5
271.09781	0.5
281.08289	0.9
281.11923	0.6
282.08899	0.6
283.09857	1.8
283.13278	0.6
295.06171	1.0
296.10526	1.0
297.11298	10.5
298.08600	1.0
298.11896	2.0
299.09161	3.8
299.99057	0.7
300.10022	2.9
300.99960	1.2
310.08380	0.7
311.09244	3.4
311.12918	2.0
312.09854	1.2
313.10712	2.1
314.11542	5.2
315.12167	2.9
323.13101	0.7
325.10803	2.8
326.11536	2.0
327.12213	1.4
328.13162	0.6
329.13919	17.9
330.14297	2.6
341.13922	7.6
342.14374	0.8
344.37006	0.5
345.13541	0.6
371.15213	0.8
417.13580	0.6
431.14807	4.0
433.16660	3.4
434.16724	0.7
447.14297	1.0
461.16406	1.0
462.16925	3.8
463.17664	1.3
464.17920	0.6
477.19147	15.8
478.20038	2.5
489.19257	1.9
490.19888	0.6
492.18008	2.2
495.31659	1.6
507.20236	100.0
508.20584	17.4
555.22052	4.7
556.22760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
61.36086	0.1
70.90432	0.3
77.96452	0.2
78.95773	6.3
79.95596	0.2
80.96402	0.2
83.04878	0.1
107.04713	0.2
108.90009	0.2
112.17471	0.2
128.50417	0.2
152.99501	1.2
164.98515	0.2
168.04250	1.6
174.99092	0.3
198.44148	0.2
217.00240	0.6
224.06966	0.8
242.07959	2.9
261.22226	0.4
275.48904	0.2
277.21555	0.4
279.23273	100.0
280.23624	9.1
453.28534	0.3
504.30939	29.3
505.31274	3.6
554.27325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.5
68.01450	0.3
71.48062	0.6
74.34502	0.3
78.95775	23.6
80.59325	0.3
96.95896	0.4
100.17272	0.3
119.94434	0.3
122.98470	0.3
126.87850	0.3
129.67975	0.3
131.59491	0.3
146.17107	0.3
152.99500	2.7
168.04193	3.1
173.30118	0.4
208.16835	0.3
217.00269	0.8
224.06889	9.1
242.07921	2.2
261.22250	0.5
279.23279	100.0
280.23630	9.0
309.51117	0.3
359.58856	0.3
504.30954	59.5
505.31302	8.9
505.38892	0.4
545.00018	0.3
554.26917	0.4
555.10394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53148	0.2
58.00203	0.2
59.01250	24.2
62.43478	0.2
69.30222	0.2
70.33552	0.5
70.33957	0.5
71.01256	0.9
73.02789	0.3
78.95775	20.0
78.98447	0.8
79.95618	1.4
80.96391	8.6
85.02801	0.5
87.00745	0.4
94.97955	2.0
96.95882	0.5
96.96824	0.3
101.02356	0.3
106.97943	0.4
122.97453	0.9
122.98377	0.5
125.02330	0.6
134.97472	0.9
148.99034	0.8
152.98497	0.5
152.99544	3.0
164.98552	1.5
168.04228	3.1
212.23520	0.2
224.06871	8.8
225.00658	2.9
225.07249	0.4
242.07974	2.0
243.01750	0.3
255.23260	100.0
256.23596	8.8
299.04343	0.4
428.97165	0.2
480.30930	58.5
481.24588	0.6
481.31274	7.7
554.26807	1.7
555.28412	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	553.3149
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
57.02303	3.4
59.01253	40.5
61.98692	12.7
71.01257	5.8
71.56931	4.7
79.95586	8.6
80.91538	3.5
80.96364	9.2
89.02292	3.9
96.95894	14.1
101.02297	5.5
123.00729	6.6
124.01688	4.6
125.02322	15.9
126.33557	3.7
130.64696	3.8
167.76270	4.1
169.01393	21.3
170.01694	4.4
199.84100	4.6
300.99838	15.3
359.67972	4.1
506.37546	4.4
553.32056	100.0
554.31512	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	553.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40961	6.8
59.01253	63.1
60.81218	5.9
61.98701	18.3
64.58956	6.5
69.50342	55.3
71.01257	13.8
72.99164	6.9
79.95571	14.6
80.96387	6.2
85.02832	6.1
87.00760	7.1
87.49117	6.0
96.95881	24.6
97.77135	6.0
101.02338	12.4
107.01274	12.2
113.91113	5.7
121.02790	6.5
123.00774	16.5
125.02326	39.2
131.04550	7.0
134.03601	12.8
134.25143	5.6
138.27393	7.1
139.00224	9.9
151.00349	13.2
169.01382	44.9
275.01868	7.1
300.99847	18.8
313.18088	6.5
355.24814	14.2
389.56790	5.9
412.27216	7.6
478.15735	6.8
553.25702	65.8
553.31744	100.0
554.26538	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	553.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03325	0.7
58.00467	1.3
59.01250	100.0
60.01602	1.0
61.70368	0.4
61.98706	3.1
63.08482	0.5
70.53949	1.6
71.01252	21.2
72.99187	1.8
73.02830	2.5
73.03185	0.6
74.02358	1.2
75.00747	1.1
78.95778	0.8
79.95596	0.7
80.80861	0.5
83.01273	1.4
85.02817	4.7
87.00768	1.6
89.02315	23.7
95.01272	1.4
96.95917	1.1
97.02822	0.6
99.00782	1.1
101.02320	12.5
107.01289	1.2
107.04890	0.5
113.02330	7.9
119.03394	8.9
123.00799	1.4
125.02316	3.3
125.87441	0.5
131.03323	1.0
134.03648	1.9
135.04410	1.6
137.09607	1.6
139.00235	0.9
141.01724	0.6
143.03410	2.5
149.04468	0.7
149.06015	1.4
149.35069	0.5
159.02869	0.7
161.02440	0.8
161.04478	4.2
162.03001	0.5
165.05487	0.5
165.09070	1.2
166.99796	0.9
167.10719	1.3
169.01376	3.4
179.05533	6.1
179.06987	0.8
205.05000	0.5
207.02937	1.2
222.05273	0.8
235.17001	1.3
245.01021	0.5
248.95296	0.5
270.98694	0.5
301.00018	1.9
301.18118	1.1
312.11014	0.4
329.17264	0.6
331.19086	1.9
355.24887	1.2
391.27136	0.6
395.06387	1.2
403.23392	0.8
493.24414	16.8
493.33334	0.7
494.24683	2.2
505.19058	0.6
553.31696	3.5
554.30328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27412	0.4
54.36176	0.4
55.01755	0.8
57.03317	0.6
58.00463	0.7
59.01250	100.0
60.01600	0.9
61.98708	2.1
70.90011	0.4
70.90350	0.8
71.01254	16.3
72.99185	1.6
73.02831	1.3
74.02366	0.6
75.00748	1.1
78.95792	0.7
79.95642	0.4
82.66951	0.4
83.01273	1.1
85.02820	3.8
87.00769	2.2
89.02317	20.7
95.01266	1.7
96.95907	1.1
97.02835	0.5
99.00754	0.5
101.02325	10.5
107.01303	0.4
111.00786	0.6
113.02336	6.3
119.03388	8.5
123.00787	1.4
125.02332	3.4
126.02650	0.4
131.03397	0.9
134.03668	1.2
137.09628	1.2
143.03404	2.1
149.04517	0.7
149.05965	0.8
153.09174	0.5
161.04483	4.0
165.05466	0.4
165.09154	1.5
166.99783	0.7
167.10637	0.6
169.01335	3.7
179.05525	3.7
207.02974	0.4
222.05238	0.8
235.16930	1.8
237.07527	0.4
245.01091	0.4
273.00726	0.5
285.00824	0.4
299.99078	0.6
300.99930	1.8
301.18219	0.8
302.00522	0.4
329.16269	1.1
331.19092	2.9
355.24875	2.0
356.25409	0.4
403.23795	0.4
439.76071	0.4
473.05240	0.6
493.24396	15.3
494.24646	2.1
517.30255	0.8
553.30603	2.8
554.29303	0.7
573.59399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
61.20578	0.4
61.98701	1.5
65.00192	0.7
70.39509	0.5
70.39862	1.7
71.01257	1.0
85.02803	0.5
86.47491	0.4
87.00768	0.5
89.02301	0.6
90.97160	0.4
93.03333	2.2
93.73244	0.4
95.01249	1.3
95.04916	1.0
97.02850	0.5
101.02394	0.6
105.03349	0.6
107.01279	0.6
108.02110	0.7
109.79215	0.4
112.92865	0.5
118.81609	0.4
121.02847	7.2
121.49894	0.4
122.03635	8.6
123.00765	1.5
123.04434	0.7
125.02363	2.8
132.02075	0.8
133.02803	1.3
134.03632	0.6
135.04425	0.5
136.01556	1.1
137.02319	1.6
137.06001	0.6
139.03893	1.6
140.01036	0.4
140.04233	0.5
141.97618	0.4
147.04436	1.2
148.01581	1.6
149.02354	87.8
150.03143	74.1
151.03497	2.8
153.01866	2.3
153.05487	1.6
157.53870	0.4
160.05231	0.5
163.03946	1.8
163.07532	0.6
164.04712	26.0
165.01918	2.1
165.05493	93.6
166.02679	1.9
166.05830	5.2
166.99741	0.9
167.03357	0.8
167.07161	0.4
168.00552	0.6
169.01343	3.1
177.05464	0.6
178.02628	0.7
179.03413	1.0
180.04214	6.7
181.03389	0.7
181.04988	12.4
182.05693	2.0
182.35985	0.4
193.04930	1.0
193.08633	5.2
195.06570	75.7
196.03781	3.1
196.07259	11.3
196.56296	0.4
197.04524	0.7
197.08122	3.8
205.01279	0.5
206.05217	0.5
207.79422	0.4
210.05367	0.6
211.02415	0.5
211.04425	0.6
211.06160	5.7
211.09697	10.6
212.10063	0.4
233.20811	0.5
245.00830	0.6
291.01526	0.5
300.09952	0.7
300.99850	1.7
301.10803	0.9
303.01276	0.6
312.10028	0.7
313.10822	1.7
315.12369	0.9
344.12637	18.9
345.13055	2.7
359.14996	100.0
360.15311	11.8
360.19632	0.9
407.17163	14.3
408.17361	1.7
505.20987	1.5
553.18713	0.5
553.32104	0.6
554.19855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58995	4.5
59.01250	41.0
60.99203	4.7
71.01262	19.7
71.56726	6.5
73.52157	4.6
75.00758	10.2
76.93876	4.8
85.02835	6.8
88.38653	4.5
88.98686	8.2
89.02332	15.1
95.01266	8.6
101.02307	10.0
116.92745	22.2
119.03442	11.5
121.02881	6.3
123.00739	7.1
125.02320	16.7
139.00281	7.3
148.90971	5.0
151.00400	5.7
161.71150	5.6
163.00346	6.0
163.04030	4.6
166.06253	10.8
166.99776	8.8
169.01357	26.1
178.99765	5.1
181.08607	22.9
200.98596	5.9
229.01518	7.6
245.01047	5.4
249.73608	4.7
259.02576	7.2
269.42236	5.5
271.02472	18.5
287.01962	20.6
300.99838	13.4
307.56470	5.4
315.01276	25.2
316.02219	75.0
317.02615	8.7
318.90930	5.8
329.02982	6.9
331.04507	37.7
360.78506	6.0
376.91592	14.0
391.26599	5.4
405.91812	19.4
420.94125	29.1
448.06693	10.4
460.39215	5.1
463.08743	100.0
464.09079	10.9
552.98438	32.4
553.31378	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17517	1.1
59.01247	2.9
60.99176	2.5
65.00202	1.5
69.89475	4.2
69.89896	1.7
71.01257	2.0
73.49627	1.1
74.74536	1.1
75.72121	0.9
75.92389	1.1
88.98691	10.0
95.01254	2.3
98.19840	1.4
107.01276	5.1
109.02837	1.2
109.93917	1.1
113.02317	1.2
114.37362	1.2
123.00748	5.8
125.02345	9.7
137.02341	2.2
138.52074	1.1
139.00299	2.5
151.00229	7.9
153.01805	1.3
154.99834	1.2
161.02339	1.2
163.00313	2.9
164.01038	1.5
166.99759	4.5
168.00493	1.7
169.01346	11.9
177.01801	1.6
178.99791	8.1
179.03340	1.2
203.03418	1.8
214.02611	4.1
217.01395	1.5
229.01379	1.2
242.02159	4.7
243.02951	2.7
245.00780	1.5
247.02380	1.4
259.02460	3.4
259.99350	1.2
270.01672	4.9
271.02448	23.6
272.02698	1.4
275.01993	1.6
287.01978	14.2
288.02441	1.9
300.99921	6.3
301.02975	1.4
311.97403	1.4
316.02231	87.1
317.02942	20.0
318.03403	1.5
331.56790	1.2
347.00500	1.8
394.62338	1.4
463.08820	100.0
464.09012	10.8
540.14679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99613	0.3
57.44463	0.4
59.01256	2.9
61.98695	1.9
70.70579	1.4
71.01257	0.4
78.95773	28.4
96.95871	0.5
117.56129	0.4
119.85229	0.3
152.99478	4.3
168.04195	5.6
193.88927	0.4
212.31909	0.5
224.06871	11.0
225.07190	0.5
236.88496	0.5
241.70512	0.4
242.07939	2.9
253.21701	1.9
259.20648	0.6
275.20126	0.5
277.21707	100.0
278.22058	10.2
287.35416	0.3
290.79703	0.5
349.26187	0.5
478.29596	0.6
495.20651	0.4
502.29385	78.8
503.29715	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	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.4
61.98711	0.4
69.40233	0.8
69.40656	1.1
74.13879	0.2
78.95773	7.8
81.88005	0.3
104.60960	0.2
109.52572	0.2
121.57779	0.2
138.04303	0.2
147.46324	0.3
151.61366	0.2
152.99451	1.9
158.27342	0.3
168.04190	1.6
193.78334	0.3
224.06877	0.9
233.22543	0.2
237.40448	0.3
242.07971	2.9
259.17728	0.3
259.20435	0.5
275.20325	0.2
277.21707	100.0
278.22049	10.3
464.43796	0.3
489.43585	0.3
502.29391	34.9
503.29770	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	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52622	0.4
59.01250	16.6
65.80889	0.4
66.93063	0.4
71.01258	2.8
71.56347	0.6
73.02811	0.7
78.95788	0.9
80.38393	0.4
83.01269	0.4
85.02810	0.9
87.00800	0.4
89.02316	2.4
95.28952	0.4
96.95879	0.7
101.02334	3.9
113.02339	1.0
119.03366	0.8
161.04439	1.2
192.93898	0.4
235.08173	3.0
253.09256	11.6
254.09726	0.5
255.23267	100.0
256.23624	9.0
349.29376	0.5
359.47379	0.4
359.52490	0.4
473.94623	0.5
474.68268	0.5
491.31894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51359	5.4
59.01255	73.5
61.98689	16.4
71.01244	25.3
71.20754	9.8
71.21079	7.2
73.02836	6.3
79.95612	11.7
87.17029	6.4
89.02340	8.0
90.54589	5.6
93.94122	5.2
96.95870	11.5
101.02323	12.0
107.01276	15.5
111.00727	7.6
113.02300	7.4
123.00759	29.8
125.02320	43.5
140.01047	8.0
151.00284	13.1
155.10635	7.7
168.00537	8.5
169.01396	37.0
178.86136	5.5
199.09448	7.3
211.02370	14.2
271.04443	7.7
300.99911	13.8
329.26974	17.3
369.95514	6.4
551.07617	9.0
551.24554	100.0
551.30780	51.1
552.25403	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28896	0.9
59.01247	13.3
60.92465	0.9
61.11460	1.0
69.73776	6.4
71.01265	4.0
73.02818	1.1
84.22906	1.0
89.02320	2.3
95.31001	1.1
98.20540	1.3
101.02338	2.7
161.04480	1.1
170.93210	1.0
230.97667	1.1
235.08139	1.6
253.09264	10.7
255.23265	100.0
256.23599	9.7
470.83240	1.3
551.33459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	6.9
55.13439	6.1
59.01249	100.0
61.98693	35.9
64.68794	6.5
67.01754	7.7
70.78954	19.5
71.01245	46.6
73.02822	9.7
75.48871	5.8
79.95607	7.2
85.02827	14.2
89.02310	19.2
91.49929	6.7
95.01266	10.9
96.95859	16.7
99.00781	8.5
101.02328	20.8
107.01295	13.0
113.02342	11.3
123.00757	29.4
125.02328	41.2
139.00284	6.7
151.00264	19.6
169.01346	44.5
261.00305	7.9
279.01416	13.9
283.35236	7.6
299.99271	9.3
300.99866	21.9
334.58624	7.8
395.54941	6.8
419.29965	12.4
491.29022	7.3
551.24957	83.0
551.31750	22.5
552.24841	13.2
562.56573	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	551.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73521	38.1
52.03993	30.6
58.44158	38.1
59.01250	100.0
61.98687	48.7
71.56651	58.8
74.67691	35.8
78.95788	58.3
96.95878	50.0
114.98171	36.1
169.01135	34.7
179.54572	33.4
255.23274	71.8
309.20587	82.4
361.53989	50.3
442.21005	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30293	0.3
57.03321	0.6
58.00451	0.4
59.01253	4.2
65.94347	0.4
66.19954	0.5
67.01761	1.3
68.99717	0.4
69.03320	1.0
69.30021	3.9
71.01263	4.4
72.99167	0.8
73.02817	1.0
73.54066	0.3
75.00756	0.7
79.01762	1.4
79.95603	3.0
81.03321	0.4
83.01253	1.5
85.02824	1.8
88.47252	0.3
89.02302	1.2
95.01277	2.3
95.95091	0.6
96.95883	5.7
97.02829	1.7
99.00736	1.0
101.02306	2.1
107.01260	3.8
109.99969	0.5
111.00784	2.8
112.42331	0.4
113.02355	1.1
119.03365	0.4
121.02796	0.4
123.00768	17.0
124.01553	1.3
125.02341	17.7
126.02675	0.8
127.00298	1.3
131.12856	0.4
136.98706	2.0
137.02365	0.5
139.00264	5.7
140.01051	4.8
141.01843	2.2
145.02817	0.6
150.03189	0.4
151.00282	10.4
151.11221	0.5
152.00607	0.4
153.01813	1.1
153.70297	0.3
161.04457	0.6
165.01909	0.4
165.37067	0.3
166.99753	0.5
168.00558	7.2
169.01343	26.3
170.01669	1.1
177.03957	3.1
182.89067	0.4
191.03580	0.7
198.97235	0.3
211.02428	3.3
271.04553	0.9
291.91583	0.4
300.99817	0.5
313.05658	1.0
329.05124	1.2
389.16223	2.6
436.98709	0.4
505.34015	1.0
551.24976	100.0
552.25336	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	551.2497
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
55.01764	0.7
57.03331	0.5
59.01252	19.0
61.98682	0.4
67.01757	1.4
68.99682	0.5
69.03329	1.0
69.33115	3.5
69.33542	0.8
71.01257	6.9
72.99172	0.9
73.02810	1.2
78.26127	0.4
79.01763	1.2
79.95609	1.7
80.96389	0.5
83.01259	1.7
85.02814	1.9
87.00773	0.8
89.02316	3.9
95.01266	1.7
96.95901	4.3
97.02843	1.6
99.00767	0.8
101.02321	3.5
107.01268	3.8
111.00768	4.2
113.02345	1.7
119.03415	2.0
123.00768	16.5
123.04370	0.9
124.01522	1.4
125.02347	18.1
126.02666	0.6
127.00248	1.9
136.98709	2.0
139.00279	6.3
140.01062	5.1
141.01846	2.2
151.00287	11.6
153.01811	0.9
153.09027	0.7
159.77586	0.4
161.04430	0.7
163.07588	0.9
165.09055	0.6
166.99734	0.5
168.00584	8.9
169.01350	26.6
170.01721	1.2
177.03995	1.4
179.03360	0.5
179.05463	0.6
194.02177	0.5
205.12309	1.0
211.02373	3.8
271.04633	0.7
300.99899	0.6
311.16187	0.5
313.05511	1.2
313.09100	0.5
329.05325	0.4
329.16434	1.4
389.16473	1.3
431.35849	0.5
491.23004	3.7
492.22864	0.8
502.77701	0.5
551.24902	100.0
552.25269	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2498
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
51.60758	0.2
52.16288	0.3
55.01748	0.6
57.78511	0.2
59.01251	6.4
61.98697	0.3
65.00190	0.3
67.01753	0.9
67.51331	0.3
68.99667	0.4
69.03320	0.4
69.59122	1.7
71.01254	4.3
71.85897	0.2
72.99173	1.0
73.02814	0.7
75.00741	0.8
77.49940	0.2
79.01765	0.9
79.95599	0.6
83.01260	1.0
85.02822	1.0
87.00743	0.6
89.02322	1.9
95.01259	2.4
96.95882	1.3
97.02826	0.9
98.19826	0.5
99.00740	0.4
101.02328	2.6
105.88416	0.3
107.01271	4.9
109.99981	0.6
111.00771	2.5
113.02327	1.3
119.03384	0.4
119.16731	0.3
121.02810	0.3
123.00774	17.0
124.01643	1.4
125.02336	18.5
126.02682	0.5
127.00259	0.9
131.11180	0.3
136.98706	1.8
137.02319	0.4
139.00264	5.4
140.01053	4.5
141.01846	3.0
151.00273	10.5
151.03845	0.3
153.01848	0.9
154.99753	0.3
155.40125	0.2
161.04391	0.3
163.03908	0.4
167.03377	0.3
168.00552	4.6
169.01338	29.2
170.01654	1.1
177.03963	3.1
179.03288	0.3
179.07208	0.3
181.04999	0.4
203.03607	0.3
205.92989	0.3
211.02423	3.6
241.03415	0.3
253.03430	0.3
271.04611	2.3
275.01633	0.3
300.99765	0.7
313.05746	1.3
329.05252	1.5
353.59366	0.3
423.02881	0.3
449.96515	0.3
491.23038	0.8
505.33920	0.8
551.24957	100.0
552.25330	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65250	3.5
58.00445	4.7
59.01254	79.2
63.94482	3.1
71.01254	63.8
71.55445	3.1
71.55935	5.3
72.99172	8.6
83.01273	3.5
83.04890	4.7
85.02820	11.7
87.00751	5.6
89.02319	75.1
95.01245	8.2
96.95911	4.4
101.02314	19.1
107.01237	9.0
107.57722	3.1
111.00763	8.1
113.02316	9.9
119.03374	4.9
119.04886	3.7
120.77953	2.8
121.02859	4.4
123.00780	22.0
124.01435	3.0
125.02331	41.5
126.02705	5.2
131.03348	7.0
139.00259	14.2
149.04459	11.1
151.00162	4.3
151.03908	7.2
152.01003	3.5
155.92418	3.6
159.04401	3.9
161.02322	4.8
163.00218	5.1
165.01891	3.6
166.99773	12.3
169.01312	64.5
170.01736	4.9
175.03903	13.7
177.05450	3.9
182.99252	6.5
187.03938	10.4
188.04756	6.2
189.01787	4.8
190.06235	4.1
205.04999	12.6
211.02348	3.5
217.01331	4.4
217.08728	4.6
220.07346	9.0
231.02928	4.1
235.09715	10.7
245.00874	6.1
263.01938	3.7
269.08185	7.2
273.00461	7.4
299.09286	7.0
299.98978	4.9
300.99933	25.4
311.09189	6.3
314.11563	7.1
315.12418	3.7
321.41290	3.9
325.10281	4.4
329.10501	4.0
329.13898	17.4
341.10178	14.0
341.13867	6.8
345.13388	4.5
356.12634	8.8
371.15079	8.0
371.24387	4.2
389.16013	3.4
389.25537	17.3
401.16025	100.0
402.16537	9.5
493.26474	4.7
503.15436	5.1
521.20526	21.6
522.20630	4.8
533.20221	23.9
534.20642	4.3
551.21796	5.6
551.30536	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30217	0.3
57.03321	0.9
58.00462	0.5
59.01249	9.9
61.98699	0.6
62.27110	0.3
66.49301	0.3
67.01762	0.4
69.03326	0.5
71.01251	5.9
71.56298	0.3
71.56699	0.6
72.99180	0.7
73.02825	3.9
75.00738	0.5
83.01258	5.5
85.02832	1.5
87.00759	0.7
87.04406	1.0
89.02309	1.9
89.23357	0.3
90.78659	0.3
93.03342	1.2
96.95882	2.0
97.02826	0.8
99.00821	0.4
99.04390	0.6
99.92463	0.5
101.02321	4.4
107.01262	0.6
109.02833	0.8
109.06475	0.5
113.02321	0.8
116.92747	3.9
117.03357	0.4
117.92699	0.4
119.04912	100.0
120.05227	3.8
123.00767	1.2
123.04396	0.6
125.02316	2.6
133.06407	0.5
135.04434	0.5
139.07507	0.5
139.11182	4.6
145.02821	0.5
151.11192	0.6
153.01828	1.5
161.02313	0.5
163.03912	76.9
164.04253	4.2
165.05484	1.0
165.09198	0.7
166.99721	0.5
167.10742	0.6
169.01309	2.9
169.12244	1.9
175.03998	0.3
179.03627	0.4
179.05499	0.4
179.07011	0.4
179.10687	1.5
181.12291	1.9
183.10190	7.9
197.09990	0.4
197.11766	1.4
201.01859	0.4
209.08167	1.0
225.11258	9.9
226.11595	0.7
227.16470	0.5
243.12349	8.2
244.12677	0.7
249.11290	1.1
267.12338	1.9
279.12100	0.4
285.13370	1.5
291.12494	2.1
291.15088	0.4
299.99149	0.5
301.00009	1.7
309.13480	0.5
315.07248	0.6
326.11594	0.7
327.14487	2.8
341.13718	0.9
365.18173	0.4
379.19662	0.9
387.16602	7.4
388.16837	1.0
389.21640	4.6
389.25928	0.7
390.22037	0.4
445.15134	0.4
460.17297	0.7
468.48770	0.4
475.19690	2.2
487.19748	0.9
533.32922	0.6
551.13177	0.7
551.21259	12.8
551.34668	3.1
552.21759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.02378	0.6
57.03320	0.8
59.01252	12.8
71.01250	5.5
71.56354	0.9
72.99179	0.6
73.02817	4.2
74.02347	0.7
78.94307	0.6
78.95806	0.9
83.01257	4.7
85.02815	1.9
87.00766	0.6
87.04388	1.3
89.02329	0.9
96.95895	1.4
97.02871	0.7
97.06497	0.7
101.02295	3.5
113.02345	1.9
119.04916	100.0
120.05265	4.7
123.00750	1.7
125.02351	2.5
139.11206	4.4
145.02931	0.7
163.03918	63.1
164.04291	3.1
166.99698	1.2
167.71626	0.6
169.01332	4.0
169.12250	1.5
172.43633	0.6
179.05580	0.8
179.10696	1.1
181.12254	2.2
182.02138	4.1
183.10184	8.0
184.10577	0.8
187.13338	0.6
197.11751	1.5
199.13309	1.2
218.41614	0.7
225.11235	8.9
243.12352	8.7
249.11261	1.4
267.12378	1.4
285.13345	1.2
291.12405	1.8
299.99033	1.8
300.99771	2.0
301.99982	0.7
309.13330	0.8
327.14468	2.4
329.17615	2.1
387.16553	7.0
533.20190	0.9
551.21307	28.0
551.30798	2.1
552.21436	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	550.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64411	3.3
59.01251	4.6
63.04665	3.4
65.00218	3.9
65.03369	3.7
69.55740	23.6
70.85426	4.0
71.01245	8.3
89.02293	4.6
95.01270	7.1
107.01267	8.5
120.99466	4.3
123.00764	8.9
125.02334	77.0
137.02324	11.7
146.02364	3.9
149.02324	4.3
151.00334	17.6
152.00932	3.6
163.00282	30.4
164.01012	10.6
164.03461	10.1
165.01874	6.4
166.99713	7.0
169.01378	20.3
177.01839	14.3
178.99782	14.2
189.01886	3.9
191.02109	4.5
200.99231	3.3
201.01959	3.8
202.99745	4.5
203.01855	5.8
204.88000	3.7
209.04536	9.8
218.04626	9.8
220.00307	4.8
225.11201	3.8
230.00899	13.5
231.01608	6.7
236.05627	20.3
236.49191	3.5
243.02809	5.7
259.02441	7.4
262.03540	88.5
271.02487	9.7
285.03827	5.0
285.87854	3.9
287.01996	11.8
287.07803	13.9
300.02441	5.4
300.99930	8.5
301.03409	8.8
315.01425	12.2
316.02057	10.7
317.02582	4.4
326.06427	35.0
329.02957	14.1
330.03601	4.6
331.00623	5.8
331.04431	6.9
341.08795	15.3
343.04626	5.2
347.04163	5.1
352.04663	10.5
355.03265	5.4
356.04114	8.9
370.05713	10.0
372.03604	10.1
373.04330	8.0
383.08771	4.7
388.06805	23.9
392.06348	8.3
427.02487	3.8
492.08972	16.3
493.09464	5.8
500.08258	6.1
509.09283	15.9
518.09399	15.4
532.10986	21.1
550.11969	100.0
551.12097	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28135	1.6
55.82446	1.5
57.03326	2.2
58.00455	1.8
59.01250	100.0
70.05667	2.9
70.06060	7.3
70.96400	1.6
71.01253	46.2
73.02824	12.1
83.01262	4.6
85.02821	19.9
89.02306	13.4
95.01273	2.4
98.19833	2.2
99.00745	4.7
101.02320	31.2
113.02330	21.8
119.03384	9.8
121.66159	2.2
122.69402	1.4
125.02282	2.8
125.14555	1.6
143.03342	3.0
149.04388	1.8
159.02888	5.1
161.04465	28.6
165.01828	2.2
179.05539	7.9
201.97653	1.7
217.00175	5.5
285.05768	2.3
297.28061	2.0
309.96097	1.8
327.29074	16.2
374.99283	2.7
482.43256	2.2
489.34250	26.9
490.34573	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	549.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	86.2
61.98691	11.5
64.47476	5.4
69.26903	45.7
69.27310	12.6
71.01247	33.4
72.56557	6.3
73.02817	10.7
75.81175	6.0
85.02840	14.0
89.02311	37.7
95.01260	7.0
96.95876	6.6
99.00769	10.0
101.02322	25.5
113.02341	11.3
125.02352	6.7
131.02277	5.6
149.04454	19.7
161.04434	7.2
165.49559	6.2
169.01347	11.3
174.99139	12.3
189.37727	6.1
199.35364	7.2
206.07239	7.5
213.76178	6.7
217.00209	25.7
268.55536	6.1
374.99350	7.5
381.22791	10.0
513.26965	100.0
514.27155	16.5
549.24542	62.0
549.32825	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	549.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25049	6.8
59.01252	79.0
61.98703	15.0
71.01259	37.6
71.56802	7.1
73.02822	19.7
78.75291	4.8
78.95747	6.1
79.95626	5.4
80.23308	5.4
80.96398	5.6
85.02818	11.3
89.02311	28.6
95.01208	5.7
96.95899	12.6
99.00756	11.9
101.02317	33.5
112.38293	5.5
113.02319	16.7
122.42759	5.1
123.00731	6.2
125.02339	15.6
146.47070	5.5
169.01373	15.5
173.64935	5.6
218.30316	5.4
236.06931	6.1
314.38528	6.3
367.37497	6.5
370.33783	5.7
381.22684	12.0
411.41962	6.2
440.06964	6.2
489.34503	9.6
513.27026	100.0
514.27618	13.3
549.24115	58.9
549.31830	8.7
550.24402	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	549.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60873	0.2
55.01751	0.5
58.00446	0.3
59.01247	8.2
61.98701	0.5
65.00203	0.3
65.01405	0.2
67.01769	0.9
68.99702	0.6
69.03310	0.5
70.09667	0.5
70.10055	0.8
71.01253	4.7
72.99171	0.9
73.02807	1.0
73.98892	0.2
75.00744	0.5
78.63197	0.2
79.01749	1.2
83.01270	1.2
85.02828	2.1
87.00722	0.7
87.04441	0.3
89.02311	1.4
93.55093	0.2
95.01256	2.4
96.95919	0.4
96.99188	0.3
97.02825	0.9
99.00748	0.5
101.02329	2.4
107.01264	5.1
109.02818	0.3
109.99970	0.7
111.00762	2.7
113.02325	1.5
119.03399	0.5
123.00762	16.5
124.01570	0.9
125.02330	19.8
126.02655	0.6
127.00266	1.1
136.98717	1.7
137.02342	0.5
139.00258	5.3
140.01051	4.4
140.02029	0.2
141.01849	2.3
142.37195	0.2
143.69249	0.2
149.02371	0.3
151.00261	10.7
151.03850	0.2
153.01836	0.9
154.99767	0.6
155.10803	0.3
161.04462	0.3
163.03882	0.5
163.43793	0.2
165.98756	0.2
166.99829	0.3
167.03416	0.4
168.00557	5.4
169.01335	22.8
170.01646	1.1
179.03308	0.4
181.04988	0.3
194.04614	0.3
199.09698	0.4
210.76556	0.2
211.02412	7.3
241.03709	0.3
271.04575	6.0
272.05008	0.5
280.44556	0.2
300.99985	0.3
313.05646	0.8
374.06589	0.4
489.27454	0.3
503.32303	0.5
549.23376	100.0
550.23755	16.0
560.54688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94619	0.2
55.18225	0.2
59.01244	1.1
59.81978	0.2
69.48347	0.2
69.82483	0.4
69.82898	0.7
70.20586	0.1
77.03841	1.9
93.03344	0.3
95.01272	0.2
96.95883	0.3
98.20505	0.3
121.02842	100.0
122.03172	3.1
144.01108	0.2
151.44763	0.2
152.99478	0.2
165.01843	50.5
166.02177	2.2
169.01366	0.2
174.99153	0.2
179.05002	0.2
180.05756	0.6
181.06514	2.2
182.06848	0.3
191.03474	0.2
197.06015	2.5
199.07596	0.2
207.04504	0.9
207.08093	0.3
217.00200	0.3
220.14487	0.2
223.03891	0.3
225.05597	1.5
251.07129	0.2
254.85681	0.3
257.09708	0.8
285.09244	0.4
301.08780	0.2
313.07095	1.2
334.07452	1.3
350.06345	0.2
357.06155	0.7
373.10645	0.2
374.99167	0.2
383.07742	0.6
391.14639	0.6
417.09720	2.0
485.50684	0.2
492.06128	0.7
505.11349	1.6
529.53967	0.2
549.10376	22.7
550.10742	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	547.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70988	1.2
55.01752	3.0
57.03323	5.9
58.00449	2.2
59.01249	42.5
59.68180	1.2
61.98714	2.2
69.03329	2.0
70.02841	1.4
70.71356	3.8
71.01252	66.5
72.99184	4.4
73.02825	16.6
79.95601	1.6
81.03355	1.2
83.01263	6.4
85.02827	26.1
85.99989	1.5
87.00773	3.9
87.04382	1.5
88.03944	1.4
89.02316	26.6
95.01291	5.7
96.00780	2.0
96.95887	8.9
97.02857	1.8
98.95496	2.1
99.00733	7.2
101.02322	41.3
107.01308	1.9
111.00791	2.6
112.93636	2.2
113.02325	27.2
113.03053	2.0
114.01963	1.2
119.01311	1.3
119.03381	9.1
123.00764	2.9
125.02335	6.7
128.03343	1.4
129.01820	1.3
131.03452	1.7
138.95221	2.5
139.00285	1.3
143.03419	3.6
143.04512	2.1
159.02899	4.7
161.02432	2.2
161.04454	27.3
161.05638	2.2
163.03963	1.9
167.10696	2.7
169.01357	8.8
179.05545	3.2
201.14951	4.7
213.11285	2.7
300.99930	2.3
333.19312	4.3
363.20236	100.0
364.20590	10.4
365.78091	1.6
367.24789	1.6
371.07617	1.9
385.26086	12.3
386.26312	1.3
470.58792	1.2
529.30737	5.0
547.31372	57.7
548.31757	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	547.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79859	0.2
56.43352	0.2
59.01251	1.2
71.01247	0.8
72.39234	0.2
79.95617	2.4
84.02766	0.2
85.01303	0.2
85.02808	0.3
89.02309	1.0
95.01252	0.3
96.95889	100.0
97.95819	0.5
98.95437	1.0
98.98984	0.8
101.02314	0.4
107.01284	0.3
112.93646	0.2
123.00807	0.2
125.02341	0.5
126.98473	0.8
137.02272	0.2
142.97926	0.2
149.04483	0.7
151.00284	0.3
154.98010	0.3
163.00293	0.2
165.01752	0.3
169.01346	0.8
178.99701	0.3
182.97481	1.9
229.83681	0.3
269.13727	0.3
300.99936	0.4
317.03073	0.6
414.99597	0.3
449.07440	1.0
465.08435	1.3
467.10132	0.5
547.28174	0.2
553.24561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.8
57.03325	3.1
58.00450	1.0
59.01250	16.5
61.98694	3.4
69.03316	1.0
71.01257	13.6
71.04900	1.9
71.56351	0.7
71.56783	0.7
72.01580	0.5
72.99185	1.0
73.02805	2.5
76.27087	0.6
79.95610	0.7
81.03321	0.8
83.01243	1.4
83.04888	2.1
85.02824	3.4
85.06448	1.8
87.00766	1.4
89.02322	9.9
93.95135	0.5
95.01260	1.3
96.95883	2.6
97.02832	1.4
97.06475	0.8
98.03526	0.5
99.00787	0.9
101.02322	11.9
109.06464	2.5
111.04406	1.2
111.07357	0.5
111.08022	3.4
113.02330	5.4
119.03376	2.9
125.02377	2.7
125.03136	0.5
143.03482	1.2
161.04462	5.4
167.10811	0.6
169.01373	1.2
169.12271	1.6
171.10207	1.4
179.05545	2.5
179.10690	0.7
179.14340	1.5
181.12219	0.9
189.16364	0.8
195.13828	12.0
197.11777	13.0
198.12300	0.7
199.13347	0.7
205.12227	1.3
211.13412	1.3
217.00217	1.7
217.15784	0.6
221.15450	6.8
223.13342	3.6
233.15448	1.3
235.16885	0.7
239.16515	2.5
247.20668	1.4
251.16458	0.7
253.09261	44.8
254.09552	1.8
273.18588	1.7
291.19656	28.3
292.20026	2.4
300.99850	1.6
309.20700	100.0
310.21014	8.1
383.24103	0.9
425.16360	0.7
485.31241	0.6
545.28461	2.8
546.28967	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47176	1.2
55.01756	1.9
56.49424	1.3
57.03319	2.9
59.01249	35.5
61.98707	2.0
69.03330	2.1
70.70969	1.6
70.71279	2.4
71.01255	29.8
72.99174	3.1
73.02828	7.6
83.01242	2.1
83.83215	1.3
85.02810	8.6
87.00777	3.0
88.51060	1.2
89.02315	17.9
95.01265	2.9
96.95884	3.6
99.00752	3.6
101.02325	28.9
111.08034	15.5
113.02320	12.9
119.03387	6.7
121.59079	1.3
125.02361	4.4
127.07537	2.1
143.03383	2.0
146.04968	1.5
151.11247	1.5
153.12802	1.2
161.04485	16.2
169.01338	1.9
169.12259	5.7
179.05580	3.7
181.12262	2.5
183.02930	2.3
197.11765	77.3
198.12146	2.8
199.13342	5.2
210.12625	1.4
211.13222	8.2
217.00128	2.9
227.12680	1.8
253.09254	50.3
263.20132	5.8
273.18481	1.6
291.19662	29.2
292.19901	3.4
300.99908	4.4
309.20709	100.0
310.20917	8.2
383.24307	5.1
440.93045	1.5
545.29169	9.8
546.30377	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.2
57.03328	0.9
57.54549	0.3
58.00459	1.3
59.01250	30.0
60.01579	0.6
61.98698	1.5
67.31200	0.4
67.75977	0.4
69.03332	0.6
71.01252	25.0
71.56705	0.3
72.99190	2.1
73.02816	8.8
74.02331	0.8
74.03133	0.4
75.00746	0.7
80.96368	0.3
83.01263	2.3
84.31721	0.4
85.02824	5.8
87.00742	1.4
88.03867	0.4
89.02316	26.2
95.01246	1.5
96.95898	1.9
97.02816	1.5
98.95485	0.4
99.00755	15.7
99.04384	1.1
101.02318	13.7
107.01198	0.5
109.02802	0.5
112.93535	0.4
113.02329	6.3
113.03550	0.4
115.03898	0.6
117.02043	0.3
119.03386	3.9
125.02319	3.0
126.82861	0.4
131.03419	2.3
143.03394	0.4
144.04710	0.4
149.04428	1.9
161.02254	0.4
161.04451	0.9
169.01338	1.8
179.05461	0.5
190.02719	0.5
191.05504	3.4
233.15501	0.5
251.16502	1.5
253.09212	1.5
260.39951	0.4
300.99832	0.9
309.20703	3.3
310.20859	0.6
325.06995	0.7
351.05237	0.9
369.06125	0.6
393.89700	0.4
413.21765	3.0
501.26913	0.5
527.11377	0.5
545.25970	100.0
546.26294	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	545.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69340	0.2
70.41150	0.2
79.95601	2.2
80.96397	0.4
87.94080	0.2
95.01302	0.2
96.95892	100.0
97.95832	0.6
98.98992	0.3
119.32536	0.2
123.00798	0.4
125.02335	0.6
133.02934	0.2
145.02895	0.2
169.01352	1.0
182.97519	0.3
184.81667	0.2
200.98650	0.4
229.79135	0.3
297.04156	0.2
299.05597	0.4
300.99826	0.7
327.05066	1.4
357.06183	0.4
447.09320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03310	0.6
55.01740	1.5
57.03315	2.2
58.00456	1.9
59.01250	24.8
59.62381	0.5
61.98693	2.0
64.31354	0.5
68.99641	0.6
69.03314	2.1
69.62990	1.5
69.63405	2.6
71.01250	25.3
71.04872	0.6
72.99168	2.3
73.02818	6.0
75.00733	1.6
78.95756	1.0
79.95609	0.9
80.02124	0.9
81.03321	0.7
81.79984	0.5
83.01251	2.9
83.04873	0.5
85.02822	8.7
87.00761	3.9
89.02317	15.2
95.01295	1.3
96.95274	0.8
96.95881	11.6
96.96854	1.6
97.02834	2.8
99.00743	2.6
99.04401	0.7
101.02315	12.4
111.00777	2.7
112.93559	0.8
113.02322	7.4
119.03366	1.4
123.00757	0.8
125.02383	3.9
131.03398	7.8
137.09627	0.7
141.01836	1.1
149.04401	1.7
161.04402	1.2
169.01332	2.8
178.59113	0.7
191.05562	2.2
235.17053	6.6
236.07451	0.6
245.01004	0.6
251.16499	2.6
267.16031	0.8
273.00430	0.9
300.99927	1.4
309.14359	0.7
309.20837	1.2
394.36447	0.6
413.21838	1.6
545.25977	100.0
546.26318	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	545.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.1
60.47054	0.1
63.98170	0.1
69.38328	0.2
69.38726	0.7
71.01257	0.1
79.95608	2.2
96.95888	100.0
97.95806	0.3
163.92020	0.1
169.01256	0.2
169.06372	0.1
211.33730	0.1
224.52213	0.1
243.02824	0.2
255.02899	0.3
271.02515	0.7
299.99390	0.2
300.02725	2.0
301.03140	0.2
315.05118	1.6
367.94269	0.1
368.99249	0.2
374.49609	0.1
389.48825	0.1
397.99542	0.4
413.01874	1.0
414.02158	0.1
429.98141	0.2
447.09329	0.9
448.09808	0.1
545.06110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46397	0.1
56.48536	0.2
71.56954	0.2
79.95609	2.4
96.95885	100.0
97.95832	0.3
119.91604	0.2
123.00741	0.3
125.02322	0.5
130.02997	0.2
151.00293	0.6
166.99872	0.2
169.01344	0.6
172.78806	0.2
178.99751	0.3
184.97508	0.2
200.99742	0.2
220.89478	0.2
243.03218	0.2
255.03117	0.2
271.02478	0.7
286.93536	0.2
287.65063	0.2
300.02713	0.9
301.03284	0.8
329.03012	0.3
383.05951	0.2
447.09198	1.4
532.14020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.01249	16.3
60.01572	0.9
61.98712	4.2
71.01257	4.3
71.57170	1.2
72.99194	0.8
73.02817	1.1
75.00755	0.7
79.95604	2.6
82.70646	0.7
85.02834	1.4
87.00721	0.7
89.02324	3.6
95.08799	0.7
96.95872	5.3
101.02328	3.7
111.57491	0.7
113.02324	1.9
117.07053	0.8
118.08425	0.7
119.03371	1.5
123.00757	2.0
125.02310	3.5
125.09660	0.7
135.08060	3.6
143.92482	0.8
145.02888	1.2
147.29178	0.7
161.04459	1.8
162.64084	0.9
169.01329	3.9
171.10165	7.3
173.02405	0.9
183.04390	1.4
188.68951	0.8
189.01839	1.4
201.01849	1.9
211.03943	1.4
214.02699	1.0
216.00604	0.8
217.01352	1.0
227.03419	2.9
229.01274	4.6
230.02072	1.0
230.99324	1.9
232.00021	1.7
239.03362	1.1
240.04303	1.0
245.00919	1.7
252.04131	1.2
252.81436	0.8
253.05112	0.8
253.09213	1.6
255.03006	3.8
257.00888	1.1
265.05008	0.9
266.05707	1.0
267.02979	1.1
268.03772	1.1
269.00876	2.7
269.04004	0.7
270.98871	1.2
271.02469	1.0
271.99554	0.9
273.00418	2.5
277.03580	2.0
280.03812	3.6
281.00986	1.3
281.04135	1.3
282.01694	2.0
283.02487	5.2
283.99536	1.0
285.00375	1.1
289.18112	5.0
295.02478	2.7
296.03229	1.4
297.00534	1.1
299.01904	2.3
299.99219	0.9
300.99969	2.1
304.02277	0.9
305.03091	10.6
306.03336	0.9
307.19287	3.5
311.01947	2.4
315.05048	1.2
323.02090	1.1
323.99249	1.2
324.02762	1.4
324.99838	1.3
327.01526	5.3
359.04025	3.2
393.08548	0.9
405.13226	1.3
408.11865	0.9
411.10373	1.1
411.15103	1.6
421.12912	1.1
423.14508	3.1
439.09735	1.9
439.14713	1.3
467.13403	3.9
483.13327	1.4
499.16129	2.0
511.12454	7.9
512.12958	1.2
542.30090	0.9
543.15057	100.0
543.32642	5.3
544.15332	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	541.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73053	0.3
57.03325	0.6
58.00470	0.5
59.01249	100.0
60.01589	1.1
61.98716	0.5
70.92500	0.3
71.01250	10.4
72.99161	0.6
73.02842	0.6
74.23566	0.2
79.10941	0.3
85.02832	1.7
87.00770	0.9
89.02316	17.2
95.01266	0.8
96.95914	0.6
101.02320	6.4
113.02329	5.3
113.03076	0.5
119.03384	6.8
121.02890	0.3
123.00751	0.4
125.02390	0.8
131.03427	1.1
143.03349	1.7
149.04491	0.9
161.04462	1.8
169.01436	0.8
179.05516	5.8
179.06949	0.4
225.11273	0.3
240.87296	0.3
275.06540	0.3
300.99890	0.4
411.06729	0.3
448.99197	0.3
497.31015	0.4
503.32559	1.0
505.33792	0.6
541.22705	0.5
541.30646	3.1
542.32001	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	541.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03317	0.5
57.65670	0.3
58.00468	0.9
59.01250	100.0
60.01593	0.9
61.98698	1.9
67.79909	0.4
69.34943	2.9
71.01254	13.5
72.99193	0.5
73.02821	0.8
75.00738	0.4
79.95609	3.9
80.96402	0.6
83.01279	0.4
83.04867	0.4
85.02821	2.2
87.00761	1.3
89.02316	21.4
90.02696	0.4
95.01274	1.0
96.95894	2.1
97.00163	0.3
98.20494	0.5
101.02320	8.1
113.02333	6.0
119.03386	8.6
119.93092	0.3
120.99551	0.4
123.00804	1.3
125.02357	1.3
131.03403	0.9
137.05995	0.4
143.03386	2.2
149.04434	0.9
151.11174	0.8
161.04492	2.6
166.99861	0.4
169.01393	1.3
179.05521	5.7
179.06943	0.5
229.01373	0.4
274.16989	0.5
275.25076	0.4
300.99997	1.2
426.71298	0.4
481.27362	0.9
505.34009	0.5
541.14417	0.7
541.31793	6.0
542.31616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.3
58.00447	0.4
59.01250	100.0
60.01596	0.8
61.98726	0.3
69.67508	0.3
70.90321	0.9
71.01250	10.3
72.48489	0.4
72.99178	0.6
73.02821	0.5
76.30957	0.3
82.18224	0.3
83.01243	0.4
85.02842	1.0
87.00757	0.6
89.02313	16.3
90.02629	0.4
95.01280	0.8
96.95892	0.7
101.02318	5.7
113.02328	4.9
119.03385	5.9
121.02802	0.4
123.00792	0.5
125.02339	0.7
131.03415	0.8
143.03421	1.4
149.04478	0.6
149.05621	0.4
161.04393	1.7
169.01372	0.6
179.05507	4.7
191.03505	0.5
192.12486	0.3
259.80991	0.4
302.00488	0.3
345.74738	0.4
379.17538	0.4
503.32370	1.0
505.33560	0.4
541.31042	2.7
542.31104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
59.01249	32.8
60.84279	1.2
61.98708	5.9
63.96107	1.4
71.01252	14.0
71.56984	2.0
71.59573	1.1
72.99175	1.6
73.02805	2.0
76.02665	1.2
79.01749	1.1
79.95608	8.2
83.01255	3.1
85.02820	5.8
87.00774	2.1
89.02303	8.7
93.73003	1.1
95.01273	3.4
95.67944	1.2
96.95872	6.6
97.50632	1.2
97.51281	1.1
97.83566	1.0
99.00751	2.2
99.04412	1.6
101.02323	8.2
107.01261	3.5
111.00740	1.6
113.02309	5.6
119.03386	3.0
122.02364	3.2
123.00745	14.8
125.02348	14.8
131.03432	1.2
136.98634	1.4
139.00276	5.1
140.01056	2.8
141.01845	2.8
143.03435	1.2
151.00262	7.6
152.00510	1.3
161.04491	2.2
166.99763	2.2
168.00549	3.5
169.01343	21.7
170.01723	1.3
177.12825	1.1
179.05472	2.3
199.43456	1.4
208.13487	1.2
227.16466	10.0
243.83913	1.3
288.71567	1.4
299.99377	1.6
300.99963	4.3
308.95062	1.2
309.08218	1.2
371.20575	4.1
389.21790	42.0
390.22235	4.8
452.03192	1.6
481.26813	1.8
503.32602	1.7
523.21997	4.5
541.22925	100.0
541.30933	14.5
542.23120	17.5
542.31055	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	541.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
59.01249	32.8
60.84279	1.2
61.98708	5.9
63.96107	1.4
71.01252	14.0
71.56984	2.0
71.59573	1.1
72.99175	1.6
73.02805	2.0
76.02665	1.2
79.01749	1.1
79.95608	8.2
83.01255	3.1
85.02820	5.8
87.00774	2.1
89.02303	8.7
93.73003	1.1
95.01273	3.4
95.67944	1.2
96.95872	6.6
97.50632	1.2
97.51281	1.1
97.83566	1.0
99.00751	2.2
99.04412	1.6
101.02323	8.2
107.01261	3.5
111.00740	1.6
113.02309	5.6
119.03386	3.0
122.02364	3.2
123.00745	14.8
125.02348	14.8
131.03432	1.2
136.98634	1.4
139.00276	5.1
140.01056	2.8
141.01845	2.8
143.03435	1.2
151.00262	7.6
152.00510	1.3
161.04491	2.2
166.99763	2.2
168.00549	3.5
169.01343	21.7
170.01723	1.3
177.12825	1.1
179.05472	2.3
199.43456	1.4
208.13487	1.2
227.16466	10.0
243.83913	1.3
288.71567	1.4
299.99377	1.6
300.99963	4.3
308.95062	1.2
309.08218	1.2
371.20575	4.1
389.21790	42.0
390.22235	4.8
452.03192	1.6
481.26813	1.8
503.32602	1.7
523.21997	4.5
541.22925	100.0
541.30933	14.5
542.23120	17.5
542.31055	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	541.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38525	0.5
57.03315	1.5
58.72490	0.5
59.01250	12.4
61.98672	0.5
62.69604	0.6
65.00187	0.7
65.64226	0.6
67.01752	1.4
69.03311	1.7
71.01251	5.0
73.02819	2.2
79.01722	0.7
79.95586	1.9
81.03319	1.1
83.01243	1.7
85.02831	5.9
89.02302	1.3
89.59763	0.5
93.03297	1.0
95.01266	6.8
96.95882	1.3
97.02817	1.2
99.00750	0.9
101.02306	1.7
107.01265	2.0
108.02052	52.5
109.02843	36.8
110.03166	1.2
111.00726	1.1
112.93578	0.6
113.02322	2.9
115.19057	0.6
117.03277	0.5
121.02813	1.0
123.00764	13.0
123.04436	1.3
125.02341	13.4
126.02678	0.7
133.02795	0.8
135.04445	0.7
136.98730	0.7
139.00253	3.3
139.03839	0.5
139.11176	5.3
140.01025	1.9
141.01874	1.2
145.02888	0.7
151.00275	0.7
151.03931	0.8
152.01057	63.8
153.01849	24.7
154.02173	1.0
161.02347	0.7
163.00249	0.7
163.03893	1.8
164.72789	0.5
166.99747	6.3
168.00508	1.8
169.01334	16.5
170.01587	0.7
173.02405	0.8
177.01950	0.7
181.12225	2.6
183.02898	1.1
183.10199	7.4
187.00334	0.7
189.01836	0.8
193.05038	0.7
195.02953	0.9
201.01880	1.0
214.99803	0.6
217.01251	0.7
225.11273	2.7
226.99812	0.7
229.01373	1.0
241.24693	0.5
243.12302	1.7
245.00896	0.6
247.02448	0.7
260.22781	0.6
261.00562	0.6
270.98929	1.3
271.86234	0.6
273.00391	0.8
275.02045	0.7
285.00293	1.6
285.03909	0.7
290.00629	1.0
297.04141	0.7
298.98288	1.3
299.99142	1.4
300.99832	5.2
333.02554	0.8
339.01370	0.6
351.03799	0.9
405.44476	0.6
450.99390	5.1
479.19138	3.0
481.17062	5.2
497.20261	6.2
523.18146	3.2
526.14624	0.7
541.19183	100.0
542.19568	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	540.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.3
61.98703	20.9
71.01258	3.1
71.06100	1.1
71.06440	0.7
73.02810	0.8
78.59761	0.5
79.95605	0.7
80.96384	1.1
83.51804	0.6
85.02799	2.1
89.02320	2.1
95.01283	1.3
97.02865	0.6
101.02309	1.1
107.01254	2.1
107.95301	0.6
108.02029	2.2
109.02825	1.8
113.02332	1.6
115.00232	0.9
118.84438	0.6
119.03366	1.0
123.00757	1.7
125.02348	4.6
139.00227	0.8
145.02806	1.0
148.01569	0.8
151.00241	1.7
151.03889	0.8
152.00993	2.1
153.01852	1.4
166.99728	0.9
167.04895	0.6
169.01318	6.2
170.01649	0.7
181.04926	1.0
182.05252	0.8
191.03372	0.7
197.07828	0.8
199.03960	1.4
201.01845	1.0
211.09695	2.1
211.13326	2.6
212.09995	1.3
212.13544	0.7
213.10165	0.9
215.03383	0.6
217.01300	0.9
227.03592	1.2
243.02943	5.8
254.02158	1.9
255.02979	13.7
256.03302	1.3
270.99423	1.5
271.02466	31.5
272.02997	3.0
275.02127	0.7
299.01920	9.6
300.02725	100.0
300.99780	2.5
301.03131	9.4
315.05084	69.0
316.05444	6.9
378.15552	1.0
462.08228	1.4
468.50400	0.6
477.10352	76.7
478.10748	10.1
539.34210	1.7
540.21100	1.8
540.34973	1.2
541.18561	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	539.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03325	4.9
58.00458	1.1
59.01253	12.2
60.01567	0.6
61.98713	0.6
69.03332	2.3
69.28774	4.4
69.29168	0.8
71.01253	14.3
71.04881	1.0
71.17602	0.4
72.99178	1.4
73.02821	5.2
75.00741	0.9
79.95596	0.6
80.96374	0.5
81.03322	0.8
83.01269	3.4
83.01683	0.6
83.04879	0.4
85.02827	7.7
87.00748	1.8
87.04419	2.3
89.02321	3.9
95.01257	2.7
96.95872	1.0
97.02827	1.7
97.06453	0.9
99.00750	1.9
101.01695	0.7
101.02330	12.8
102.02671	0.5
107.01266	1.0
109.06451	0.5
111.00756	3.6
111.04408	0.5
111.08073	0.9
113.02336	5.1
115.07545	1.4
119.03400	1.1
120.99521	0.7
121.02800	0.9
123.00765	3.7
123.08020	0.9
124.01538	1.6
125.02341	36.4
126.01858	0.7
126.02692	8.9
127.02779	4.9
129.01825	1.3
129.09091	1.6
135.04390	0.5
137.02341	0.9
137.09637	0.7
139.00258	1.6
140.01013	0.6
140.48639	0.4
141.01863	0.7
141.09106	0.6
141.12686	0.8
149.02351	1.5
149.99452	1.1
150.03133	1.1
151.00179	0.8
152.07028	0.5
153.09106	1.3
157.12280	3.3
159.02870	1.0
161.02399	0.6
161.04430	1.4
163.00269	0.7
163.03899	0.6
164.04607	0.7
165.05479	1.0
166.99738	1.1
168.00529	2.1
169.01343	46.9
169.12169	0.5
170.01691	16.4
171.01813	13.6
171.13890	0.8
173.02376	0.5
173.11725	1.2
183.13806	0.6
187.13300	4.8
190.02544	0.7
191.03366	0.6
201.14876	1.5
217.01399	0.6
217.14406	2.7
245.00943	0.7
247.02388	0.7
255.30321	0.5
270.98831	0.6
271.22842	0.5
273.00311	0.7
275.02057	0.5
299.99344	0.5
300.99927	2.8
302.00266	0.9
343.00922	0.5
356.96024	0.6
359.27945	1.0
364.31750	0.5
377.29083	16.8
378.29559	1.9
461.94919	0.5
479.24930	0.6
491.18369	0.6
521.33435	0.9
539.13837	4.4
539.21057	3.8
539.34351	100.0
540.21765	0.8
540.34698	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	539.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58096	0.1
53.47693	0.2
57.03328	0.3
59.01249	100.0
60.01595	0.9
61.98704	0.4
66.95512	0.1
67.45543	0.2
71.01254	2.6
71.05264	0.3
71.05602	0.2
73.02827	0.9
79.95607	0.5
80.66893	0.2
83.01262	0.4
85.02811	1.3
87.00786	0.2
91.38524	0.2
96.95903	0.3
99.00764	0.5
101.02302	2.1
106.69717	0.2
113.02335	1.2
125.02290	0.2
143.03427	0.2
159.02945	0.5
161.04453	2.7
174.99197	0.3
217.00304	0.7
289.51666	0.2
374.99530	0.6
395.62756	0.2
400.35901	0.2
470.30429	0.2
479.30087	4.4
480.30533	0.7
539.30780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99220	0.5
59.01249	17.4
60.01567	0.6
61.98704	11.8
69.03310	0.6
71.01256	7.3
71.56491	1.0
72.99164	0.6
73.02806	1.7
79.95610	0.9
80.96397	0.5
83.01265	1.0
83.04908	1.0
85.02813	2.1
86.33852	0.5
87.00755	0.6
89.02310	4.4
95.01257	1.0
96.95878	1.0
97.02843	1.1
99.00732	0.9
101.02312	5.0
107.01272	1.5
111.00698	0.5
112.93580	0.6
113.02341	3.4
119.03368	1.5
123.00761	1.6
125.02339	7.6
126.02690	0.8
131.03398	0.5
134.76917	0.4
135.04453	0.5
137.02325	0.7
139.03902	2.7
139.11244	0.6
140.01128	0.6
143.03415	0.6
149.02345	3.1
151.07559	1.0
155.10741	0.5
161.02385	0.6
161.04474	1.4
163.03908	0.6
164.04704	1.1
166.06297	0.5
166.99782	0.9
167.10632	0.6
169.01320	11.0
170.01755	0.6
175.03954	0.5
179.05560	0.7
181.05025	0.6
181.08542	0.6
181.12221	0.6
182.05681	0.6
183.13826	5.1
193.12239	1.0
196.07320	1.0
197.08118	0.7
201.01974	0.7
211.02344	0.7
211.13333	100.0
211.43677	0.5
212.13655	6.4
225.11282	0.5
229.01526	0.5
235.08171	1.1
243.12378	0.6
247.02510	0.7
248.97699	0.5
253.09253	11.2
254.09543	0.7
271.04706	0.8
273.00473	1.1
298.98227	0.7
300.99823	1.8
313.05615	2.7
357.13376	1.0
374.99448	0.8
377.28674	0.5
387.16248	0.6
389.01285	0.5
447.22318	8.6
448.22546	0.7
479.25418	0.8
479.31583	2.9
495.29538	0.7
539.16266	0.9
539.22095	2.0
539.29504	1.6
539.35626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.8
57.03311	1.5
59.00953	1.0
59.01250	18.2
65.00170	1.0
70.70517	2.1
70.99474	1.3
71.01249	18.5
72.99166	1.7
73.02820	8.0
75.35024	0.6
79.95588	1.0
80.96423	0.9
83.01265	5.9
85.02817	11.5
85.99961	1.4
87.00744	2.5
89.02320	2.1
93.03322	2.2
95.01275	4.8
96.95879	0.8
97.02836	1.1
98.98985	6.5
99.00762	3.4
101.02323	16.8
107.01247	1.1
109.27973	0.7
111.00723	2.1
112.93626	1.2
113.02337	5.7
117.03268	0.8
121.02850	5.3
122.03634	7.2
123.00774	6.6
125.02341	4.7
126.98476	4.2
132.02072	1.6
133.02847	9.9
134.03568	1.3
135.04361	1.0
136.01511	1.2
137.02327	1.4
137.78011	0.7
139.00258	1.2
141.01874	1.2
145.02824	1.6
147.04457	1.2
149.02341	40.4
149.05946	2.6
150.03133	53.6
151.03455	2.1
154.97928	1.4
161.02361	1.6
161.04475	1.1
164.04678	8.7
165.05484	39.4
166.06284	8.4
166.99768	2.3
167.07007	2.3
169.01314	4.0
173.02361	0.7
177.01799	1.1
180.04192	3.3
181.08647	7.8
182.97498	5.1
183.97736	1.2
189.01810	0.9
191.03294	1.3
195.06554	12.9
196.06790	0.9
198.97002	3.7
199.97534	0.9
200.98569	8.1
201.01732	1.0
201.98859	1.5
202.98097	0.9
208.56856	0.7
216.00569	1.2
217.01341	1.7
229.01335	1.4
243.99614	0.9
245.00844	1.3
257.01047	1.0
270.98859	2.4
271.99304	1.4
273.00330	1.7
275.01929	1.1
283.09570	1.3
285.10962	0.7
298.98544	1.1
299.98788	1.7
300.99866	11.2
302.00201	3.3
303.00940	1.2
314.11563	8.7
315.12241	2.1
329.13965	17.4
330.14313	2.4
343.13968	13.4
344.14114	1.5
351.47281	1.0
357.15549	1.6
377.12491	0.9
467.51501	0.9
491.19205	100.0
492.19604	12.2
539.21277	15.7
540.21716	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.8
56.16543	0.6
57.03327	1.1
59.01253	21.8
65.00230	1.5
67.01782	0.9
69.03334	0.8
70.99483	1.4
71.01254	20.2
72.99200	1.7
73.02845	4.4
75.00819	0.8
79.95618	0.9
81.03305	0.7
83.01261	4.5
85.02821	8.2
87.00736	1.2
87.70409	0.8
89.01492	0.8
89.02319	15.3
89.02813	1.2
93.03332	4.0
95.01283	4.5
97.02827	1.0
98.19786	2.3
98.98975	8.6
99.00779	2.1
100.98605	1.1
101.02321	12.8
101.02900	0.9
107.01321	0.7
111.00740	1.1
113.02326	7.4
113.02973	0.9
115.03683	0.8
119.03364	4.8
121.02837	6.8
122.03636	13.4
123.00784	8.5
125.02358	6.3
126.02650	1.2
126.98511	5.4
127.98882	1.0
128.98080	0.8
131.03445	1.1
132.02139	1.3
133.02863	5.6
134.03610	1.5
134.08968	0.7
135.04482	1.5
137.02422	1.0
141.01880	1.4
143.03416	0.9
145.02841	2.0
147.04466	1.2
149.02353	31.1
149.05980	1.5
150.03137	94.3
151.03448	4.6
154.98018	2.2
161.02333	2.3
161.04488	1.7
162.03149	3.9
164.04706	6.4
165.05487	100.0
166.06122	8.1
166.99759	4.4
167.07013	1.0
169.01357	8.3
170.01718	0.9
170.97627	1.0
177.01881	2.0
177.05489	3.0
179.05518	2.3
180.04175	6.6
181.07362	0.7
181.08665	5.5
182.97516	9.7
183.02855	1.4
183.97792	1.2
184.97145	1.3
187.00258	1.1
195.06564	44.0
196.06900	2.6
198.96997	4.1
199.97554	1.0
200.97037	0.7
200.98563	18.0
201.01756	1.4
201.98839	4.4
202.98126	2.1
206.04427	0.8
214.99686	1.3
216.00552	1.0
217.01248	1.5
218.01802	1.3
219.02913	0.8
229.01346	2.0
230.01622	0.9
245.00726	1.1
247.02312	0.8
257.00696	0.8
270.98724	3.0
271.99133	1.0
274.01010	0.9
275.01846	2.7
277.03180	0.9
283.09860	1.0
298.98203	2.7
299.98895	2.5
300.99847	16.1
302.00229	6.0
303.00391	1.4
314.11584	3.4
315.12231	1.7
321.51404	0.7
329.13913	8.3
343.13943	14.9
344.14313	1.2
349.01727	1.0
467.50684	0.8
469.01382	1.3
491.19220	83.0
492.12915	0.9
492.19528	12.2
506.88315	0.8
539.21246	8.5
540.21362	1.2
546.71777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.3
57.03321	6.0
58.00439	1.8
59.01251	90.0
60.01554	1.5
61.98693	9.0
69.03309	1.6
70.68792	4.0
71.01259	54.0
71.01654	2.7
72.99168	3.1
73.02818	13.6
75.00754	3.6
79.95586	2.0
83.01251	5.8
85.02821	21.2
87.00729	2.9
88.69415	1.6
88.98690	2.4
89.02316	25.2
95.01253	5.5
96.95887	3.6
97.02835	2.8
99.00754	5.7
101.02328	36.5
104.21594	1.6
107.01255	1.9
111.00728	2.6
113.02325	19.2
119.03394	9.6
123.00769	4.6
125.02332	11.5
129.01793	1.5
131.03355	3.1
132.35909	1.5
135.04443	1.4
142.78815	1.5
149.02367	2.1
157.12294	2.7
159.02905	3.3
161.04472	14.4
161.05693	2.3
166.99704	1.6
169.01338	16.7
179.05499	3.0
190.02565	1.8
214.15074	1.5
243.19656	9.5
252.79762	1.8
253.37160	1.4
271.19028	2.6
300.99875	8.2
302.00433	1.5
315.25449	9.7
319.17523	8.4
357.15518	4.6
357.26221	3.2
361.52689	1.8
375.22711	2.4
375.27505	41.4
376.27725	5.5
405.24966	7.3
406.25479	1.9
438.02924	1.7
459.29568	5.6
477.30676	100.0
478.31219	14.8
537.32471	38.0
538.31158	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	537.3067
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
56.51305	0.2
59.01249	100.0
60.01590	1.0
60.27639	0.2
70.62616	0.5
70.63010	0.6
71.01247	2.7
73.02827	0.9
83.01239	0.4
85.02837	1.1
85.96058	0.3
89.02314	1.8
91.79578	0.2
95.01257	0.4
99.00757	0.4
101.02335	2.3
113.02308	1.2
119.03404	0.7
133.07332	0.2
133.80147	0.2
143.03383	0.3
154.65245	0.2
157.94159	0.3
161.04480	2.0
169.01454	0.3
179.05542	0.3
299.81763	0.3
301.00082	0.4
477.28534	3.2
478.28906	0.4
538.70752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98694	21.9
69.37114	34.5
69.37536	17.3
71.01252	16.2
73.02818	9.9
75.00744	12.0
78.04131	5.0
78.95798	12.2
79.95596	11.7
94.27175	5.0
96.95883	22.9
101.02320	18.8
112.93599	12.5
113.02380	7.4
123.00723	16.2
125.02335	21.9
135.07913	5.9
152.91684	5.9
152.99541	5.6
161.04504	6.5
166.99759	11.4
169.01306	33.2
273.00540	6.1
299.99207	7.1
300.99908	37.2
302.00183	8.4
537.27179	17.0
537.34918	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	537.1976
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
55.01755	0.3
56.58769	0.2
57.03320	0.3
59.00991	0.3
59.01250	4.3
59.34012	0.2
65.00178	0.8
67.01762	0.8
68.99704	0.3
69.03319	0.7
69.23804	3.0
71.01258	3.2
72.99181	0.7
75.01486	0.3
79.01759	1.2
83.01263	0.6
84.01859	0.3
85.02842	1.3
87.00761	0.5
87.42212	0.2
89.02324	1.9
89.02796	0.4
95.01259	2.6
96.20737	0.2
96.95868	0.4
97.02849	0.6
98.19759	0.5
99.00732	0.3
101.02330	1.6
107.01272	4.6
109.02818	0.5
109.99975	0.6
111.00754	2.7
113.02338	1.4
117.03341	0.3
119.03397	0.6
119.04863	0.4
121.02859	0.4
123.00770	15.6
124.01563	0.7
125.02338	20.5
126.02667	0.8
127.00243	0.8
133.02873	0.4
135.04382	0.3
136.01587	0.3
136.05190	0.6
136.98773	1.8
137.02318	0.5
139.00275	4.9
139.03906	0.4
140.01082	3.7
141.01840	2.7
145.02870	0.6
147.04417	0.5
148.01625	0.4
149.02316	0.6
151.00281	10.3
151.03888	0.8
151.07494	0.4
152.00632	0.5
152.08371	0.5
153.01761	0.8
153.09082	0.9
154.99805	0.4
160.01564	0.3
161.02361	0.9
163.00261	0.6
163.03915	0.7
163.11244	0.4
164.04697	0.3
165.01810	0.6
166.99767	1.8
167.03441	0.4
168.00540	6.2
169.01338	32.3
170.01648	1.0
173.02347	0.6
173.44318	0.2
175.00362	0.4
175.03946	0.3
176.00861	0.3
177.01814	0.8
177.03989	0.6
178.99832	0.3
179.03442	0.6
181.04938	0.3
187.00336	0.4
187.03870	0.3
188.00949	0.3
189.01865	1.0
190.02675	2.0
191.03445	0.6
193.01370	0.5
196.12190	0.3
199.00189	0.3
200.98448	0.3
201.01898	0.6
202.99686	0.3
204.00554	0.5
205.01352	0.9
205.05025	2.7
205.12248	1.6
208.02408	0.4
211.02414	7.6
211.04355	0.4
212.02719	0.6
214.99759	1.2
216.00571	1.4
217.01285	1.2
223.06017	0.6
229.01343	0.7
231.02954	0.3
232.00172	0.4
233.00821	0.5
235.02237	0.3
241.03519	0.6
242.99281	0.6
244.00223	0.3
245.00833	0.8
247.02286	0.5
249.04073	0.3
257.72943	0.3
258.98926	0.3
259.99524	0.4
261.00409	0.3
270.98816	0.7
271.01855	0.5
271.04614	7.4
272.04971	0.5
273.00519	0.7
275.01929	1.0
276.02325	0.3
277.03595	1.4
289.00070	0.4
297.06311	0.3
298.98355	0.4
299.99017	0.9
300.99966	2.3
302.00217	0.4
303.01395	2.8
304.01852	0.4
313.05667	2.3
319.00888	0.5
321.02530	1.0
331.00800	0.3
331.06720	0.7
332.97104	1.2
343.09396	0.5
345.13376	0.6
347.00388	4.0
385.11365	1.9
402.10132	0.4
422.08234	0.3
479.08069	0.5
505.06387	1.2
519.10492	0.3
519.18866	0.4
537.19745	100.0
538.12024	0.5
538.20038	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.2
67.01751	0.3
68.72867	0.1
69.03324	1.7
70.04738	0.5
71.01257	1.0
75.96910	0.1
79.01785	0.4
81.03316	0.6
83.01248	0.4
85.02837	0.3
88.98660	0.1
89.02316	0.6
95.01246	0.7
96.95898	0.1
97.02821	1.4
98.68547	0.1
101.02312	0.6
107.01260	0.4
111.00741	0.2
113.02318	0.3
114.19154	0.1
119.03410	0.2
120.27529	0.1
121.02793	0.2
123.00793	1.0
124.01546	1.5
125.02335	57.4
126.02683	1.7
131.15005	0.1
137.02351	0.2
139.00247	0.2
149.02345	0.5
149.99475	1.1
151.00220	0.3
161.04498	0.1
164.04689	0.3
166.99788	0.3
168.00558	2.4
169.01334	100.0
170.01678	3.8
173.02438	0.1
175.00288	0.3
175.03777	0.1
176.00964	0.1
183.02934	0.2
190.02687	0.7
191.03278	0.2
193.01221	0.1
205.04959	0.6
208.03578	0.1
211.02446	0.2
216.00546	0.1
217.01418	0.3
223.06091	0.3
245.00906	0.1
271.04541	0.2
273.00360	0.9
274.00818	0.1
297.75531	0.2
299.99139	0.2
300.99875	0.8
305.02902	0.8
306.03442	0.1
313.05728	0.3
315.36273	0.1
331.06705	0.8
332.06702	0.1
342.11047	0.2
357.12952	0.3
363.20279	0.2
364.20389	0.1
367.10223	0.2
375.19995	0.2
375.27463	0.3
500.61914	0.1
519.10968	0.2
536.31677	0.2
537.12537	3.5
537.19763	0.6
537.32629	1.6
538.12787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98188	0.6
57.03302	0.9
58.00439	0.7
59.01250	9.5
61.98699	1.2
65.00181	1.6
67.01743	2.2
68.99675	0.7
69.03318	1.9
71.01254	10.4
71.55897	0.7
71.56300	1.0
72.99176	2.4
73.02824	1.4
74.29453	0.6
75.00753	1.1
79.01769	1.8
81.03321	1.4
83.01251	2.2
85.02819	4.0
87.00748	1.2
89.02314	6.4
93.03323	0.8
95.01250	5.7
96.95871	1.3
96.99207	0.7
97.02830	2.4
97.74303	0.7
99.00742	1.0
101.02319	3.8
107.01270	19.2
109.02843	3.8
109.99942	1.0
111.00771	7.7
113.02323	4.2
117.03314	1.1
118.98006	1.0
119.01248	0.9
119.03372	0.8
120.99537	0.7
121.02837	3.6
123.00770	23.9
123.04389	1.1
124.01573	3.8
125.02335	87.4
126.02657	2.7
127.00269	2.2
132.02028	1.1
133.02873	1.2
133.04010	0.6
134.03667	1.0
135.04390	1.9
136.71254	0.7
136.98692	3.3
137.02321	4.4
138.03120	0.8
139.00267	8.7
139.03897	2.3
140.01067	9.1
140.98193	0.6
141.01874	3.3
143.01247	0.8
145.02876	3.0
147.04451	1.5
147.86447	0.6
148.01555	2.5
149.02341	18.4
150.03046	1.2
151.00273	9.6
152.00807	0.6
153.01851	1.8
155.03395	1.6
159.04417	1.3
160.01604	2.4
161.02303	3.6
161.04495	0.7
162.03142	1.4
163.00269	1.1
163.03860	4.6
164.04716	14.4
165.01869	5.0
165.05394	2.0
166.02638	1.1
166.99854	3.9
167.03406	5.7
168.00546	17.8
169.01334	100.0
170.01689	3.9
172.01595	0.8
172.05246	0.6
173.02365	3.2
173.05814	0.7
174.03062	1.0
175.00264	2.5
176.01045	2.2
177.01848	2.2
177.05504	2.2
179.03380	1.4
179.07047	2.9
181.01335	4.0
182.02081	1.8
183.02930	5.4
187.00279	0.9
187.03783	0.7
188.01096	1.1
188.04649	1.1
189.01860	2.4
190.02640	8.0
191.03401	6.4
192.03990	0.7
193.01355	15.0
201.01913	1.6
202.99759	1.0
203.07057	0.8
204.00594	2.6
204.04161	1.1
205.01385	4.4
205.04997	8.0
206.02045	0.9
206.05696	9.0
206.99345	0.9
207.02924	2.9
207.06462	0.7
208.03673	3.3
209.04428	1.5
211.02414	80.0
212.02728	3.9
214.99825	1.5
216.00531	6.6
217.01440	4.9
221.08130	8.3
223.06053	17.5
224.06429	1.0
225.03970	0.9
229.01329	1.7
230.99362	1.1
232.00171	2.9
233.00833	2.3
235.02464	1.7
237.07710	2.0
241.05161	1.5
242.99298	1.6
244.00041	1.1
245.00999	1.9
247.02429	1.3
249.03989	1.4
250.01077	0.8
250.04768	2.8
250.37050	0.7
251.05524	1.5
255.06773	0.8
258.98840	1.3
259.99612	1.7
261.00394	1.3
262.50638	0.7
265.07159	10.9
270.98883	1.7
271.04593	8.6
273.00531	0.7
275.02014	2.2
277.03537	11.5
278.03873	1.8
289.00204	0.8
295.08328	2.5
298.98193	0.7
300.99777	3.9
302.00134	0.8
303.01392	8.3
311.07910	2.4
313.05670	4.4
313.10797	1.2
319.00992	2.1
321.02551	7.3
322.02960	0.8
325.09320	2.6
326.11636	1.4
331.06671	2.8
341.14063	1.6
344.12646	5.0
347.00400	24.1
348.00925	1.7
353.08771	2.1
359.14960	11.2
360.15411	1.4
367.10217	1.5
375.27429	1.6
393.15570	0.7
422.08441	0.9
477.10498	3.3
491.19180	20.9
492.19751	2.9
493.16293	2.1
519.11273	2.1
537.12579	77.8
537.19183	3.5
537.32483	6.6
538.12817	12.4
538.20221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86096	0.3
55.70555	0.4
59.01241	1.4
64.22789	0.3
65.00195	0.4
67.01749	0.4
69.03320	1.4
71.01247	1.5
72.99174	0.5
75.23438	0.3
76.17982	0.3
81.03330	0.8
83.01250	0.5
86.87706	0.4
88.98650	0.4
89.02318	1.0
93.03320	0.4
93.97656	0.3
95.01257	1.9
97.02821	1.9
98.98993	0.4
101.02299	0.5
107.01279	3.1
109.02816	0.8
111.00781	1.3
112.21105	0.3
121.02847	1.2
121.11579	0.4
123.00765	4.3
124.01556	4.2
125.02328	74.7
126.02637	2.3
127.00165	0.3
127.19362	0.3
136.98636	0.5
137.02325	1.1
138.96826	0.3
139.00273	1.5
140.01053	1.2
141.01828	0.7
147.04424	0.7
149.02353	6.2
151.00301	1.1
155.03392	0.5
161.02344	0.7
163.03922	0.7
164.04689	3.5
165.01849	0.8
166.99785	2.0
167.03459	0.7
168.00533	7.8
169.01328	100.0
170.01669	3.2
173.02397	0.3
175.00360	0.6
175.03860	0.4
176.01022	0.4
177.01895	0.5
179.07082	0.4
181.01250	0.7
183.02815	0.9
187.00455	0.4
190.02640	2.0
191.03391	1.1
193.01343	1.6
200.98544	0.5
205.05022	1.9
206.05753	0.4
211.02411	7.1
212.02657	0.4
214.99826	0.4
216.00500	0.5
217.01372	0.6
223.06075	4.7
224.06432	0.3
229.57785	0.4
235.02650	0.4
245.00882	0.8
265.07242	0.4
270.98788	0.4
271.04642	0.6
273.00418	0.5
275.01984	0.8
285.04245	0.4
287.07794	0.5
288.30399	0.3
295.08212	0.5
298.98276	0.7
299.99084	0.6
300.99927	2.0
302.00250	0.4
303.01349	1.7
313.05826	1.8
326.59958	0.4
330.10867	0.4
331.06671	35.7
332.06924	2.9
342.11209	0.5
345.13318	0.8
347.00439	0.9
354.69284	0.4
357.13361	0.8
491.19177	0.6
492.66370	0.4
537.12451	34.1
537.18970	1.9
538.05438	0.6
538.12817	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	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.0
60.99176	14.9
63.26034	0.4
67.25280	0.4
69.44851	2.5
69.45276	1.1
71.01244	1.4
73.02821	0.5
85.02823	0.7
86.27718	0.5
88.98677	100.0
89.02279	0.9
89.99010	1.0
98.20534	0.6
101.02330	1.3
103.71136	0.4
107.72417	0.5
113.02302	0.8
119.03384	0.5
125.91647	0.5
169.01309	0.6
183.87605	0.5
255.02921	3.1
271.02454	5.4
272.02951	0.6
299.01883	0.9
300.02731	20.0
300.99954	1.1
301.03171	1.9
315.05127	20.0
316.05450	2.1
332.93027	0.6
360.92313	1.5
375.27576	1.0
389.92252	1.3
396.70474	0.6
404.94772	1.4
413.80872	0.6
447.09299	18.1
448.09735	2.4
536.99158	1.0
537.32794	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	537.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.4
61.53510	0.8
65.00179	4.0
67.01746	1.0
69.03307	1.4
71.01250	6.0
71.67799	0.7
72.99165	1.1
73.02802	1.2
79.01743	1.4
83.01221	2.0
85.02810	3.9
87.00760	1.2
89.02310	2.0
93.03337	1.0
95.01233	6.0
97.02811	1.8
101.02317	3.3
107.01266	10.7
107.20773	0.7
108.02050	7.0
111.00744	4.2
112.01540	2.1
113.02311	3.5
115.01785	0.9
117.03316	1.1
121.02866	4.8
121.69128	0.7
122.99902	1.5
123.00760	22.2
123.04408	4.5
124.01541	2.3
125.02332	41.8
126.02665	1.9
127.00250	1.0
131.01326	1.6
132.02026	2.0
133.02869	1.9
135.04393	1.5
136.01556	0.8
136.05197	2.2
136.98692	2.0
137.02350	1.1
139.00258	6.9
140.01082	4.9
141.01819	3.0
143.01288	2.6
145.02826	3.5
147.00711	0.9
147.04414	1.7
148.01524	2.8
149.01208	1.4
149.02338	20.7
150.03183	4.7
151.00264	11.8
151.03880	2.3
151.12434	0.7
152.01080	1.9
153.01840	1.1
157.02840	0.7
159.00786	2.4
160.01595	4.4
161.02336	5.8
162.03009	0.7
163.00145	1.2
163.03917	3.0
164.04727	10.0
165.01802	1.4
165.05507	5.0
166.02599	0.7
166.99779	7.4
167.03363	1.4
168.00557	10.7
169.01337	55.7
170.01672	4.2
171.00887	1.3
172.01541	1.8
173.02338	3.5
175.00327	0.8
175.03922	1.4
176.01100	4.4
177.01833	6.4
177.05391	0.8
179.03305	0.8
179.07025	2.7
181.04979	0.7
185.02374	1.2
187.00360	3.7
187.03920	2.3
188.01056	3.5
189.01875	6.6
190.99774	1.1
191.03401	2.4
192.00594	1.5
193.01337	4.8
195.02881	0.8
195.06551	5.6
200.98685	1.9
201.01834	2.7
202.99823	1.4
203.03397	1.8
204.00581	6.3
205.01373	8.2
206.02043	1.7
206.99200	0.9
208.03714	9.5
211.02406	12.0
212.02725	1.0
214.99748	4.7
216.00563	19.1
217.01314	7.4
218.01910	1.1
219.02858	1.4
221.08095	1.1
223.06056	35.1
224.06465	1.8
226.99762	1.0
229.01353	5.8
230.99255	2.1
231.02950	1.5
232.00084	6.5
233.00877	2.1
242.99307	3.1
244.00041	2.4
245.00835	3.5
246.01414	0.9
247.02386	3.0
247.99368	0.8
249.03914	1.7
250.01143	0.9
257.00858	1.4
258.98846	3.8
259.99622	3.4
261.00330	2.6
263.01831	2.0
270.98874	5.4
271.04556	13.1
271.99615	1.2
273.00381	2.2
275.01968	6.6
276.02682	2.7
277.03494	3.5
283.99496	1.8
287.06818	0.8
291.01413	1.2
298.98334	2.4
299.98990	2.2
300.99869	22.7
302.00214	2.7
303.01431	28.0
304.01761	3.2
311.09393	0.9
313.05627	100.0
314.05969	7.2
319.00854	3.2
321.02463	3.9
331.06595	1.3
343.11780	8.4
347.00424	59.5
348.00815	5.4
383.13766	1.0
391.13995	9.0
422.08618	2.1
438.03305	1.0
438.52979	0.8
452.03067	2.6
452.53061	1.0
466.02786	0.9
493.09747	1.1
505.06323	9.9
506.06317	1.6
507.18652	3.8
519.19171	1.0
537.08990	13.0
537.19635	18.2
538.09088	1.7
538.20148	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
57.69278	0.7
59.01234	4.0
60.99175	15.4
62.49765	0.7
67.69543	0.7
69.21472	3.0
69.21898	5.4
70.34829	0.7
71.01247	2.8
83.01241	1.2
88.98675	100.0
89.02325	2.5
89.99014	1.3
95.01240	1.0
98.19827	1.7
101.02315	1.5
105.52965	0.7
107.01260	2.0
109.58218	0.8
111.33182	0.8
119.03445	1.1
121.02827	1.4
123.00779	1.1
125.02350	2.6
129.01826	0.8
137.02313	0.9
139.00369	0.8
141.01878	0.7
149.02342	0.9
151.00259	6.4
161.02298	0.8
163.00299	2.2
164.04633	0.9
166.99800	1.0
169.01286	3.7
178.99815	5.0
179.07036	1.7
197.56119	0.7
198.05305	2.0
199.04004	0.8
203.03468	1.0
211.02330	1.4
216.00572	0.8
217.01357	1.0
227.03453	0.9
243.02963	2.6
244.09807	0.8
245.00922	0.9
255.02972	8.8
271.02457	16.0
272.02820	1.7
276.96140	0.8
283.02579	1.1
300.02728	42.7
300.99905	1.7
301.03467	32.7
302.03918	2.7
303.01428	2.6
316.01950	1.0
347.00430	2.0
366.77878	0.8
391.14233	1.8
398.40619	0.8
447.09283	61.1
448.09686	6.8
507.18777	1.3
537.10364	1.7
537.32764	5.8
538.08612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03308	1.1
58.00444	1.2
59.01246	14.7
61.98678	0.7
64.81129	0.4
69.03313	0.5
71.01250	10.3
71.56189	0.4
72.01594	0.4
72.99195	1.2
73.02811	2.2
80.96367	0.5
83.01264	1.8
85.02820	4.1
87.00736	1.4
89.02317	5.8
93.03325	2.5
95.01258	1.5
95.04897	0.4
96.95892	1.5
97.02792	0.5
99.00758	0.6
99.04408	0.5
101.02302	6.5
107.01291	0.7
108.02044	0.8
109.02830	0.6
111.00782	0.7
113.02325	3.0
119.03398	1.2
121.02840	12.3
122.03726	2.1
123.00752	0.9
123.04391	1.2
124.01526	0.9
125.02334	1.4
125.09586	1.1
127.11139	0.5
132.02097	0.9
133.02852	1.5
134.03664	0.7
135.04404	7.3
136.01547	1.3
137.02330	1.9
141.09235	0.5
145.02782	0.7
146.03654	0.6
147.04408	1.3
149.02342	17.2
149.05971	1.8
150.03131	13.7
151.00247	0.8
151.03738	1.3
152.00999	2.6
154.02577	1.1
155.10634	0.7
160.05247	0.6
161.04529	1.1
161.05952	0.9
162.03172	0.5
163.03915	3.3
164.04695	3.5
165.05431	0.6
166.02600	1.7
167.03398	3.2
169.01343	0.9
171.10184	4.4
172.05263	1.1
173.05872	0.5
174.03181	0.5
175.03908	1.8
181.04974	0.9
189.05484	2.5
190.06294	4.5
205.08563	1.5
211.13319	1.0
282.05078	0.5
300.99847	0.9
311.13135	0.5
315.08868	3.9
316.09097	0.5
323.09583	0.6
325.10678	1.6
326.11761	0.8
327.21988	0.6
329.10260	3.2
336.68405	0.5
337.10587	0.5
340.09390	0.5
341.10471	0.9
347.20609	0.8
355.12027	1.0
355.24866	3.6
356.12595	1.0
356.25430	0.7
373.21475	1.0
373.25940	12.9
374.26297	1.5
475.29114	0.5
490.16104	1.0
505.18793	6.7
506.19016	1.5
517.18512	1.2
517.30298	2.0
520.17389	1.5
535.19653	28.6
535.31177	100.0
536.19958	5.4
536.31555	15.2
554.08813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.6
57.03316	1.8
58.00473	1.1
59.01249	100.0
61.98678	1.1
63.81524	1.0
69.03333	1.3
71.01251	39.2
72.01569	0.9
72.99184	4.2
73.02815	11.8
75.00735	1.2
79.95609	2.5
80.96387	1.3
83.01247	6.3
85.02333	1.7
85.02819	20.4
87.00753	5.1
89.02308	16.0
93.37208	0.8
95.01268	3.0
96.95896	1.5
97.06480	1.2
98.19798	2.6
99.00766	5.2
101.02312	30.9
103.03951	1.1
111.00764	2.5
113.01615	1.4
113.02328	16.7
119.03360	5.3
120.05183	0.9
123.00784	1.4
123.08045	2.5
125.02307	4.1
126.02608	0.8
128.33556	0.9
129.05148	0.8
140.58720	0.9
142.76573	0.9
143.03389	1.5
159.02869	3.4
161.04448	12.9
169.01323	3.1
179.05659	1.1
181.15857	1.2
227.16447	8.1
277.21719	2.9
292.98318	0.9
295.22833	3.5
300.99936	1.5
313.23767	3.0
355.24985	1.6
371.20642	2.5
373.25906	2.0
389.21722	8.8
390.22122	1.2
439.27060	12.2
440.26987	1.8
457.28070	41.2
458.28207	4.9
475.29099	49.7
476.29425	5.8
517.26764	1.0
535.26984	51.6
536.27478	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89019	0.4
57.03325	1.0
58.00457	0.9
59.01249	100.0
60.01586	0.8
61.98666	0.5
62.34705	0.4
67.01756	0.7
69.03336	0.4
71.01255	8.9
71.56911	0.7
72.99179	1.2
73.02831	1.8
74.02329	0.4
75.00758	0.7
76.13966	0.4
79.95625	0.4
83.01261	1.3
85.02827	3.2
89.02309	6.1
93.03363	2.7
93.20900	0.4
95.01258	2.4
96.95890	1.4
97.06426	0.6
98.95537	0.5
99.00734	0.6
99.87400	0.4
101.02328	5.9
107.01279	0.5
111.00770	1.0
112.93612	0.4
113.02325	4.1
119.03374	3.1
119.04935	0.7
121.02893	0.4
123.00809	1.4
125.02325	3.2
127.00216	0.4
127.11179	0.5
139.00264	2.4
143.03412	0.5
149.02209	0.4
149.04431	0.7
151.00229	0.5
161.04477	1.7
163.03922	1.2
165.01920	0.6
166.99763	0.7
169.01332	3.4
169.12233	0.4
171.10130	1.2
176.03505	1.1
177.01802	0.5
178.99878	0.6
179.05516	1.8
185.11740	0.6
190.99704	0.4
201.14975	0.8
223.02592	0.5
229.01482	0.5
241.68959	0.5
245.00600	0.4
247.02547	0.4
253.08755	0.5
275.02069	0.5
284.10474	2.5
299.12872	6.6
300.13101	0.5
300.99908	1.0
311.12903	1.8
333.15546	1.5
355.24832	1.2
363.20215	2.1
373.13828	1.3
373.25848	4.6
377.18301	0.5
517.30115	1.6
518.30798	0.5
535.19080	2.0
535.31213	30.8
536.18396	0.7
536.31415	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	534.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.2
62.57326	0.8
78.95763	9.9
82.64539	0.8
96.95828	1.1
138.91945	1.8
139.60023	0.8
140.01065	2.3
152.99471	1.8
158.25261	0.8
196.03697	1.3
214.04796	3.0
239.20084	2.7
279.23273	100.0
280.23602	10.8
294.28195	0.7
304.90512	0.9
333.33414	0.8
337.19135	3.7
476.27798	31.0
477.28146	3.5
534.23627	15.0
535.23767	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	535.1819
Annotation	Phellavin
Peak:m/z	Relative Intensity
59.01248	13.2
63.96436	2.9
64.34634	3.2
69.51118	15.7
69.51534	10.4
71.01250	13.1
73.02827	4.2
79.95607	4.2
83.01265	4.9
85.02837	4.3
89.02308	5.5
95.01245	10.2
96.95878	9.5
98.98906	3.2
101.02326	4.5
107.01256	7.5
109.02831	5.1
111.00668	5.4
113.02294	3.8
121.02834	23.2
123.00780	17.8
123.04391	8.7
125.02312	29.6
135.04408	7.6
137.02330	5.8
141.01891	4.0
143.79271	3.6
145.02841	6.2
146.03505	3.7
147.04407	41.3
148.05156	3.7
149.05849	3.5
150.03122	9.8
151.00290	3.8
158.03680	4.5
159.04401	18.8
160.05194	20.6
161.02309	6.1
161.05968	7.7
163.03946	9.6
164.04686	19.5
166.99765	11.6
168.00513	4.3
169.01346	40.2
170.01689	3.9
175.07600	19.4
177.01718	3.9
177.05417	5.8
187.00334	3.7
190.02713	4.2
191.03436	3.9
217.01347	3.9
229.01482	4.0
245.00813	5.0
252.07545	4.0
254.05843	3.9
255.06522	7.5
267.06540	20.5
268.07446	28.1
269.08194	24.3
270.98721	4.7
273.00482	6.0
275.01764	4.5
281.08185	8.7
283.09714	38.3
284.10461	6.6
295.09790	6.8
296.10669	4.5
297.11340	4.2
298.12106	7.1
298.98267	7.9
299.12799	5.9
299.98990	7.7
300.99869	22.4
311.09201	13.8
314.83847	3.6
328.09409	8.4
329.13910	89.9
330.14218	7.8
340.09546	24.5
342.25186	3.0
343.11838	100.0
344.12170	12.3
355.11853	62.6
356.12357	7.4
373.12888	39.3
374.12994	6.4
521.44513	3.8
535.18323	49.7
536.18372	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	533.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28464	0.2
55.01760	2.0
57.03323	2.2
58.00465	1.9
58.37820	0.2
59.01249	28.0
60.01582	0.3
61.98712	0.4
69.03340	0.4
71.01250	32.9
71.04893	0.4
71.56938	0.4
72.01590	0.5
72.99174	2.9
73.02814	7.1
75.00745	0.7
77.89374	0.2
79.95622	0.4
80.67284	0.2
81.03326	0.3
83.01250	4.2
85.02821	12.2
85.99973	0.7
87.00760	1.6
87.04382	2.0
87.16932	0.2
88.03908	4.1
89.02314	16.3
90.02660	0.5
95.01257	2.7
96.00800	0.2
96.95889	0.5
97.02840	1.2
97.06411	0.2
99.00756	3.5
99.04391	0.3
101.02319	20.1
101.06002	0.2
102.02666	0.5
111.00761	2.0
113.02323	12.4
113.05987	0.8
114.02674	0.4
115.00250	1.3
118.97947	0.2
119.02564	0.4
119.03394	5.3
123.00795	0.2
125.02312	1.5
125.03336	0.2
127.11211	0.4
129.01826	0.6
130.08623	0.4
131.03403	1.0
132.02885	0.6
137.02374	0.3
139.00337	0.3
143.03381	1.2
149.02396	0.3
149.04472	1.5
153.12749	1.3
159.02910	1.7
161.04459	5.5
169.01384	0.9
169.12273	0.6
171.13803	1.1
179.05533	0.9
182.97531	0.2
183.13869	1.0
191.05516	0.3
201.14911	0.7
205.03479	0.4
217.00301	0.5
229.14420	0.3
256.22745	0.3
257.21213	0.8
277.15738	0.3
293.21262	0.2
293.70251	0.2
298.30600	0.2
301.00070	0.4
307.26547	0.8
325.27521	0.6
327.29117	0.3
353.26956	3.4
354.27393	0.4
371.28036	9.6
372.28418	0.8
401.25461	0.9
418.27844	1.2
419.26483	2.2
515.32312	1.9
533.33325	100.0
534.28363	3.4
534.33667	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	533.333
Annotation	Cepafungin I
Peak:m/z	Relative Intensity
55.01759	1.9
57.03325	1.9
58.00470	1.2
59.01250	13.2
61.98699	0.4
62.10675	0.2
68.99688	0.2
69.03325	0.5
71.01250	17.0
71.04881	0.2
72.01567	0.4
72.99174	1.5
73.02814	5.6
75.00735	0.5
79.95613	0.2
80.96381	0.3
81.03316	0.2
83.01254	3.9
85.02818	8.8
85.99953	0.9
86.03156	0.3
87.00748	1.5
87.04391	2.4
89.02306	3.0
95.01259	2.0
96.95875	0.5
97.02840	0.5
98.20567	0.3
98.95490	0.3
99.00750	2.5
99.04430	0.2
101.02319	13.2
111.00755	2.0
113.02323	5.4
114.02684	0.4
119.03378	0.6
119.90603	0.2
123.00763	0.2
124.01558	0.3
125.02348	1.1
129.01801	0.6
131.03357	0.3
139.11194	0.2
139.55499	0.1
141.01820	0.3
141.09023	0.2
141.12732	1.4
143.03374	0.5
145.02820	0.4
149.04453	0.4
153.12775	1.2
157.12231	0.3
159.02870	1.3
161.04480	2.6
161.05804	0.3
162.04712	0.2
167.14340	0.3
169.01314	0.9
169.12283	1.6
171.13783	1.7
172.51009	0.2
183.13841	0.6
185.15216	0.2
200.14067	0.3
201.14873	1.1
211.13388	0.2
217.00272	0.3
225.11267	0.7
229.17923	0.2
259.79346	0.2
300.99802	0.2
311.22217	0.4
325.27374	0.9
327.28946	0.6
353.27032	0.3
371.27994	9.1
372.28326	0.8
393.72958	0.2
401.25360	0.2
413.28870	0.2
515.32062	2.2
516.32587	0.5
531.31628	0.3
532.32043	0.2
533.33264	100.0
534.33636	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.7
57.96095	0.2
59.01248	1.6
67.01756	0.6
68.65723	0.2
69.03329	0.3
70.38570	0.6
71.01243	1.3
72.99169	0.3
73.02812	0.4
81.03339	0.3
83.01238	0.4
83.04884	0.4
85.02821	9.6
87.00743	5.1
89.02311	0.3
93.03337	2.6
99.00777	0.3
99.04366	0.4
101.02287	0.3
109.02821	1.1
111.00722	0.3
111.04404	1.0
127.03903	2.1
129.01802	1.1
135.04521	0.2
145.25639	0.2
147.02902	0.6
148.94919	0.3
161.02380	0.3
169.01302	0.3
171.02957	0.8
173.04416	0.9
191.05540	100.0
192.05873	3.4
235.74908	0.2
241.59732	0.2
273.00500	0.3
405.44296	0.2
536.15411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25153	1.7
59.01249	3.1
63.02262	2.0
63.08501	1.5
63.95600	1.8
64.22024	1.7
65.00194	7.3
69.56348	13.7
71.01244	2.6
80.96394	2.1
82.95282	7.4
83.01241	3.7
84.94982	5.4
85.02848	2.2
95.01267	2.7
103.72796	1.9
107.01271	7.5
108.98344	1.8
111.00719	2.0
113.18089	2.0
121.02773	2.0
124.01585	2.0
125.02264	6.1
137.28333	1.6
148.00241	2.3
151.00267	29.4
161.02341	2.6
161.94444	1.8
163.00278	4.7
166.99762	2.1
169.01404	8.2
175.00322	2.2
175.03848	1.9
178.99826	5.9
199.04002	2.0
202.01152	2.1
202.02815	2.6
203.03528	3.4
205.01376	2.6
206.02164	2.1
209.00871	2.0
211.04073	3.0
214.02701	2.8
215.03574	2.4
227.03465	2.5
229.01482	2.5
230.02213	9.3
231.03008	2.6
233.93437	2.0
242.02162	4.8
243.02936	7.6
255.02892	5.3
258.01633	17.2
259.02472	9.4
267.02896	2.1
269.00967	5.6
270.01447	5.3
271.02478	32.5
272.02969	3.8
274.01120	2.0
281.03302	2.5
283.02469	5.0
285.04083	5.8
286.01218	19.4
287.01920	29.4
288.02713	2.3
299.01996	4.7
299.05493	1.9
300.02762	5.1
300.99994	3.7
301.03482	9.4
302.03848	2.6
309.02872	2.3
310.03738	3.9
311.01801	12.5
312.02661	7.0
314.00830	7.1
315.01459	35.7
315.98465	3.9
316.02197	68.3
317.02740	8.9
327.01492	6.5
328.02222	7.7
329.02899	19.2
330.03729	11.5
331.00540	3.3
331.04547	61.8
332.04947	7.3
337.02051	4.4
338.03021	13.0
339.03653	4.2
340.04617	4.9
343.04645	13.6
352.04620	11.2
354.02652	2.4
355.03238	6.0
368.04034	3.1
369.04874	4.7
370.01495	2.5
370.05658	27.7
447.09323	4.3
449.06992	9.1
477.06693	28.0
478.06943	2.8
492.09097	63.5
493.09589	6.8
501.09180	3.3
505.09995	3.9
514.10162	3.4
517.08588	2.5
532.10968	100.0
533.11206	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	531.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.6
55.60086	0.1
57.03325	2.5
58.00462	1.0
59.01250	18.5
60.01585	0.3
66.70827	0.2
67.01776	0.2
69.03328	0.3
69.79156	0.5
69.79559	0.3
71.01253	22.5
71.76841	0.1
72.01592	0.5
72.99184	1.3
73.02818	5.4
74.46735	0.1
75.00737	0.4
79.95602	0.2
83.01257	3.6
83.04903	0.2
84.02022	0.1
85.02821	10.1
85.99966	0.6
87.00745	1.4
89.02316	9.2
90.02648	0.2
95.01261	1.8
96.00801	0.3
96.95894	1.3
97.02825	0.4
97.06439	0.2
98.98984	0.3
99.00757	2.4
99.18760	0.1
101.02323	15.2
102.02652	0.3
111.00764	1.1
113.02334	8.8
114.01897	0.3
114.02670	0.1
119.03393	2.9
119.04875	0.2
121.02840	0.5
123.00762	0.4
123.08033	0.2
125.02361	0.8
125.09599	0.4
126.98475	0.2
127.11181	0.8
129.01791	0.4
131.03380	0.4
139.00330	0.2
139.05423	0.1
139.11166	0.2
141.01843	0.2
141.09119	1.5
143.03407	0.6
143.16464	0.1
145.02866	0.3
147.00792	0.3
149.04485	0.3
151.11267	0.2
153.12779	1.2
159.02924	1.4
161.04480	3.4
166.99817	0.2
169.01349	0.5
169.12263	0.3
171.13840	1.0
175.00276	0.5
176.01050	0.4
179.05511	0.6
181.15926	0.3
182.13075	0.3
182.97496	0.2
183.13890	0.2
183.89105	0.2
185.15427	0.3
191.03371	0.2
199.16881	0.3
200.14127	0.3
200.98555	0.4
202.99817	0.5
211.16963	0.3
212.84044	0.2
235.02464	0.2
246.98853	0.6
270.98877	0.2
279.01520	1.5
281.25046	0.2
300.99915	0.8
307.26431	0.5
322.15427	0.2
325.27472	0.7
333.24124	0.2
351.25375	2.5
352.25717	0.4
369.26440	8.9
370.26694	0.9
399.23953	0.2
513.30664	2.5
514.31122	0.4
529.30652	0.2
531.31757	100.0
532.32104	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	531.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03324	2.1
58.00478	1.1
59.01251	19.7
60.01592	0.2
61.98703	0.3
67.01745	0.2
69.03331	0.5
70.02834	0.2
71.01252	24.1
71.04887	0.2
71.57199	0.1
72.01572	0.4
72.99184	1.9
73.02818	5.5
75.00766	0.5
79.95630	0.2
81.03324	0.2
83.01263	3.6
83.04920	0.1
84.02071	0.2
85.02822	9.8
85.99510	0.1
85.99972	0.5
86.03153	0.3
87.00769	1.3
89.02316	10.3
90.02650	0.3
90.60144	0.1
91.42985	0.1
95.01264	2.3
95.04898	0.1
96.00788	0.4
96.95921	0.8
97.02814	0.6
97.06432	0.1
98.98988	0.2
99.00761	2.2
101.02322	15.5
102.02674	0.2
107.01250	0.1
111.00771	1.3
111.08020	0.2
112.01548	0.2
113.02330	8.8
114.01881	0.2
114.02629	0.3
119.03395	3.4
121.02872	0.3
123.00791	0.4
123.08057	0.1
125.02335	0.9
125.05959	0.1
125.09632	0.3
127.11172	1.2
129.01796	0.3
131.03404	0.4
131.04459	0.2
137.09549	0.1
138.80431	0.1
139.11191	0.3
141.01857	0.3
141.09122	0.8
141.12675	0.1
143.03368	0.7
145.02858	0.2
147.00800	0.3
149.04478	0.4
151.11224	0.2
153.12767	2.0
154.13077	0.2
155.10632	0.2
159.02887	1.3
161.02432	0.1
161.04466	3.5
162.04726	0.2
163.03886	0.1
166.99826	0.1
167.10771	0.1
169.01355	0.7
169.12230	0.3
171.13820	1.6
172.14088	0.1
175.00325	0.3
176.01082	0.3
177.01991	0.1
177.32698	0.1
179.05550	0.5
181.15941	0.2
182.13037	0.2
182.97472	0.1
183.10149	0.2
183.13806	0.2
185.15430	0.2
197.11742	0.2
199.17006	0.2
200.14149	0.3
200.98586	0.3
201.26746	0.1
202.99812	0.3
205.03535	0.2
208.71176	0.1
211.17020	0.2
235.02565	0.3
245.01007	0.1
246.98950	0.5
256.89487	0.2
279.01489	1.5
282.26743	0.1
301.00070	0.6
301.03152	0.1
307.26529	0.3
322.15280	0.2
325.27475	0.5
338.78830	0.1
351.25372	2.6
352.25623	0.4
362.19449	0.3
369.26459	8.5
370.26807	1.2
394.18222	0.2
399.23828	0.1
404.22943	0.1
475.53812	0.1
513.30640	1.6
514.30768	0.4
531.31732	100.0
532.32062	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52043	0.2
55.01761	1.6
57.03323	1.5
58.00475	0.8
59.01250	10.9
61.98697	0.5
67.01775	0.2
68.23946	0.2
68.99667	0.2
69.03328	0.5
70.92209	0.2
71.01251	14.8
71.04871	0.3
71.57093	0.3
72.01582	0.4
72.99182	1.2
73.02819	5.0
75.00728	0.3
79.95609	0.3
83.01262	3.7
85.02824	8.1
85.99971	0.7
87.00762	1.2
89.02310	2.8
95.01250	1.5
96.95884	0.4
97.02824	0.4
99.00755	2.0
101.02322	11.2
111.00752	1.6
112.93562	0.2
113.02334	4.8
119.03385	1.1
123.00745	0.3
124.01628	0.2
125.02351	0.8
126.98498	0.2
127.07555	0.3
129.01869	0.4
131.03378	0.2
141.01874	0.3
141.12766	2.0
143.03398	0.3
143.68127	0.2
145.02840	0.2
149.04475	0.5
151.11172	0.4
153.12769	2.3
156.64288	0.2
159.02924	1.1
159.04044	0.2
161.04466	1.5
169.01309	0.6
169.12282	0.5
171.13831	2.2
181.12328	0.2
182.97479	0.4
197.11711	0.5
200.14110	0.8
200.98561	0.4
207.13841	0.2
229.18111	0.2
271.02408	0.2
300.99948	0.8
301.03265	0.2
302.00034	0.2
305.25107	0.2
309.20917	0.2
325.27560	0.7
362.19302	0.9
369.26456	8.0
370.26855	1.1
399.23987	0.3
513.30634	2.1
514.30890	0.3
529.29895	0.2
531.31744	100.0
532.32104	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	531.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
56.52480	0.1
57.03322	1.6
58.00460	0.6
59.01250	10.9
61.98683	0.4
68.99688	0.3
69.03325	0.6
71.01252	15.4
71.04884	0.2
71.56707	0.2
71.57115	0.2
72.01598	0.2
72.99174	1.2
73.02813	5.7
73.65252	0.1
75.00741	0.3
79.71809	0.1
79.95613	0.1
81.03321	0.2
83.01253	4.1
84.50670	0.1
85.02821	8.8
85.99966	0.8
86.03164	0.2
87.00753	1.3
89.02313	2.5
95.01263	1.8
96.95896	0.2
97.02823	0.5
99.00761	2.1
99.34689	0.1
101.02319	12.0
102.02638	0.4
111.00759	2.3
112.01534	0.2
113.02330	4.7
119.03403	0.4
123.00789	0.2
124.01556	0.2
125.02325	0.8
129.01851	0.7
131.03403	0.3
141.01799	0.3
141.09079	0.3
141.11726	0.2
141.12752	2.8
143.03366	0.4
146.50241	0.1
149.04482	0.4
151.11252	0.1
153.12752	2.5
159.02895	0.9
161.04453	1.9
169.01373	0.4
169.12253	0.6
171.13811	2.3
179.10735	0.2
183.13879	0.2
184.05215	0.3
185.15271	0.2
197.11778	0.5
199.07642	0.2
199.13315	0.2
200.14142	1.0
200.98538	0.4
201.14906	0.1
213.14970	0.1
229.18019	0.2
289.29709	0.1
300.99988	0.4
325.27460	1.1
333.19424	0.2
335.45023	0.1
351.25418	0.2
361.18674	0.2
361.99390	0.1
362.19330	0.7
369.26437	8.0
370.26773	1.0
495.30219	0.2
513.30743	2.3
514.31006	0.3
529.30225	0.2
531.31720	100.0
532.32062	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	531.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13482	2.5
52.30536	3.0
59.01249	51.1
61.98700	7.2
71.01252	10.1
71.56878	2.4
71.57317	3.8
79.95620	3.2
83.28239	2.5
85.02810	5.4
89.02325	4.2
96.95872	6.4
101.02310	5.4
105.83275	2.5
109.75795	2.6
111.08023	10.7
123.00770	5.0
125.02349	5.4
128.91774	3.1
161.04420	4.0
169.01355	3.5
171.10178	4.0
197.11789	39.0
199.13220	3.1
200.98602	3.6
211.13361	4.5
263.19983	2.7
289.00070	3.8
291.19644	9.7
300.99878	9.5
309.20691	100.0
310.20969	10.7
333.20572	3.1
471.29730	3.6
531.22101	4.3
531.31079	15.4
547.87885	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	531.2811
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01757	5.5
55.26035	0.4
57.03321	4.5
58.00466	3.2
59.01250	54.9
60.01575	0.5
61.98706	0.4
68.99667	0.6
69.03328	2.7
69.26692	4.2
71.01251	79.5
72.01566	0.6
72.99182	3.9
73.02816	30.6
74.03143	0.5
75.00734	1.7
81.03323	1.0
83.01254	10.8
83.04887	0.5
84.02032	0.6
85.02819	30.8
85.99953	0.9
86.03191	0.6
87.00739	3.6
89.02315	56.8
89.18621	0.4
90.02624	0.5
95.01261	5.2
96.95906	0.4
97.02814	4.3
99.00753	23.7
99.04385	0.8
101.02320	61.4
102.02665	1.4
111.00745	2.2
113.02327	23.8
114.02669	0.7
115.03899	2.8
119.03385	7.0
123.00758	0.6
125.02333	8.9
129.01825	0.8
131.03398	10.6
138.62396	0.4
139.00296	0.4
143.03384	3.6
149.04453	30.7
150.04825	0.6
159.02911	3.6
161.04454	16.7
162.04865	0.6
167.14284	0.6
169.01346	0.5
179.05528	1.6
191.05533	9.3
205.03477	0.7
221.06552	0.9
233.06581	5.0
237.18500	0.8
251.07684	1.9
267.10022	0.5
293.08817	3.2
300.99658	0.8
399.23846	47.4
400.24203	5.5
465.77966	0.4
531.28046	100.0
532.28418	15.1
541.29425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.3
69.41602	1.0
69.42014	0.3
79.95610	2.5
96.95888	100.0
97.95786	0.2
107.01270	0.5
117.03275	0.1
119.04929	0.5
121.02876	0.4
123.00740	0.3
125.02332	0.4
135.04393	0.3
145.02846	0.4
149.02327	0.2
151.00276	1.4
163.03917	3.7
164.04562	0.1
169.01379	0.7
178.99815	0.6
202.89172	0.2
205.04944	0.3
223.05998	0.2
300.99918	0.4
301.03464	2.6
302.03763	0.2
307.08191	0.2
367.10175	0.2
384.99420	0.2
399.00464	0.5
433.07706	1.4
434.08051	0.2
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
54.70802	0.6
54.81030	0.6
57.63002	0.5
59.01245	0.8
64.63635	0.6
71.56708	0.6
78.95776	18.8
79.87241	0.5
88.98700	0.5
96.95896	1.5
108.00723	0.6
152.99477	3.5
168.04210	2.7
224.06874	7.5
242.07976	1.9
255.23267	100.0
256.23596	10.0
277.36371	0.5
438.89771	0.6
480.30939	63.0
481.31342	8.8
530.30237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
55.43072	0.2
57.03310	0.6
59.01250	7.7
61.98676	0.6
70.44430	1.0
71.01250	6.2
72.99172	0.5
73.02805	0.8
77.52695	0.3
78.02052	0.3
78.95770	0.6
79.64133	0.3
83.01248	0.7
84.80062	0.3
85.02820	1.1
87.00736	0.8
89.02317	5.3
92.21327	0.3
95.01237	0.6
96.95878	0.4
101.02322	6.2
111.08071	0.6
113.02321	2.7
113.09601	0.4
119.03406	1.5
132.04906	0.3
137.83220	0.3
143.03413	0.6
158.60091	0.3
161.04456	3.1
167.10759	0.4
177.12756	0.3
179.05521	1.0
179.14339	0.9
195.13824	8.6
196.14302	0.5
205.12286	0.7
205.15817	0.7
211.13313	0.6
223.11395	0.2
223.13353	6.7
228.13617	0.8
253.09258	30.4
254.09521	1.3
256.13132	1.3
265.21790	0.6
275.20120	5.9
276.20477	0.5
293.21213	100.0
294.18204	0.5
294.21533	9.1
301.00058	0.3
369.84763	0.3
447.13449	1.9
492.22055	0.8
529.30432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69881	0.2
52.20198	0.2
53.44741	0.2
55.01749	0.3
57.03316	0.4
58.00452	0.3
59.00947	0.4
59.01247	8.4
61.74610	0.2
61.98721	0.3
69.29928	1.4
69.30352	0.7
71.01251	6.1
73.02816	1.0
77.14262	0.2
79.28882	0.2
83.01241	0.6
85.02818	1.5
87.00742	0.8
89.02314	6.2
95.01263	0.5
95.04899	0.2
101.02319	6.3
111.01163	0.2
111.08033	0.5
113.02325	3.1
113.09570	0.4
119.03380	2.0
125.02339	0.3
131.03413	0.3
143.03412	0.6
155.57623	0.2
161.04465	2.9
167.10686	0.5
179.05545	1.1
179.14311	0.6
195.13831	8.9
196.14424	1.1
205.12224	0.5
205.15936	0.4
211.13347	0.6
223.13339	6.4
224.13802	0.4
228.13651	1.0
231.21124	0.3
253.09256	29.1
254.09599	1.7
256.13141	1.6
265.21613	0.4
275.20142	5.0
276.20627	0.3
293.21216	100.0
294.21542	9.9
294.26480	0.3
492.22049	0.6
546.73083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46277	6.8
59.01250	100.0
61.98703	26.0
62.39867	8.2
69.57191	35.5
69.57616	25.6
71.01250	86.4
72.99171	9.3
73.02829	10.9
79.95604	14.9
83.01271	10.6
85.02843	26.9
87.00749	9.6
88.03908	8.5
89.02323	76.7
96.00817	15.5
96.95872	19.0
97.02840	10.2
99.00781	15.2
101.02319	57.1
109.06493	10.1
111.04395	8.4
113.02309	36.8
114.01869	9.4
119.03364	9.8
121.02814	10.3
125.02331	22.9
131.03436	8.9
149.04504	23.3
151.03928	11.7
151.07561	21.5
161.04453	18.0
162.46588	7.3
166.99776	9.3
169.01358	24.6
174.67548	7.5
184.16801	8.3
189.01929	8.0
202.99806	8.2
205.19763	8.5
229.29004	8.4
246.98824	17.4
277.99982	7.7
300.99747	14.3
321.14578	25.6
322.15268	16.7
331.19214	9.6
401.25452	45.3
467.33704	14.3
485.34857	17.0
493.24335	27.3
529.00763	42.3
529.22119	29.7
529.30096	73.6
530.00848	11.3
530.27570	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	529.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
61.98708	0.4
65.00179	0.5
67.01772	0.8
69.03323	1.8
71.01255	1.8
71.57098	0.3
72.99181	0.7
74.02316	0.4
78.95779	0.7
79.01765	0.6
79.95593	0.4
80.96390	0.4
81.03340	0.8
83.01264	0.6
85.02802	0.4
88.03881	0.3
89.02338	0.5
95.01234	1.7
96.00768	0.4
96.95881	2.3
97.02827	1.8
98.04348	0.3
101.02306	0.9
107.01266	7.1
109.99984	0.6
110.75245	0.3
111.00739	2.9
112.93613	0.4
113.02309	0.6
114.01848	0.4
121.02844	5.4
123.00771	5.4
123.04430	0.3
123.39676	0.3
124.01581	2.3
125.02332	76.5
126.02673	2.4
127.00259	1.1
130.84369	0.3
135.04431	0.8
136.98695	1.6
137.02336	1.0
139.00278	3.5
139.03893	1.2
140.01059	4.2
141.01808	0.8
145.02873	0.7
149.02336	0.7
150.03137	2.5
151.00247	2.4
153.01839	0.6
154.99757	0.3
162.03123	0.5
163.03958	0.5
165.01823	0.5
165.05516	1.6
166.06259	17.9
166.99747	0.6
167.06705	0.5
168.00565	5.5
169.01335	100.0
170.01680	4.0
171.00581	0.6
177.05531	0.4
181.01379	0.9
181.08632	4.0
183.02901	4.6
184.03201	0.4
189.01984	0.5
218.38272	0.3
290.48074	0.4
300.99768	1.3
317.06558	1.3
332.08881	0.7
347.07709	13.6
348.07944	1.0
385.21606	0.4
529.17120	59.2
530.09729	0.8
530.17438	9.5
530.25458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53936	6.2
59.01234	22.2
68.23732	5.4
71.01257	36.7
71.28084	11.5
72.99178	13.0
75.00756	40.6
78.95746	8.6
81.22121	5.9
85.02821	37.8
87.00736	19.2
89.02319	15.7
95.01284	10.5
96.95903	21.0
99.00742	13.7
101.21061	5.5
113.02343	48.7
118.47958	7.0
152.99475	11.2
196.58008	6.9
204.80786	6.4
249.06073	12.8
267.07202	11.3
277.21738	100.0
278.22119	7.3
326.75592	6.7
509.27463	7.4
527.28308	92.2
528.28741	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	529.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26276	0.2
58.09724	0.2
58.44893	0.2
59.01242	0.8
62.77124	0.2
70.04994	0.9
70.21659	0.2
71.01267	0.2
78.26411	0.2
78.95772	1.3
79.95606	2.9
89.02307	0.3
91.99699	0.2
92.03308	0.2
93.29833	0.2
96.95887	100.0
97.95826	0.3
112.71113	0.2
117.14585	0.2
125.02352	0.5
128.27390	0.2
151.00191	0.2
169.01341	0.7
171.76688	0.2
208.18051	0.2
212.35364	0.2
227.03310	1.0
229.05090	0.2
255.02890	1.3
256.03503	0.3
284.03210	1.7
285.03970	1.9
285.06265	0.2
300.99738	0.2
342.41507	0.2
383.00897	0.5
431.09818	3.7
432.10016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2136
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.01761	0.9
57.03313	0.8
59.01250	10.0
61.98691	1.7
67.01733	0.9
69.63124	2.1
69.63538	1.8
71.01259	8.2
72.99159	1.5
73.02817	3.1
79.01762	1.2
79.95583	1.1
83.01263	1.9
85.02821	2.9
87.00748	1.2
89.02303	2.9
95.01264	2.4
96.95876	1.8
97.02824	1.4
99.00739	0.9
101.02312	5.9
107.01253	4.3
111.00768	2.3
113.02315	3.1
119.03351	1.2
123.00771	15.9
124.01582	0.7
125.02335	16.7
127.00274	0.9
134.03618	0.6
136.25905	0.6
136.98662	0.9
137.05896	0.7
139.00252	4.2
139.03925	0.7
140.00993	2.7
141.01808	2.3
145.02824	0.7
151.00266	7.8
153.01837	0.7
158.03671	1.1
166.99788	0.9
168.00534	3.0
169.01337	14.0
170.01637	0.8
195.13756	1.0
213.14894	21.3
214.15237	1.1
300.99719	1.7
329.23254	3.2
357.19043	1.7
375.20206	60.3
376.20490	5.9
509.20300	1.6
527.21271	100.0
528.21619	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	527.2132
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.12938	0.6
57.03315	2.2
58.00463	0.8
59.01252	28.7
63.71227	0.6
69.03306	0.9
69.47266	1.4
69.47678	4.5
71.01249	5.6
73.02820	5.7
75.38057	0.6
81.14266	0.7
83.01263	5.8
85.02825	2.2
87.04379	2.1
87.51472	0.6
89.02294	0.7
95.01268	2.0
95.04908	1.0
97.02829	0.9
99.00701	0.8
99.04450	0.7
101.02312	3.9
111.00804	1.2
113.02320	1.4
121.02840	1.3
123.00773	15.4
123.04366	0.9
124.01555	100.0
125.02389	13.7
137.05972	0.9
138.03143	3.7
139.00316	1.3
139.03912	58.3
139.11188	18.3
140.04245	2.3
140.11499	1.2
140.26131	0.7
144.31500	0.6
149.02365	0.6
161.04443	0.8
163.11273	1.1
165.09126	1.4
169.12299	1.9
179.10748	1.7
181.05048	1.0
181.12234	4.4
183.10188	37.4
184.10527	1.7
193.12340	0.8
197.11743	1.3
199.13394	1.7
207.10188	0.8
225.11276	12.6
226.11649	1.0
231.10225	0.7
243.12376	6.1
245.85736	0.7
249.11337	0.9
267.12411	1.0
291.12335	1.7
309.13385	1.2
327.14532	2.7
370.46066	0.7
387.16577	2.0
453.17813	0.9
472.52618	0.8
477.17392	0.9
509.20239	7.3
510.20230	0.8
527.21326	91.3
528.21747	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	527.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.6
57.03323	3.3
59.01250	38.3
61.97337	1.1
61.98679	5.2
65.84436	1.2
67.70739	1.2
69.03327	2.4
71.01251	18.8
71.57140	2.2
73.02806	6.8
73.95168	1.3
75.00761	2.8
77.66739	1.3
79.95559	1.9
80.96344	2.1
83.01228	5.8
85.02812	9.8
86.77769	1.2
87.00726	1.5
88.03883	1.8
89.02303	3.1
91.02648	1.3
95.01250	3.5
96.95860	3.2
97.02835	2.3
99.00757	2.8
101.02323	9.3
105.93159	1.5
107.01273	6.3
109.06441	1.2
111.00757	2.4
113.02317	7.4
117.03374	1.2
121.02779	1.7
122.99908	1.8
123.00770	31.6
123.35810	1.2
124.01562	100.0
125.02369	21.0
133.99522	1.1
137.09595	2.2
138.02165	1.6
138.03127	20.7
139.00241	2.5
139.03912	68.1
139.11186	35.1
140.04202	2.0
149.02391	1.7
150.03110	2.9
151.00232	2.1
161.04425	5.8
163.03766	1.6
163.11151	3.9
165.05507	6.0
165.09111	1.6
166.99670	1.6
169.01340	22.6
170.01595	2.5
171.04922	1.4
173.02379	1.4
175.03900	1.9
181.12294	20.5
183.10202	68.2
184.10452	3.3
225.09261	1.5
225.11293	13.9
229.01360	2.0
237.06267	1.9
243.12303	7.9
244.12827	1.4
273.00342	2.3
283.05328	1.8
283.08243	24.0
290.00757	2.4
300.99918	16.1
301.09171	1.7
302.00189	2.8
313.05353	1.4
323.55731	1.3
323.59918	1.4
343.10529	1.5
436.15494	1.5
509.20270	15.5
510.20212	3.4
526.35345	5.3
527.21136	57.4
527.34784	2.9
528.22870	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	527.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	14.1
61.98688	6.3
65.00191	4.3
67.01730	5.1
68.26527	4.2
69.03323	4.5
71.01255	8.5
71.56745	7.7
79.36106	4.1
85.02845	5.5
88.55695	4.1
89.02312	6.2
91.90359	3.9
95.01247	10.4
96.95886	11.6
97.69522	4.0
101.02335	9.4
102.50249	4.1
107.01251	18.2
111.00765	10.3
113.02325	5.4
117.85897	4.2
118.36171	4.2
119.04913	4.2
121.02821	4.2
123.00772	36.5
125.02337	80.6
126.02686	6.0
129.66216	3.9
137.33507	4.3
139.00256	12.8
145.02826	6.7
149.02318	4.7
161.02345	5.8
166.99754	25.6
168.00487	5.2
169.01335	100.0
170.01591	4.9
173.02394	6.6
182.97426	14.8
185.02414	5.4
187.00317	5.4
188.01184	5.4
189.01830	8.3
190.99858	5.5
191.03401	6.6
201.01840	9.1
203.03369	5.0
214.99736	11.2
217.01321	11.8
229.01324	8.0
242.99281	5.2
245.00813	6.4
247.02472	9.9
267.03058	5.3
270.98843	10.4
273.00391	9.0
275.01840	8.2
298.98422	6.6
299.99191	8.5
300.99860	33.7
339.57108	4.5
359.14880	10.1
392.98706	8.2
436.03384	4.6
491.18970	11.9
527.17273	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	525.321
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
59.01245	3.8
60.22683	1.1
64.17860	1.1
69.86602	6.2
79.95612	5.6
81.68421	1.0
82.70400	1.0
95.95107	20.6
96.95885	36.8
125.02349	1.3
137.24162	1.1
164.49072	1.0
187.30609	1.1
191.14136	1.4
198.36722	1.1
202.98627	1.5
217.00177	2.4
308.59445	1.2
525.32568	100.0
526.32928	15.4
549.81030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81543	0.3
59.01249	100.0
59.94854	0.3
60.01587	1.0
61.98708	1.0
71.01250	6.7
71.06149	0.8
72.99191	0.4
77.79031	0.3
79.95618	0.8
80.96387	0.6
85.02831	0.9
87.00779	0.6
89.02310	9.1
95.01277	0.4
96.95882	0.6
101.02318	4.0
102.27528	0.3
102.94853	0.3
103.91921	0.4
105.11594	0.3
113.02332	3.3
116.82423	0.3
119.03381	4.0
119.63494	0.3
125.02314	0.7
128.76282	0.3
131.03404	0.8
143.03427	1.1
146.30507	0.3
148.95432	0.4
149.04510	0.5
153.09920	0.3
161.04498	0.7
179.05528	2.6
202.92645	0.4
202.98833	0.3
217.00351	0.5
337.84540	0.3
465.27054	0.4
525.32434	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	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.2
57.03310	3.3
59.01253	26.9
69.03303	2.3
71.01250	16.2
71.04899	1.0
71.55913	1.2
72.99155	1.0
73.02818	6.1
75.00729	1.1
83.01259	8.3
83.04887	2.6
85.02839	7.1
87.00731	4.0
87.71995	1.0
89.02321	2.4
93.03334	40.1
95.01250	3.5
95.04893	1.5
96.95889	0.9
97.02829	1.3
99.00754	2.2
99.04362	1.7
99.14897	0.9
101.02318	9.2
107.01265	1.8
107.04915	1.1
109.06467	1.4
111.00745	2.2
113.02321	6.0
119.04868	1.3
119.08543	1.6
121.02824	1.4
121.06470	2.4
123.00760	12.6
123.04441	1.3
124.01554	80.9
125.02382	15.1
129.09079	1.0
129.28664	0.8
135.08043	4.4
135.11633	1.6
137.02345	44.3
137.09618	16.3
138.03067	2.1
138.09927	1.4
139.00227	3.0
139.03909	52.1
139.07553	1.4
139.11151	2.5
140.04260	1.6
143.03404	1.6
149.00870	1.0
149.02289	1.0
151.00227	1.3
153.09042	1.7
159.02858	1.6
161.02385	1.3
161.04483	6.4
161.09645	7.9
163.03845	1.2
163.07542	13.5
165.09122	0.9
166.99738	2.2
167.03430	1.0
169.01353	9.3
177.09119	0.9
179.10722	8.4
181.08636	17.9
181.12140	1.8
183.10156	5.1
197.11816	8.0
205.08549	2.0
209.11658	1.0
221.06339	0.9
223.09679	9.6
225.11333	5.1
225.92297	1.0
238.75702	0.9
241.10707	2.7
243.12320	5.3
247.09521	1.5
283.07190	1.4
291.12347	1.0
300.99677	2.7
301.09192	1.2
327.14505	1.4
387.16483	5.9
388.16589	1.1
405.15942	1.8
450.16272	1.3
507.18488	3.2
525.19604	100.0
526.19958	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	525.1978
Annotation	Eucalmaidin C
Peak:m/z	Relative Intensity
55.01776	1.0
57.03340	0.8
58.00481	0.4
59.01253	8.6
61.81139	0.2
63.84119	0.2
64.59303	0.2
65.00212	0.3
67.01765	1.2
68.99706	0.4
69.03344	0.8
69.03693	0.2
70.46377	0.9
71.01252	9.3
72.99175	1.1
73.02819	3.7
73.03184	0.3
75.00766	0.3
79.01791	0.9
81.03345	0.4
82.00492	0.3
83.01261	3.1
85.02818	5.0
86.00006	0.7
86.10513	0.3
87.00761	1.0
89.02303	2.9
90.97563	0.2
95.01261	2.6
97.02837	1.2
99.00761	1.7
101.02322	10.7
102.02725	0.3
107.01269	3.0
107.04930	0.4
109.99984	0.5
111.00768	3.8
113.02325	3.7
119.03384	1.1
121.02814	0.2
123.00771	15.5
124.01597	1.3
125.02341	14.7
126.02686	0.6
127.00268	1.1
129.01778	0.4
135.04448	0.7
136.98695	1.9
137.02388	0.4
139.00262	5.0
139.11197	0.5
139.69267	0.2
140.01053	4.8
141.01843	2.3
149.02338	0.2
151.00269	6.9
151.03850	0.4
152.00673	0.4
153.01833	0.4
154.99706	0.5
159.02965	0.5
161.02449	0.3
161.04492	0.7
163.03842	0.3
163.11218	0.3
165.05403	0.3
166.99794	0.8
168.00558	6.3
169.01335	18.7
170.01709	0.5
177.03961	0.9
181.01379	0.4
181.12268	0.3
183.10197	1.3
211.02455	2.7
211.13324	1.7
224.57730	0.2
241.03508	0.5
241.08557	0.2
271.04526	0.6
281.10263	0.4
297.06238	0.4
301.00143	0.2
313.05630	1.0
329.05124	1.0
357.08090	0.5
373.18655	29.6
374.18973	2.3
375.62949	0.2
426.15311	0.6
439.57278	0.2
481.20810	4.0
482.20996	0.5
506.37347	0.2
507.18539	2.8
524.34662	0.3
525.19714	100.0
526.20087	11.8
526.28247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.0
57.03324	3.8
58.00456	0.9
59.01250	11.6
68.59204	0.2
68.99662	0.5
69.03313	0.7
71.01250	19.2
71.04869	0.2
71.36546	0.4
72.01568	0.4
72.99185	1.1
73.02818	8.1
75.00743	0.7
79.34082	0.2
83.01257	5.3
84.02019	0.3
85.02821	12.1
85.99967	0.7
86.03175	0.4
87.00736	1.6
87.04401	1.0
89.02316	1.6
95.01269	2.2
97.02807	0.8
97.06454	0.3
99.00758	3.4
101.02321	16.8
102.02640	0.3
107.01271	0.4
109.06444	0.4
111.00764	4.3
113.02326	7.2
113.09554	0.3
114.02663	0.2
119.03377	0.2
123.08038	0.6
125.02311	1.2
129.01811	1.2
135.04425	0.7
141.01788	0.5
141.09090	0.4
141.12715	0.9
143.03362	0.6
143.10654	0.4
153.09119	0.8
153.12807	0.3
153.77698	0.2
157.12224	0.2
159.02919	2.4
161.04462	2.1
169.01299	1.3
169.12253	0.4
171.13826	1.8
173.11797	0.4
175.66995	0.2
179.03456	0.3
187.13345	1.1
199.13362	0.3
200.14076	0.5
201.14877	2.2
217.14415	0.6
277.21719	0.3
300.99915	0.3
315.25287	1.0
359.28061	2.1
360.28415	0.4
361.29596	15.2
362.29944	2.1
521.33411	0.5
523.34839	100.0
524.35181	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.1
57.03325	4.9
58.00461	1.4
59.01249	32.3
67.01719	0.5
69.03320	1.1
71.01254	35.6
71.05569	1.0
71.05907	0.8
72.01579	0.6
72.16798	0.4
72.99189	2.3
73.02819	8.5
75.00726	0.6
83.01263	4.8
85.02820	15.9
87.00764	2.5
87.04377	0.5
89.02319	11.1
95.01255	2.8
97.02816	1.1
99.00749	3.7
101.02320	22.7
101.12647	0.4
102.02675	0.7
103.12607	0.4
107.01257	0.7
111.00796	1.5
113.02329	12.7
119.03394	5.0
123.00787	1.0
125.02334	2.6
127.11225	0.9
129.01884	0.6
129.59946	0.4
131.03389	0.6
137.09537	0.5
139.00224	0.7
143.03397	1.0
151.00319	0.5
155.10660	1.3
157.12256	2.0
159.02933	2.8
161.04443	5.4
168.00566	0.8
169.01340	2.6
179.05490	1.1
187.13261	2.7
201.14885	1.0
274.86063	0.5
300.99896	0.6
343.28543	0.8
359.27994	1.7
361.29593	25.0
362.30066	2.1
523.21765	3.7
523.34845	100.0
524.35150	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11297	0.4
55.01754	3.3
57.03323	4.3
58.00466	1.8
59.01250	34.3
60.01578	0.7
60.99168	1.1
61.98721	0.7
67.01756	0.8
69.03320	1.7
69.52171	3.8
71.01254	40.1
72.01602	0.8
72.99187	2.9
73.02818	9.4
75.00755	1.4
75.21651	0.4
79.95644	0.7
83.01257	5.3
85.02827	18.6
85.99968	0.8
87.00761	2.5
87.04393	0.7
88.98676	6.3
89.02313	13.2
95.01269	4.2
96.95889	1.4
97.02846	1.4
99.00745	3.9
101.02322	26.5
107.01260	2.8
111.00777	3.0
113.02325	14.8
114.02664	0.6
117.03388	0.6
119.03394	5.7
123.00752	3.8
123.04401	0.5
123.08066	0.8
125.02341	9.4
127.00280	0.5
129.01848	0.9
133.02861	0.8
135.04417	4.7
136.03920	0.9
136.04840	0.6
139.00252	1.5
139.11154	0.5
140.01035	1.0
143.03412	1.3
147.04359	0.5
149.02399	0.6
151.00311	1.0
151.04031	0.6
153.09087	0.5
157.12222	0.6
159.02898	2.3
161.02397	1.3
161.04471	6.7
163.00191	0.6
163.03967	0.6
165.09113	0.5
166.99791	1.9
168.00583	1.4
169.01344	9.8
170.01656	0.7
171.13828	0.9
173.02414	0.6
177.01910	0.5
178.27078	0.5
179.05592	1.1
179.07050	0.5
185.02374	0.5
187.00246	0.7
187.13300	0.7
189.01872	0.9
190.99719	0.6
191.03386	0.8
199.13179	0.7
201.14935	1.4
205.03249	0.4
211.02490	0.9
214.99915	1.3
217.01413	1.2
225.11281	0.9
242.99290	0.7
243.99963	0.5
245.00989	1.0
247.02435	0.9
271.04581	0.6
273.00400	1.2
274.01135	0.5
275.01920	1.5
298.98361	0.8
299.99207	1.2
300.99869	4.0
315.25720	0.7
359.28220	1.3
361.05722	0.6
361.16757	1.2
361.29575	22.0
362.16342	0.7
362.30093	3.3
486.06332	0.7
523.21790	6.3
523.34973	100.0
524.22247	1.4
524.35272	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	523.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25531	0.6
57.01738	0.5
59.01250	100.0
59.15967	0.6
60.01583	1.1
69.72745	0.6
71.01280	0.9
71.56144	0.7
71.78738	0.6
78.95791	0.8
80.96389	0.8
94.99181	0.6
96.95905	1.1
131.03400	1.0
132.86258	0.7
143.04536	1.1
158.47887	0.6
169.01350	0.7
217.00275	2.1
272.08807	0.6
277.21475	0.7
291.61029	0.7
293.79507	0.7
318.64484	0.9
332.42337	0.7
340.40936	0.7
359.01468	0.8
463.91470	0.6
523.30975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91359	0.4
57.03312	1.1
58.00455	1.0
59.00953	0.5
59.01250	10.4
65.00203	0.8
67.01768	0.6
68.99682	0.3
69.03341	0.7
69.27910	0.3
70.74867	1.2
71.01254	7.5
71.67869	0.4
72.99168	1.6
73.02823	2.2
74.02339	0.4
74.47910	0.4
75.00755	2.3
77.03842	0.6
79.95584	0.4
81.03313	1.3
81.17205	0.3
83.01260	1.6
85.02815	7.5
85.99978	2.3
87.00753	1.8
88.98669	0.8
89.02321	2.5
93.03329	2.1
95.01259	2.3
95.04906	0.9
96.95878	3.1
96.96831	0.6
97.02833	0.6
99.00719	0.6
99.04399	0.7
101.02335	3.1
103.03873	0.5
107.01267	1.5
108.02062	1.1
109.02823	0.8
111.00744	1.2
113.02322	1.0
116.03407	0.5
121.02848	5.9
122.03642	5.4
123.00760	3.2
123.04402	1.8
124.01566	0.5
125.02345	5.9
132.02052	2.1
133.02850	12.6
134.03598	1.6
135.04395	1.8
136.01575	1.1
136.98680	0.7
137.02339	1.1
139.00250	1.5
140.01077	2.2
141.01706	0.4
143.03384	0.5
145.02858	0.6
147.04399	1.5
149.02342	47.9
149.05923	2.2
150.03134	39.3
151.00270	0.5
151.03543	1.5
154.02505	0.5
154.36861	0.4
155.03334	0.7
159.06601	0.5
161.02333	1.1
162.03094	0.7
163.00211	0.9
163.03908	0.8
164.04692	10.4
165.01817	1.2
165.05484	34.9
166.06227	4.4
166.99738	2.2
167.06985	1.9
168.00560	2.8
169.01332	9.9
170.01703	0.6
177.01855	1.0
177.05501	0.4
178.99741	0.4
179.03453	0.6
179.06953	0.5
180.04214	2.1
181.08588	5.0
182.97504	0.5
183.02930	0.4
187.00385	0.6
189.01797	0.5
190.02597	0.5
191.03368	0.6
195.06558	13.1
196.06953	0.7
199.13252	0.3
209.11780	1.4
211.02444	1.3
214.99785	1.1
216.00494	0.5
217.01373	0.7
229.01297	0.6
245.00887	1.1
247.02490	0.5
264.08051	0.4
270.08887	1.8
271.04593	1.6
273.00369	1.3
274.01147	0.5
275.01962	1.6
283.09689	1.6
298.98154	0.8
299.99133	1.7
300.99933	3.8
302.00198	0.6
302.07831	0.6
313.12927	0.9
314.11581	4.4
315.12256	3.8
316.12784	0.7
317.10333	0.8
327.14468	11.1
328.14761	0.8
329.13922	9.2
330.14319	0.6
343.11694	0.6
343.15536	0.5
347.00290	0.7
361.16501	3.6
362.16769	0.5
371.13321	2.0
460.17249	1.4
475.19702	100.0
476.20047	14.7
523.14557	3.1
523.21826	12.4
524.15198	0.7
524.22113	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	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03323	0.7
59.01243	3.9
63.85966	0.3
67.01763	0.8
68.99691	0.5
69.03310	0.6
69.83781	1.7
71.01253	3.9
72.99164	0.7
73.02825	0.8
79.01768	1.2
83.01257	1.4
85.02808	2.7
87.00745	0.6
89.02306	1.2
95.01250	2.6
97.02840	0.7
99.00743	0.7
101.02310	3.5
107.01270	4.2
109.02814	0.4
109.99986	0.4
110.51967	0.3
111.00783	3.1
111.23960	0.3
113.02319	1.4
114.47580	0.3
123.00767	16.3
124.01647	1.3
125.02329	17.4
126.02710	0.4
127.00254	0.7
136.98685	1.7
139.00250	5.6
139.03835	0.4
140.01039	3.7
141.01851	2.4
142.84129	0.3
145.02744	0.3
151.00267	13.9
152.00618	0.6
153.01840	1.0
154.99780	0.4
163.03951	0.6
165.05525	0.4
166.99728	0.5
168.00549	5.4
169.01329	26.5
170.01683	1.1
177.03906	0.4
179.03391	0.5
181.04863	0.5
191.03593	0.3
194.49326	0.3
203.51599	0.3
209.04472	0.5
209.15436	0.7
211.02412	1.8
211.04111	0.3
212.02724	0.3
241.03394	0.3
246.66908	0.3
253.03648	0.4
271.04529	1.8
273.04987	0.5
275.01871	0.4
300.99600	0.4
313.05557	1.8
361.29715	0.7
492.18500	0.3
506.74387	0.3
523.21796	100.0
523.34814	3.1
524.22162	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	523.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
59.01249	2.3
60.99177	14.4
63.02266	0.8
65.00198	0.6
65.74716	0.4
68.85664	0.4
69.44519	3.3
71.01247	3.1
73.02825	0.7
76.38609	0.4
77.19580	0.4
83.01251	1.1
85.02812	1.7
87.50298	0.4
88.98675	100.0
89.02309	1.3
89.99033	0.8
93.03316	0.4
98.19745	0.4
99.00747	0.6
101.02319	2.1
107.01254	2.4
111.00716	0.5
113.02318	1.2
121.02853	1.2
123.00758	1.4
125.02299	2.3
137.02312	0.4
138.14311	0.4
151.00276	8.9
152.00562	0.7
161.04562	0.5
163.00276	0.5
164.96422	0.3
169.01334	3.2
178.99777	4.5
189.01851	0.5
211.02388	0.7
271.04675	1.1
272.04959	0.9
273.04764	0.4
300.99933	0.8
301.03503	21.5
302.03821	1.3
313.05804	0.5
360.28302	0.5
361.29443	1.3
390.93027	1.2
433.07724	16.2
434.08087	2.1
522.33655	2.8
523.21552	1.4
523.34869	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	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.6
57.03315	3.8
58.00455	1.3
59.01253	25.7
60.01576	0.5
67.09050	0.4
68.29229	0.4
69.03329	0.6
69.67764	2.0
69.68169	0.7
71.01253	28.7
71.02825	0.4
71.04899	0.7
72.01579	0.6
72.99178	1.6
73.02821	7.3
75.00761	0.5
83.01260	4.0
85.02827	12.1
85.99954	0.4
87.00749	2.3
87.04405	0.8
89.02318	12.3
94.46194	0.4
95.01265	2.3
96.95872	1.4
96.96844	0.6
97.02857	0.6
97.06411	0.9
98.19810	0.7
99.00753	2.9
101.02325	21.3
102.02651	0.8
105.51019	0.3
105.73060	0.4
111.00795	1.9
111.08025	0.4
113.02332	11.0
114.02680	0.6
119.03405	4.9
123.00757	0.4
123.08064	1.1
125.02321	1.2
127.11201	0.4
129.01845	0.5
131.03381	0.6
137.09575	0.8
141.01848	0.4
141.09081	0.7
141.12743	0.8
143.03395	1.0
155.10738	0.9
157.12222	0.4
159.02940	1.9
161.04459	4.5
169.01320	0.6
169.12256	0.5
171.13835	1.4
179.05484	1.6
183.13782	0.8
185.15552	0.4
187.13301	1.4
201.14969	2.5
271.48062	0.4
333.19177	0.9
347.20810	0.5
357.26389	0.5
359.28024	20.6
360.28342	1.9
362.19394	1.1
363.19958	0.6
389.21729	0.8
467.50244	0.4
503.31656	1.0
521.33240	100.0
522.25934	1.0
522.33624	15.3
531.91620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43573	0.7
55.01762	4.1
57.03327	5.1
58.00465	4.5
59.01250	90.7
60.01578	1.4
61.80447	0.6
68.99694	0.8
69.03329	2.1
70.63116	1.4
70.63451	0.9
71.01253	81.0
71.04897	3.0
72.01606	1.5
72.99183	7.1
73.02813	13.6
75.00726	1.1
83.01254	7.3
85.02820	26.8
87.00755	5.9
87.04392	1.0
89.02316	53.8
93.03327	1.0
95.01270	5.8
95.21468	0.7
96.77531	0.7
96.95875	1.2
97.02837	2.0
97.06480	1.0
99.00746	6.7
101.02322	51.3
102.02647	1.7
107.38392	0.7
109.02909	0.8
109.06525	0.8
111.00775	2.0
113.02335	30.6
114.02639	0.9
115.03864	1.1
119.03391	26.1
121.10139	3.3
123.00782	1.1
125.02370	3.6
125.09557	0.9
131.03406	4.1
141.12767	1.4
143.03372	4.6
149.04480	1.7
155.10751	0.8
157.12263	5.9
159.02901	3.0
161.04449	11.0
169.01331	1.2
171.13863	2.1
179.05515	8.0
181.15976	1.5
183.13815	4.4
187.13298	3.8
201.14868	4.9
227.16476	13.1
228.16817	0.7
233.06619	0.9
293.08789	1.1
299.26035	0.9
301.91846	0.8
341.26920	3.0
342.27472	0.8
359.28009	32.0
360.28467	3.9
371.20633	3.4
389.21793	20.5
390.22287	2.9
457.27832	1.3
475.28891	1.8
521.25928	90.5
521.33337	100.0
522.26282	15.5
522.33661	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.2
56.19812	0.3
57.03326	4.0
58.00455	1.1
59.01250	22.9
60.01577	0.5
67.71117	0.3
69.03310	0.7
71.01254	30.7
71.17896	0.8
72.01585	0.5
72.99194	1.8
73.02816	9.5
75.00735	1.0
83.01250	6.1
84.02071	0.4
84.16154	0.3
85.02819	15.1
85.99962	0.7
87.00755	2.6
89.01814	0.6
89.02319	7.6
95.01285	2.9
96.95876	0.7
97.02827	0.7
97.06445	0.6
99.00751	3.6
101.02321	23.4
102.02663	0.8
111.00778	4.2
111.08000	0.5
113.02325	11.5
119.03397	3.2
121.10114	2.1
123.08026	0.9
125.02312	1.0
125.09564	0.5
129.01825	1.2
137.09621	0.5
139.11153	0.5
139.65015	0.3
141.01846	0.8
141.09041	0.6
141.12733	1.3
142.72812	0.3
143.03383	1.0
143.10684	0.5
155.10692	0.7
157.12257	1.1
159.02927	2.6
161.04465	4.2
165.12650	0.4
169.01324	0.6
169.12279	0.6
171.13846	1.7
179.05501	1.3
181.12148	0.4
181.83517	0.3
183.13834	0.5
187.13359	1.0
197.50284	0.4
200.14127	0.5
201.14890	5.1
202.15234	0.6
230.15309	0.4
292.80811	0.3
331.10080	0.4
333.19391	0.5
341.26703	0.8
357.26303	0.6
359.28015	16.8
360.28253	1.5
362.19339	1.0
363.20169	2.5
461.31445	0.4
491.32614	0.5
503.31870	0.8
521.33282	100.0
522.33588	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
55.21230	0.2
57.03318	3.3
58.00465	1.9
59.01249	32.0
60.01569	0.4
62.89790	0.3
69.03298	0.5
69.33070	1.4
69.33501	1.0
70.45470	0.2
71.01251	40.0
71.04881	0.8
72.01585	0.5
72.99177	2.2
73.02816	8.4
75.00745	0.8
79.05887	0.3
80.96441	0.2
83.01254	5.0
84.02055	0.4
85.02818	16.0
85.99951	0.6
87.00754	2.0
87.04371	0.7
89.02314	16.0
89.43387	0.2
89.54522	0.2
95.01262	4.2
96.95892	0.5
97.02816	0.7
97.06458	0.3
99.00758	3.5
99.04408	0.3
101.02318	26.5
102.02698	0.5
107.01265	0.4
111.00755	2.4
111.08050	0.3
113.02328	15.0
113.09638	0.3
114.02657	0.6
119.03385	6.6
119.70925	0.2
121.10120	2.4
123.00749	0.8
123.08054	0.4
125.02352	2.2
125.09570	0.4
127.11198	0.5
129.01813	1.0
131.03421	0.9
139.00200	0.4
141.09099	0.7
143.03404	1.5
149.04494	0.3
157.12221	1.7
159.02933	1.9
159.04170	0.3
161.02367	0.4
161.04459	6.9
162.04863	0.3
163.40762	0.3
166.99884	0.3
168.00558	0.6
169.01343	2.5
169.12280	0.3
171.13832	1.5
179.05518	1.4
183.13806	0.8
187.13307	0.6
199.13307	0.3
201.14885	6.9
202.15202	0.3
211.02386	0.8
213.14934	0.5
271.04605	0.6
299.25922	0.4
319.17560	0.6
319.38797	0.3
321.01797	0.2
331.06650	0.8
333.19138	0.3
341.27014	0.3
345.19125	0.7
357.26416	0.3
359.28021	18.6
360.28448	1.7
363.20172	1.9
364.20340	0.3
491.19174	1.2
491.32062	0.8
503.19009	0.4
503.32092	0.8
519.31580	0.5
521.20245	3.5
521.33270	100.0
522.20587	0.9
522.33624	14.2
545.93982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99411	0.3
52.53824	0.3
55.01759	2.6
57.03329	3.7
58.00463	1.7
59.01249	30.0
60.01564	0.4
67.01758	0.7
68.99680	0.3
69.03313	1.2
71.01250	40.4
71.57270	0.6
72.01556	0.9
72.99183	3.2
73.02814	8.2
73.96092	0.3
75.00734	1.1
75.98154	0.4
79.95620	0.4
83.01259	6.2
85.02821	16.9
85.99984	0.7
87.00750	2.0
89.02312	13.5
95.01263	4.5
96.95866	1.0
97.02827	1.1
97.06448	1.2
99.00765	4.0
99.08007	0.4
101.02320	23.2
102.02657	0.7
107.01256	2.6
109.02860	0.4
111.00760	3.6
111.08041	0.5
113.02331	14.1
113.09564	0.4
114.02682	0.5
119.03375	5.3
123.00764	3.8
123.01600	0.5
123.08036	2.7
124.01543	0.4
125.02335	13.8
127.00300	0.6
127.11227	0.5
129.01834	0.8
131.86575	0.3
132.02911	0.5
136.98686	0.7
137.02335	0.8
139.00307	1.8
139.03909	0.4
139.11162	0.4
140.01028	1.2
141.01805	0.7
141.09113	1.7
142.39607	0.3
143.03395	1.3
143.10603	0.4
149.02316	0.5
151.00275	1.8
153.01816	0.6
159.02885	2.6
161.02321	0.5
161.04466	6.5
163.00305	0.4
163.04041	0.4
165.01781	0.4
166.99733	1.1
167.03374	1.0
167.10641	0.5
168.00551	5.8
169.01331	21.4
169.12215	1.2
170.01619	1.2
171.13788	1.5
179.05524	1.3
182.02049	0.5
183.02953	0.9
185.11668	0.4
187.13252	2.5
189.58250	0.3
199.13437	0.4
200.14059	0.9
201.01929	0.3
201.14845	1.3
209.00740	0.5
211.02422	27.0
212.02731	1.0
214.99590	0.4
241.03424	1.1
245.00919	0.4
271.04590	38.2
272.04950	3.0
273.00415	0.6
300.99863	1.2
331.06668	8.2
332.07004	0.7
341.27139	0.7
359.27997	23.2
360.28406	3.3
362.19516	0.9
363.20047	0.8
503.32239	1.0
521.20282	19.4
521.33258	100.0
522.20978	3.5
522.33600	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	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03314	0.8
58.00459	0.5
59.01248	100.0
60.01591	1.5
61.98703	1.5
70.63572	0.4
71.01251	17.0
72.99166	0.6
73.02816	5.2
77.14360	0.4
78.95764	0.8
79.95626	0.7
83.01253	2.2
85.02818	7.5
87.00748	0.9
89.02315	3.9
95.01257	1.2
96.95888	21.7
99.00756	2.7
101.02315	12.1
102.02689	0.5
106.66874	0.4
111.00761	1.0
113.02325	7.1
119.03403	0.8
121.02852	1.1
125.02344	0.9
129.48735	0.4
143.03337	0.8
149.04477	0.4
159.02888	2.1
161.04453	13.4
162.04756	0.4
169.01434	0.5
205.03534	0.7
229.86145	0.4
274.89679	0.4
299.26013	1.1
307.50281	0.4
355.44711	0.4
356.97726	0.4
359.28241	0.6
401.08713	0.6
461.31204	37.2
462.31537	5.7
521.03430	0.4
521.32910	4.8
522.34106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
55.93191	0.4
57.03325	1.6
59.01250	100.0
60.01579	0.7
61.98692	1.1
68.16525	0.5
70.14832	2.4
71.01254	18.1
72.99210	0.9
73.02816	7.3
75.00748	1.8
78.95786	2.2
83.01241	3.2
85.02815	7.9
87.00760	1.0
89.02338	1.7
93.06984	0.6
95.01268	1.4
96.95903	0.7
97.02849	0.7
98.19859	0.6
99.00744	2.5
101.02321	16.7
102.02689	0.6
111.00792	1.8
113.02344	7.3
118.75494	0.5
120.91428	0.5
121.02788	0.4
125.02365	1.1
129.01859	1.0
135.04436	0.5
137.09714	0.6
140.01137	0.7
141.01871	0.6
143.03395	0.9
157.19330	0.5
159.02913	2.7
161.04446	9.4
167.14307	0.7
169.01387	1.0
193.15894	0.7
205.03511	0.6
214.04858	1.4
225.12822	0.7
231.17470	0.8
233.15564	0.6
233.89287	0.5
245.00938	0.6
247.17010	0.5
249.18605	6.0
255.17580	1.9
275.16568	4.1
281.21259	0.9
293.17587	12.5
299.16519	5.2
299.25934	3.1
300.16861	0.6
307.19147	0.6
325.20166	22.0
461.31186	61.6
462.31564	8.3
509.91525	0.5
521.33081	3.4
522.24841	5.3
522.32562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
55.32211	0.3
57.03321	2.3
58.00470	1.3
59.01251	24.9
60.01592	0.9
61.01683	0.4
61.98703	0.8
69.03330	0.7
69.30975	3.2
71.01250	21.5
72.01585	0.7
72.99172	4.1
73.02818	6.1
75.00733	0.7
78.95771	0.7
79.95612	0.5
80.96368	0.4
83.01268	3.4
84.01956	0.3
85.02820	8.4
85.99973	0.5
87.00751	2.9
88.03902	0.5
89.02314	11.4
90.02641	0.5
93.71089	0.4
95.01266	1.4
96.95882	3.3
96.96833	1.2
97.02843	1.0
98.02347	0.7
99.00746	3.0
99.04393	0.5
101.02322	15.5
102.02653	1.1
111.00744	1.1
113.01598	0.7
113.02333	7.3
114.02604	0.5
115.03903	0.9
117.69922	0.3
118.37179	0.4
119.03387	4.0
120.03735	0.4
121.02870	0.7
123.00756	1.5
125.02348	2.2
125.09641	0.4
129.01794	0.5
131.03482	1.6
133.90717	0.3
134.05980	0.4
138.03108	0.7
141.01881	0.5
143.03397	1.3
144.04454	1.1
146.06001	1.1
157.12212	0.4
159.02814	0.6
161.04471	1.6
163.06047	0.6
166.99850	0.5
169.01355	1.8
179.05499	1.7
181.15907	1.5
190.05052	1.3
191.05492	0.5
209.11781	0.6
223.06065	1.1
227.16457	7.5
230.35744	0.4
249.08824	1.2
300.99796	0.7
345.70624	0.4
351.16437	0.4
358.26578	0.6
359.27802	4.0
371.20685	2.5
389.21790	27.4
390.22052	3.0
457.27869	0.5
461.23901	1.4
464.17505	0.4
503.25122	1.2
520.32245	0.9
521.26007	100.0
521.33081	15.1
522.26367	16.3
522.33447	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	521.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.00888	0.3
57.03321	2.5
58.00454	1.6
59.01248	25.1
60.01583	0.7
69.03324	0.8
71.01251	27.1
71.04877	0.7
72.01600	0.4
72.99178	3.1
73.02815	5.9
81.03338	0.6
83.01252	3.4
85.02821	10.1
86.03134	0.3
87.00732	3.0
89.02312	14.8
90.02657	0.5
95.01248	1.7
96.95883	2.2
96.96802	0.3
97.02818	1.2
98.19764	0.7
99.00751	2.8
100.79776	0.3
101.02317	16.8
102.02656	1.1
108.02036	0.4
111.00758	1.3
113.02325	8.6
114.02664	0.4
115.03915	0.6
119.03399	4.8
121.10107	0.5
123.00803	0.4
124.01579	0.7
124.18057	0.3
125.02345	2.4
125.09566	0.4
127.11192	0.3
129.01804	0.5
130.08450	0.3
131.03384	1.8
139.82222	0.3
141.01804	0.4
143.03394	1.4
144.03732	0.4
149.04451	0.7
157.12245	0.7
159.02902	0.5
161.04465	2.2
171.13826	0.4
179.05518	1.1
181.15936	1.4
183.13805	0.9
187.13324	1.1
201.14902	0.6
227.16472	12.6
228.16829	1.3
271.22839	0.3
280.29593	0.3
358.27097	0.6
359.27979	6.1
360.28192	0.5
371.20715	4.1
372.20963	0.5
389.21802	26.0
390.22073	2.4
503.25214	1.2
520.32306	0.9
521.26086	100.0
521.33301	17.6
522.26343	14.2
522.33551	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	521.2619
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
52.14222	0.4
55.01747	1.7
57.03321	2.1
58.00459	1.7
58.68067	0.4
59.01252	31.2
60.09752	0.5
61.01681	0.5
68.99677	0.5
69.03315	0.7
70.09339	0.4
71.01254	29.6
71.04907	1.1
71.05283	0.6
71.05612	0.8
72.99184	4.5
73.02818	6.7
75.00745	0.6
83.01249	3.7
85.02826	10.8
87.00756	3.4
89.02319	16.8
91.02685	0.4
95.01252	2.1
96.95887	0.9
97.02813	1.2
99.00782	2.6
101.02323	19.8
111.00790	0.6
113.01611	0.7
113.02335	9.4
114.02697	0.5
115.03856	0.7
119.03387	6.4
121.10092	0.8
124.01572	0.5
125.02361	2.7
125.06029	0.4
131.03369	2.0
143.03404	1.8
149.04495	0.8
157.12238	1.1
159.02869	1.0
161.04463	2.4
169.01314	0.5
171.13776	0.4
179.05536	2.1
181.15930	1.1
183.13818	1.4
187.13326	1.0
201.14874	1.3
223.75352	0.4
227.16467	12.2
228.16801	0.5
269.17487	0.6
341.26926	0.6
357.26477	0.5
359.27957	9.9
371.20676	4.3
389.21838	21.5
390.22110	2.8
436.55585	0.5
457.28128	0.5
475.29034	0.8
503.25165	1.2
521.25916	100.0
521.33301	27.4
522.26282	14.0
522.33716	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11399	1.1
52.14658	1.4
55.01744	1.7
58.00462	3.7
59.01250	100.0
66.45254	1.3
66.75084	1.2
69.30043	2.9
69.30447	10.7
71.01252	69.6
72.99179	4.2
73.02816	1.9
85.02830	11.9
85.05521	1.2
87.00749	3.2
89.02316	82.2
90.02663	1.5
95.01251	5.1
101.01691	2.2
101.02323	35.5
102.12318	1.3
108.02051	42.2
109.02847	20.1
111.00796	1.5
113.02322	30.6
119.03391	32.2
123.00787	3.0
125.02317	4.2
131.03392	2.6
135.00797	1.8
143.03398	4.8
145.02849	1.9
149.02347	5.4
150.03076	2.3
152.01050	51.2
153.01862	27.0
161.02417	1.8
161.04477	4.5
163.03864	1.9
164.04756	3.0
165.05507	2.3
168.95815	1.4
169.01300	5.1
175.00279	6.0
176.01080	9.6
179.05499	11.7
180.07866	2.4
188.15746	1.3
190.02629	18.9
191.03423	10.8
205.04935	12.3
209.04416	3.0
211.02383	2.9
215.43269	1.5
223.06027	2.8
223.09741	4.0
224.04753	3.6
225.08890	1.4
226.40324	1.6
238.06203	1.4
239.10860	2.3
241.08655	2.5
255.10251	4.8
266.05704	2.9
269.11862	2.0
270.12299	2.8
271.04675	3.6
273.04074	1.7
281.08105	2.4
282.08853	1.9
283.09726	25.6
284.10144	3.3
294.08936	1.4
295.09784	6.2
296.10489	2.5
297.11252	2.7
298.12140	2.3
299.12372	1.7
310.08405	2.4
310.11832	2.0
311.09235	74.0
312.09589	7.6
313.10724	2.8
315.07263	16.8
316.02271	3.1
316.07755	1.8
317.02887	2.5
325.10785	6.9
326.08029	2.0
326.11520	33.6
327.11969	3.6
341.10202	9.6
341.13907	67.8
342.10800	4.0
342.14319	5.4
353.08646	4.1
454.68558	1.4
477.14493	1.8
497.62900	1.4
521.12970	70.2
521.20020	7.5
522.13007	10.4
522.19940	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22543	0.2
52.99146	0.3
53.08718	0.2
57.03310	0.3
59.00980	0.5
59.01245	3.1
65.00192	0.2
67.01771	0.6
67.30782	0.2
67.98491	0.2
68.99707	0.3
69.03321	0.3
71.01254	2.5
71.26109	0.2
72.99159	0.4
79.01765	0.5
81.03314	0.3
83.01254	0.5
85.02827	0.4
89.02334	0.6
95.01285	0.9
97.02814	0.5
98.19742	0.4
101.02337	0.8
105.06991	0.3
107.01267	3.6
109.99989	0.3
111.00774	1.9
113.02326	0.6
121.02815	0.2
121.06475	0.2
123.00764	4.8
124.01521	2.1
125.02334	21.0
126.02717	0.8
127.00246	0.5
132.60876	0.3
136.98715	1.3
137.02350	0.3
137.09627	1.9
139.00269	2.8
139.03926	0.6
140.01068	3.6
141.01822	0.5
149.02271	0.3
151.00299	1.9
152.01045	0.8
153.01837	5.0
165.01839	0.9
167.03409	1.5
168.00558	11.5
169.01337	26.3
170.01685	1.3
183.02974	0.4
204.85132	0.2
211.02422	41.6
211.47820	0.2
212.02765	2.2
231.86690	0.2
241.03502	1.7
271.04578	100.0
272.04926	7.4
305.50412	0.3
315.07187	1.5
331.06699	21.2
332.07022	1.9
341.14297	0.3
345.13031	0.3
357.13373	0.5
374.83994	0.2
488.85992	0.2
491.19125	1.3
503.19345	1.2
504.19073	0.3
521.13263	1.2
521.20215	17.5
522.13318	0.4
522.20447	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54865	0.3
59.01244	4.9
60.99187	0.6
67.01751	0.6
69.03341	0.4
71.01259	3.2
71.52307	0.6
72.99184	0.7
73.02826	0.3
79.01757	0.5
81.03311	0.3
82.00465	0.3
83.01267	0.8
85.02827	1.0
87.00764	0.7
87.83337	0.3
88.98676	3.5
89.02309	1.7
93.03292	0.3
95.01269	1.3
97.02837	1.0
101.02319	1.4
107.01274	4.9
109.99979	0.6
111.00765	2.3
113.02344	1.0
123.00772	6.8
124.01544	2.9
125.02338	29.4
126.02666	1.0
127.00267	1.3
136.98689	1.9
137.02391	0.8
139.00264	3.6
139.03911	0.6
140.01053	4.4
141.01825	0.7
149.02359	0.7
151.00275	3.2
153.01805	0.5
154.99774	0.5
160.84248	0.3
165.01830	1.0
166.99770	0.3
167.03427	1.8
168.00557	14.6
169.01332	43.1
169.32907	0.3
170.01711	1.7
181.01283	0.3
183.02983	0.5
208.84915	0.3
211.02425	65.5
212.02740	3.7
219.85130	0.3
227.16542	0.4
241.03477	2.6
243.16277	0.3
252.06041	0.3
253.03531	0.3
253.17149	0.4
271.04581	100.0
272.04907	5.9
295.04224	0.3
297.06158	0.6
318.46487	0.3
326.01660	0.3
331.06689	14.1
332.07025	1.2
389.21603	0.7
521.20178	58.9
522.20575	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38929	0.6
50.75388	0.6
55.01744	2.6
57.03301	1.1
58.00468	1.3
59.01253	19.5
69.03297	0.7
69.50407	2.1
69.50832	2.5
71.01250	18.2
72.99169	2.2
73.02818	4.5
77.28982	0.7
83.01276	4.0
85.02830	6.8
85.99966	1.3
87.00749	3.3
89.02326	5.8
92.28213	0.6
95.01277	1.8
98.19729	1.1
99.00741	1.8
101.02318	11.7
108.02056	1.3
109.02814	1.4
111.00761	1.4
113.02325	4.6
119.03368	1.3
121.02838	6.1
121.27927	0.7
125.02322	1.9
129.01810	0.7
135.04424	1.2
145.02872	2.6
147.04411	1.4
151.00278	1.6
159.04416	1.9
169.01375	1.6
178.99771	1.3
181.08623	0.6
182.46341	0.7
195.10188	0.8
208.02431	0.7
224.04813	0.9
238.06265	1.3
239.07010	1.6
240.04227	1.6
251.07156	1.1
253.08699	0.9
254.05798	0.9
255.02943	0.8
255.06683	2.4
255.10271	1.0
265.08704	2.2
266.05920	0.9
267.06473	3.7
268.07407	4.6
269.08151	5.4
270.08908	2.7
271.09705	0.9
275.07086	0.9
280.07495	2.9
281.08154	10.0
282.08951	5.3
283.02625	0.8
283.09705	8.0
284.10168	1.4
293.08209	5.7
294.08853	1.6
295.09674	3.9
296.10324	1.7
297.11285	1.2
299.09393	4.9
300.09976	2.1
302.08084	1.2
309.11426	1.2
311.09238	5.2
312.09845	1.8
314.07892	2.0
314.11469	8.4
315.12201	4.6
316.02271	0.9
326.11581	13.5
327.01443	1.9
327.12277	8.9
329.13950	10.5
340.09686	1.5
341.09863	1.0
341.13937	12.0
342.14157	1.5
343.11783	3.1
355.11823	6.0
356.12668	1.0
357.13489	0.8
359.03995	0.8
359.15543	0.7
369.13507	1.9
377.02286	0.8
385.14966	2.5
444.74646	0.7
445.15100	1.6
459.17758	0.6
461.14603	2.2
473.14594	6.4
474.14764	1.1
476.16766	6.5
477.17343	1.3
488.16873	9.0
489.06964	1.4
491.11786	1.7
491.19226	95.8
492.19522	13.0
503.19235	100.0
504.19507	14.5
521.10071	1.3
521.19904	1.0
521.28510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01254	2.1
70.26164	1.1
71.01247	3.1
72.99155	0.3
73.02824	0.8
76.11198	0.2
83.01242	0.4
85.02825	1.0
89.02309	0.8
93.03323	0.2
95.01258	0.6
99.00770	0.4
101.02308	1.4
107.01252	0.3
108.02041	0.3
109.02797	0.3
111.00775	0.5
113.02321	0.9
117.85210	0.2
121.02845	3.1
122.03651	1.1
123.00769	1.5
123.04393	0.5
124.01531	0.9
125.02336	1.9
134.03571	0.4
135.04379	0.4
136.01544	0.3
136.05179	1.0
137.02315	0.8
137.05971	0.4
138.03122	0.3
139.03900	0.3
141.01823	0.3
143.04927	0.9
145.02797	0.3
145.06436	0.3
146.03671	0.2
147.04424	2.0
149.02344	2.1
149.06013	0.4
150.03134	5.7
151.03748	0.3
153.05504	0.7
158.03661	2.1
159.03078	0.2
159.04424	7.6
160.05205	24.9
161.04437	1.1
161.05969	7.1
162.03114	0.5
162.06250	0.5
163.03906	4.8
164.04710	5.0
165.05321	0.6
166.99713	0.9
168.04224	0.3
169.01334	2.1
173.05978	3.4
175.07558	23.7
176.04707	0.9
176.07913	1.3
177.05481	6.7
178.06258	5.8
179.06633	0.4
181.88705	0.3
191.03473	0.3
191.07065	0.5
192.07816	0.6
193.05000	0.3
193.08627	2.5
194.08951	0.3
201.01781	0.4
202.66196	0.2
217.01381	0.4
229.01357	0.3
250.87381	0.2
269.08133	0.4
270.98785	0.4
271.06372	0.3
283.09595	0.3
299.09055	0.3
299.12775	0.4
299.98981	0.4
300.99823	0.6
311.09241	0.7
314.11572	1.3
325.11069	0.3
326.07977	0.3
326.11499	0.6
327.12384	0.3
329.13922	100.0
330.14261	10.9
341.10104	0.8
341.13959	0.8
343.11694	0.4
356.12692	0.4
359.11130	1.1
359.14996	3.2
371.15048	0.8
374.13687	0.8
389.16064	3.7
390.16199	0.5
392.98907	0.3
399.41040	0.3
491.19061	1.4
497.29089	0.3
503.19354	1.2
521.20447	4.7
522.20123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01740	2.2
57.03322	1.3
58.00457	1.5
59.01249	32.6
71.01250	22.8
72.01591	0.6
72.99161	2.0
73.02816	4.8
83.01250	3.7
85.02819	7.8
87.00722	1.6
89.02315	11.5
95.01256	2.6
96.29967	0.5
99.00741	2.5
101.02319	16.3
107.01265	0.9
109.02825	8.5
109.21545	0.6
113.02335	6.6
119.03389	4.5
123.00765	1.9
123.04413	0.9
125.02338	3.4
131.03401	0.6
152.15390	0.7
159.03053	0.7
159.04379	3.0
161.04486	1.0
166.99821	1.0
169.01428	3.3
171.04343	0.8
172.05194	1.0
173.06023	4.9
179.05493	0.8
187.07532	0.9
187.94945	0.5
189.05502	3.2
190.05989	0.8
191.07077	2.0
201.05504	0.7
203.07068	1.3
205.08617	1.0
217.01334	0.8
217.08742	0.6
225.05542	1.0
240.04298	0.9
241.05017	7.1
243.12337	1.7
247.02368	0.8
253.04929	1.5
253.08778	0.7
255.06555	3.8
256.07077	1.0
267.06619	1.2
268.07303	1.4
269.08163	0.8
279.06693	1.3
281.08194	2.1
283.09573	0.7
283.99496	0.6
295.09677	2.8
296.10382	1.2
298.08319	1.0
299.09161	2.9
300.99832	1.9
311.09320	4.8
312.09799	1.2
313.10840	7.8
326.11542	3.3
327.12338	3.8
329.10266	2.2
341.13864	3.7
343.11966	0.9
344.12650	18.2
345.13037	2.6
359.14999	61.1
360.15332	6.5
521.20245	100.0
522.20630	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	521.0938
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.15534	0.5
55.69739	0.5
59.01249	8.9
65.00195	0.7
67.01727	0.7
69.82867	0.5
70.21972	0.7
71.01257	8.1
71.04890	2.0
71.10364	1.2
71.61013	0.5
72.99169	1.0
73.02795	0.7
83.01251	1.6
84.90310	0.6
85.02842	2.7
87.00764	0.7
89.02312	5.9
95.01234	0.8
96.95868	0.7
97.02847	1.0
101.02365	1.0
101.33221	0.6
103.60558	0.6
107.01271	1.9
108.02059	6.0
109.02845	2.4
115.03898	0.7
121.02901	0.6
123.00755	1.6
123.04412	5.4
124.01528	2.9
125.02354	2.8
134.03648	0.7
137.02347	2.2
139.00284	0.6
139.03920	14.1
150.03082	1.4
151.00294	4.4
152.01067	1.0
159.04446	0.9
160.01538	2.2
161.02325	2.0
163.00261	1.5
163.03850	1.1
164.01109	1.4
165.01831	0.9
165.05539	1.3
166.99687	1.0
169.01372	4.5
174.03087	0.9
175.03899	3.4
178.99780	5.0
183.02925	0.6
187.03879	3.1
188.04616	0.8
189.05487	0.8
190.02650	0.6
190.99622	0.9
193.05040	0.9
195.06566	1.0
201.01926	0.6
202.06279	2.6
203.03511	1.5
203.07011	1.6
204.04292	1.0
206.05867	0.8
214.02660	5.4
215.03337	0.9
216.00648	0.6
217.01376	0.8
218.05840	0.7
219.02983	0.7
227.03404	1.3
229.01414	1.1
233.08186	5.1
242.02129	4.7
243.02953	3.5
245.00893	1.0
253.05342	0.6
259.02451	7.1
270.01700	6.3
271.02457	37.1
272.02780	2.0
273.00208	0.7
277.03329	0.7
283.06128	1.1
287.01987	19.1
288.02432	3.3
295.06039	1.4
296.06998	0.7
297.07620	1.8
300.99832	1.0
310.08450	2.5
311.09354	2.6
313.07242	0.7
313.10794	1.2
314.08002	1.8
315.01434	1.3
316.02222	100.0
317.02832	12.8
325.10657	4.0
328.09473	5.1
329.10236	7.5
329.13995	2.1
341.10162	4.0
343.11810	9.5
356.12695	2.3
357.13486	1.1
359.11380	2.4
371.15002	5.9
374.13565	5.2
375.14349	2.7
389.10934	1.1
389.16046	22.0
390.16406	0.9
426.12134	0.7
479.08377	1.8
506.17636	4.5
507.18356	0.7
521.09357	58.2
521.20245	41.5
522.09747	7.3
522.20801	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	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95122	0.6
59.01241	2.5
60.99176	13.7
67.79726	0.6
69.77029	3.7
71.01254	3.5
73.02779	0.9
85.02827	1.6
85.31355	0.6
88.98678	100.0
89.02300	1.3
89.99040	0.9
101.02324	1.2
107.01287	1.0
113.02319	0.7
115.00254	0.6
121.02814	1.5
123.00739	1.6
123.04385	0.8
125.02312	4.6
139.00235	0.7
140.30362	0.6
149.02354	6.4
151.00217	1.0
161.04579	0.7
164.04710	3.9
166.99689	0.9
169.01323	4.5
211.02345	1.3
223.06088	4.9
234.94702	0.8
255.03136	1.2
271.04587	1.8
285.04141	1.4
297.06161	7.6
300.99573	0.7
314.11536	0.9
316.01807	0.7
329.13937	2.6
374.93597	2.2
389.21970	0.9
426.13663	0.6
427.01385	0.7
431.09778	1.6
520.99579	0.9
521.19568	1.9
521.26135	2.7
521.33264	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	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.3
71.48660	0.6
73.64271	0.4
78.95773	47.6
94.14400	0.4
96.96837	5.7
133.91467	0.3
150.97920	1.4
152.99484	100.0
153.99811	2.0
171.00569	3.6
183.73837	0.3
185.34291	0.3
194.77539	0.4
279.23273	1.3
280.23636	1.0
304.44193	0.3
333.94592	0.3
433.23596	21.2
434.23941	2.6
520.26855	3.3
521.27521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03156	1.8
55.76361	1.6
57.26921	1.6
59.01242	9.7
65.00194	3.3
67.28046	1.9
69.03299	2.1
71.01260	7.0
71.56635	2.3
72.99189	3.0
81.28948	1.7
83.01261	2.6
83.64702	1.6
85.02824	2.1
89.02319	5.3
95.01268	2.9
99.00726	2.3
101.02337	3.4
101.63799	1.9
104.56585	1.8
107.01263	8.5
109.02847	3.8
111.00770	3.7
113.02331	3.1
119.05035	2.1
123.00783	11.9
123.04429	14.2
124.01560	3.5
125.02341	71.9
128.03450	2.3
135.00835	2.3
136.98659	2.5
137.02344	8.4
139.00281	6.8
140.01044	5.2
141.01846	3.5
143.04530	2.4
148.01555	2.2
149.02332	3.1
151.00273	12.1
152.01054	2.5
153.01883	2.0
153.05508	14.6
161.04494	1.9
163.00291	21.7
164.01059	3.8
164.03450	5.7
164.04738	2.1
165.01897	3.4
168.00540	18.6
168.99931	3.3
169.01328	48.3
175.00215	2.3
177.01822	7.9
178.99763	5.9
180.00539	1.9
181.01469	4.4
186.01897	3.0
190.02676	5.2
192.84979	2.0
193.01378	2.5
202.99794	1.9
203.01967	3.1
203.03616	3.1
205.01324	3.8
205.05028	8.6
208.00143	3.5
209.04445	5.7
211.02403	65.4
217.01476	1.8
218.04550	5.1
219.02945	2.3
220.26851	2.1
223.02507	3.1
223.06042	2.3
227.14139	2.5
229.00060	2.6
230.00931	6.7
231.01509	5.1
236.05585	12.8
241.01320	2.4
241.03482	2.6
243.02861	4.3
257.06644	2.9
258.01663	3.4
259.02441	6.4
262.03558	45.1
263.03903	2.6
269.00949	3.2
271.04620	100.0
285.03970	3.7
286.01001	2.3
287.02087	12.5
296.05307	21.6
300.99960	2.1
301.03482	6.4
303.01404	2.2
308.07349	3.0
310.03583	2.5
311.07629	11.0
315.01266	9.7
316.02182	12.7
317.02777	2.2
320.02173	1.9
329.03024	8.2
330.03333	4.4
331.07327	12.3
332.01422	3.0
338.02786	4.0
347.03943	5.2
352.04581	3.4
356.03998	6.4
362.05075	4.1
367.10364	10.1
370.05399	9.2
372.03574	5.4
373.04233	9.9
388.06802	26.6
390.13538	2.0
419.06363	2.2
448.06366	3.0
462.08179	9.4
463.08649	7.6
467.06683	2.0
470.07370	3.5
479.08447	9.5
488.08252	5.7
502.09839	9.8
519.31537	2.5
520.10938	53.1
520.18866	4.3
521.11230	9.7
521.20233	23.5
521.26984	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	520.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	11.8
65.00204	3.0
65.34005	1.9
65.99715	4.3
71.01249	9.6
71.56141	3.9
73.02827	2.5
83.01263	5.8
85.02809	5.4
89.02316	6.0
93.03328	2.7
95.01262	6.6
101.02322	6.1
107.01241	10.3
108.02066	2.9
108.08080	22.1
108.89939	2.1
109.02827	10.0
111.00772	7.0
113.02328	3.3
121.02847	4.9
123.00754	14.9
123.04388	4.7
125.02335	30.3
133.02869	4.7
134.02379	5.4
135.00797	3.8
137.02359	13.7
139.00235	5.9
141.01848	3.0
147.00746	2.5
148.01572	12.5
149.02354	12.7
151.00246	19.0
152.01025	6.8
152.07077	18.6
153.01819	3.8
158.02446	3.4
159.57854	1.9
161.02341	5.6
162.01909	14.9
163.00221	13.5
163.02589	2.5
163.03864	3.2
164.01108	16.2
164.03406	11.1
165.01845	4.8
166.08638	7.3
166.99789	9.2
169.01346	23.7
173.02390	2.4
175.03967	3.5
176.00967	3.8
176.03435	4.3
177.01854	43.4
178.99770	14.5
186.01930	10.8
187.02377	2.5
187.03947	3.7
189.01891	4.9
190.01399	7.2
190.99850	2.2
191.02196	8.7
191.03661	2.6
192.00621	2.8
193.01373	5.8
196.06139	15.6
199.03969	3.5
201.01857	3.8
202.01251	3.0
202.99876	13.2
203.01880	3.9
204.02972	34.2
205.01402	4.1
205.03203	2.3
206.99265	2.9
207.02950	3.1
215.03461	5.1
216.00645	2.4
217.01389	3.8
227.03470	6.3
229.01379	3.5
229.05081	3.4
230.00908	28.1
231.03105	3.9
241.01398	3.3
241.04942	2.6
243.02997	6.8
245.00951	3.1
255.03026	4.5
259.02435	5.5
267.02899	3.7
270.99704	2.6
271.02448	15.9
272.02869	2.9
273.00339	4.6
273.04010	2.9
275.01843	4.1
277.03583	2.4
283.02505	2.9
285.03937	7.4
286.03790	2.5
287.01993	13.1
288.02774	4.7
289.03271	3.1
294.03995	3.8
295.02313	2.8
298.98895	3.7
299.01941	21.3
299.99390	2.5
300.02673	7.6
301.00037	7.6
301.03394	5.5
303.11044	2.8
306.67575	2.6
310.03723	4.0
311.04581	2.3
311.07797	4.2
312.05249	4.1
313.03549	8.9
315.01251	10.2
316.01968	13.0
317.02972	16.8
318.03711	3.2
322.03476	13.2
323.03964	3.5
324.05130	3.4
332.01550	5.7
333.02380	5.0
336.99982	5.2
338.03113	7.2
339.03937	14.3
340.04514	27.9
341.04617	3.3
343.06363	3.5
344.12238	3.0
355.03058	3.6
355.06940	11.6
356.04095	10.3
357.04694	8.7
358.05557	7.6
358.11401	14.0
359.14996	7.8
368.09772	8.8
373.04294	11.7
374.05118	6.9
384.09332	18.5
394.07788	33.1
395.07965	3.8
410.07364	16.3
462.08411	3.9
479.08380	15.6
480.08502	4.0
502.09866	34.0
503.10330	4.1
520.10950	100.0
521.11334	12.6
521.20319	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.5
57.03317	3.9
58.00454	2.2
59.01249	31.6
60.01586	0.5
64.07449	0.5
69.03329	1.0
69.67343	3.1
71.01250	34.3
71.04887	0.7
72.99165	1.9
73.02816	11.0
75.00734	1.1
80.02638	0.6
83.01254	7.8
83.04884	0.5
85.02820	16.5
85.99976	0.8
87.00740	1.9
87.04382	1.1
89.02314	13.7
95.01276	3.2
97.02798	0.9
97.06458	1.8
99.00733	4.4
101.02319	27.0
102.02675	0.9
111.00768	4.3
113.02329	12.0
119.03380	6.2
121.10099	1.9
123.08081	0.7
125.02366	0.6
125.09619	1.0
126.86068	0.6
127.11176	0.5
129.01811	0.8
141.01788	0.9
141.12723	2.0
143.03386	1.5
149.04315	0.5
151.11160	1.3
159.02876	2.3
161.04472	4.1
164.25349	0.5
169.12263	0.5
171.13797	1.8
179.05553	1.6
185.11755	1.1
199.13293	0.8
200.14140	1.4
201.14868	1.7
227.16479	1.0
229.18047	2.0
271.02362	0.7
297.24390	1.2
299.01825	0.8
309.24310	0.9
314.04132	0.9
317.60287	0.5
321.24390	1.9
333.19324	0.7
339.25314	1.1
357.26437	20.9
358.26746	2.4
361.18683	2.4
362.19473	9.6
363.20053	1.3
387.20111	0.7
391.23178	1.0
394.18359	1.2
483.29636	1.5
489.30768	1.4
501.30496	4.0
502.31287	0.8
519.31726	100.0
520.32129	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	519.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03325	0.6
59.01250	100.0
60.01579	0.9
61.98689	0.3
62.29257	0.2
69.31740	1.8
69.32149	0.5
71.01254	10.1
72.99178	0.3
73.02812	2.6
75.00748	0.4
79.95611	0.3
83.01263	1.6
85.02824	4.8
87.00745	0.5
89.02316	2.3
89.16796	0.2
92.01489	0.3
95.01273	0.6
97.02840	0.3
98.20506	0.4
99.00733	1.4
101.02322	6.9
113.02333	4.4
113.03050	0.3
119.03397	0.4
125.02331	0.4
143.03415	0.6
159.02904	1.2
161.04469	7.9
161.26781	0.3
162.04823	0.5
311.05893	0.3
311.10086	0.3
357.26563	0.4
441.28564	13.4
442.29004	2.2
459.29660	5.6
460.30032	0.6
519.31787	5.0
520.32153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3173
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01747	1.2
57.03316	1.4
58.00472	0.5
59.01249	21.3
59.64805	0.4
60.01581	0.3
61.98698	1.0
69.80450	1.1
69.80845	0.7
71.01251	11.4
71.04863	0.3
72.99171	1.2
73.02823	2.7
79.95599	0.7
82.97128	0.3
83.01264	1.6
85.02824	5.1
87.00730	1.1
89.02316	4.9
95.01266	0.9
98.19845	0.5
99.00751	1.3
101.02320	7.0
111.00737	0.4
113.02322	4.0
119.03382	1.1
125.02309	0.7
161.04439	0.5
169.01350	0.4
169.12242	0.4
199.13260	0.3
222.58904	0.4
235.19696	0.4
309.24213	0.5
311.22388	1.8
339.25427	5.7
340.25790	0.4
357.26450	18.8
358.26746	2.1
441.28674	0.4
501.30548	2.5
519.31720	100.0
520.32050	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	519.3175
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01757	2.8
57.03320	3.5
58.00470	1.7
59.01250	34.8
64.03806	0.3
69.03326	0.5
69.31187	1.1
69.31615	2.1
71.01254	42.0
72.01566	0.6
72.99177	2.3
73.02818	10.9
75.00752	0.7
83.01260	5.6
84.02013	0.5
85.02824	18.1
85.99947	0.7
86.03152	0.3
87.00761	2.4
87.04444	0.3
89.02316	15.0
95.01271	4.5
96.95876	0.5
97.02819	1.1
97.06467	1.4
99.00755	4.2
99.04378	0.3
101.02322	26.7
102.02645	0.5
111.00775	2.4
113.02326	15.7
114.02663	0.6
117.04580	0.3
119.03391	5.8
121.10120	2.2
123.07996	0.3
125.02314	1.2
125.09611	1.0
127.10353	0.3
127.11202	1.3
129.01848	0.8
130.08658	0.9
131.03429	0.8
137.09608	0.6
141.01881	0.4
143.03387	1.1
149.04488	0.6
149.09596	0.5
151.11150	0.8
153.82439	0.3
155.10678	0.5
159.02931	2.0
161.04466	5.0
169.01265	0.4
171.13791	2.1
179.05511	1.1
185.11774	1.1
194.49857	0.3
199.13240	0.5
200.14088	1.2
201.14886	1.8
227.16386	0.6
229.17996	1.8
241.17943	0.4
319.17487	0.7
321.24396	1.2
339.25433	1.9
341.13986	0.4
357.26431	21.4
358.26770	2.4
361.18671	1.1
362.19440	8.5
363.20020	0.8
389.21753	0.4
391.23395	0.7
394.18317	1.9
459.29779	0.8
483.29587	1.1
489.30597	1.3
501.30710	3.4
502.31067	0.4
519.31732	100.0
520.32031	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04018	0.4
55.01755	0.9
57.03308	1.2
59.01249	100.0
60.01582	1.6
61.98693	0.6
64.56313	0.4
69.03325	0.4
69.41702	3.6
71.01256	11.6
72.99198	0.6
73.02828	3.9
79.95651	0.5
83.01242	2.2
83.11131	0.3
85.02826	5.6
87.00742	0.9
89.02296	1.9
95.01271	0.9
96.95924	0.7
99.00775	1.9
101.02320	10.2
111.00761	0.5
113.02332	5.8
129.10741	0.4
143.03435	0.8
147.09160	0.4
159.02896	1.9
161.04462	7.6
205.03535	0.7
263.85898	0.5
274.51111	0.4
279.23523	0.4
291.19702	1.1
441.28540	18.1
442.28781	2.8
459.29648	8.6
460.30273	1.4
465.49234	0.4
519.22363	0.6
519.34369	3.3
520.34143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88026	0.3
57.91864	0.3
58.41006	0.3
59.01251	0.5
66.73185	0.3
70.08443	1.4
78.95773	47.7
85.35719	0.3
95.14571	0.3
96.96835	6.3
111.49712	0.3
128.03391	0.5
150.97939	1.6
152.99481	100.0
153.99834	1.6
167.23604	0.3
171.00563	4.4
182.58366	0.3
185.72316	0.3
277.21744	0.7
301.79562	0.3
303.45334	0.3
431.22003	20.1
432.22360	2.1
518.25232	2.6
519.26331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14621	0.3
51.93192	0.3
59.01241	3.9
59.01522	0.3
67.01763	0.4
69.03330	0.4
69.34264	2.9
71.01250	2.5
72.99186	0.3
83.01278	0.4
85.02814	0.9
87.00739	0.3
89.02337	0.9
95.01273	0.8
96.95889	0.9
97.02803	0.4
99.00767	0.3
101.02331	1.0
107.01286	3.0
111.00750	1.7
113.02342	0.6
123.00768	2.8
124.01495	2.0
125.02338	20.0
126.02682	0.7
127.00259	0.8
136.01556	1.6
136.98697	1.0
137.02353	0.7
139.00255	2.0
139.03897	0.9
140.01057	3.6
141.01828	0.4
149.02327	0.4
150.90436	0.3
151.00261	1.4
151.03925	2.3
154.99797	0.4
157.20395	0.3
162.45139	0.3
165.01862	0.9
166.99779	0.3
167.03442	1.3
168.00552	12.4
169.01334	29.0
170.01628	1.8
183.02931	0.6
193.01190	0.3
202.40176	0.3
211.02426	53.0
212.02768	2.4
241.03494	1.5
243.02921	0.5
270.03821	0.5
271.04590	100.0
272.02493	0.4
272.05014	6.3
306.07635	0.4
315.01422	0.4
331.06696	18.4
332.06992	1.3
342.10980	0.5
357.13428	3.2
435.86130	0.3
505.63956	0.3
519.18683	16.9
520.19098	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	517.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.9
59.01251	97.9
61.98693	17.4
68.29723	4.8
71.01247	63.5
72.99181	5.5
73.02824	12.1
75.00745	7.1
79.95602	10.5
80.96427	8.3
83.01265	7.9
85.02829	25.9
87.00723	8.6
89.02302	17.6
95.01266	9.9
96.95905	13.1
97.02811	6.1
101.02312	27.7
113.02343	18.9
119.03396	8.0
121.02802	7.2
123.00803	12.2
125.02331	19.7
154.66190	5.9
161.04465	10.6
166.99663	5.6
169.01315	28.3
169.84325	5.7
206.89366	5.9
300.99823	8.4
322.97964	5.7
355.24866	16.2
395.30457	7.1
404.07477	6.1
457.27753	7.0
459.26178	23.0
517.23633	7.4
517.30383	100.0
518.30286	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10542	0.1
55.01757	0.3
58.00474	0.3
59.01252	4.7
70.85659	0.1
71.01257	4.0
71.56768	0.2
72.99159	0.3
73.02821	0.8
75.00750	0.3
78.95774	0.6
83.01241	0.6
85.02823	0.9
87.00776	0.6
89.02319	3.2
93.98352	0.1
95.01270	0.3
99.00742	0.3
100.26097	0.1
101.02322	3.5
103.03899	0.1
113.02325	1.7
119.03389	0.7
125.02343	0.2
131.03358	0.2
133.04967	0.4
143.03413	0.3
149.83330	0.1
152.99509	1.2
161.04465	1.5
167.65050	0.1
179.05551	0.4
235.08186	1.0
253.09268	13.9
254.09608	0.6
261.22247	0.3
279.23282	100.0
280.23624	9.8
288.24472	0.1
433.23755	0.3
449.68008	0.1
496.13998	0.1
501.08176	0.1
514.68646	0.1
524.67468	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.6
58.00463	3.6
59.01247	35.6
61.98698	14.7
67.43089	2.6
68.40858	3.0
71.01253	40.5
71.36790	6.5
73.02821	12.9
75.00762	3.8
78.83379	2.9
78.95749	2.9
79.95612	8.9
83.01273	5.9
85.02811	18.7
89.02324	9.7
96.95885	11.8
97.02856	3.2
99.00742	3.8
100.27740	2.8
101.02337	24.4
112.93579	3.3
113.02328	12.0
119.02592	3.2
119.03381	3.5
125.02405	3.9
131.03461	3.1
161.04510	9.0
172.88014	3.5
192.95662	2.8
284.70685	3.1
300.99820	5.9
309.24387	10.2
353.23251	14.3
353.26996	7.3
383.24188	5.6
497.32193	3.2
515.32642	100.0
516.33344	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	514.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12173	2.5
54.06887	2.3
54.11538	2.0
55.83130	2.2
57.03316	3.4
59.01252	25.2
61.98690	5.7
69.55849	8.1
69.56268	9.9
69.80207	2.2
71.01260	33.8
72.99149	4.8
73.02818	2.7
78.14486	2.1
79.95593	6.8
80.09418	2.1
80.96393	6.5
82.95295	13.0
83.02376	3.2
85.02818	5.3
88.03916	70.4
89.02299	10.6
91.92371	2.1
95.01234	4.9
96.95884	9.1
97.02841	4.0
100.46230	2.5
101.02322	9.1
101.68220	2.1
107.01273	4.8
112.93606	12.6
113.02312	6.9
115.00263	20.3
119.03394	5.1
123.00766	11.4
124.01502	2.6
125.02355	18.2
126.74743	2.3
132.02930	60.3
139.00230	3.0
160.01570	2.9
161.04387	3.2
166.99745	5.5
168.00487	4.8
169.01328	30.2
175.03918	7.3
176.04259	4.2
177.01868	4.3
179.05632	2.2
180.87053	2.7
187.00328	5.0
189.01701	3.2
201.01854	2.3
209.11765	3.6
214.99834	5.2
216.00464	3.3
217.01318	4.1
227.03323	3.2
229.01270	3.9
230.05330	2.4
231.02936	2.7
255.02972	6.8
256.03415	5.9
257.00793	3.5
270.98911	3.0
273.00415	5.7
275.01938	7.3
284.03323	6.7
285.03778	20.1
286.04346	15.4
298.98303	3.4
299.99051	10.7
300.99881	26.5
329.02600	2.5
360.37698	2.6
399.20273	13.0
431.09818	4.8
432.09998	16.5
471.98486	2.7
477.13980	6.2
478.14505	5.8
514.14813	9.5
514.22833	100.0
514.64667	4.5
515.00543	3.6
515.22705	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.3
57.03312	0.2
58.00454	0.3
59.01249	6.9
59.98381	0.1
60.01584	0.1
61.54998	0.1
66.51770	0.0
68.99670	0.1
69.03310	0.1
69.28471	0.6
71.01251	4.9
72.01586	0.1
72.99171	0.3
73.02815	1.1
73.38369	0.1
81.03326	0.1
83.01256	0.6
83.04885	0.2
83.46060	0.1
85.02819	1.3
87.00739	0.6
89.02316	4.0
90.02673	0.1
91.03883	0.2
95.01266	0.4
97.02801	0.2
97.06438	0.1
99.00750	0.2
99.04395	0.1
99.23989	0.1
101.02319	4.4
102.02634	0.1
103.03882	0.1
103.14764	0.1
111.00720	0.1
112.01543	0.1
113.02327	2.1
113.05975	0.1
115.03864	0.2
119.03380	1.1
125.02358	0.2
127.07536	0.2
131.03398	0.2
133.04979	0.3
143.03412	0.4
145.04926	0.1
149.04466	0.1
157.05009	0.2
161.04463	2.0
162.04736	0.1
177.09250	0.1
179.05524	0.5
182.13051	0.1
187.06093	0.1
197.11694	0.1
204.59218	0.1
205.19446	0.1
233.15358	0.1
233.22679	0.4
235.08179	1.2
253.09251	17.1
254.09602	0.9
259.20648	0.4
275.20026	0.3
277.21704	100.0
278.22043	11.3
332.27576	0.1
435.31161	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03312	0.2
57.33259	0.1
58.00475	0.2
59.01249	6.9
60.01575	0.2
69.03327	0.1
70.17928	0.2
70.18323	0.1
71.01253	5.0
72.01593	0.1
72.98817	0.1
72.99165	0.3
73.02816	1.0
75.00739	0.1
78.95777	0.1
83.01252	0.7
83.04881	0.3
84.47817	0.1
85.02827	1.1
87.00750	0.6
89.02316	3.9
90.02685	0.1
91.03852	0.1
95.01268	0.4
97.02827	0.2
99.00728	0.3
99.04387	0.1
101.02319	4.7
102.02707	0.1
103.03889	0.1
113.02328	2.2
115.03870	0.1
119.03385	1.1
125.02296	0.2
127.07546	0.2
131.03395	0.2
133.04942	0.3
143.03391	0.4
149.04453	0.1
152.65135	0.1
152.99467	0.2
157.04942	0.2
161.04468	1.6
179.05542	0.5
233.22746	0.3
235.08202	1.1
253.09256	15.6
254.09628	0.9
259.20602	0.4
275.20074	0.4
277.21707	100.0
278.22052	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	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63596	0.3
55.01757	0.4
58.00466	0.7
59.01248	74.2
60.01575	0.7
61.98709	0.4
66.15400	0.3
69.43256	2.9
71.01250	11.3
72.99175	0.8
73.02810	3.4
75.00748	0.7
79.95621	0.3
83.01262	1.2
84.01514	0.3
85.02830	4.2
87.00729	0.4
89.02306	5.7
95.01257	1.8
96.95901	0.7
97.02827	0.4
98.20496	0.8
99.00772	1.0
101.02321	8.7
101.02979	0.5
111.00809	0.3
113.02331	8.3
116.86474	0.3
119.03395	2.5
125.02364	0.6
131.03371	0.7
143.03378	0.8
143.16887	0.3
148.08846	1.2
148.33284	0.4
149.04468	1.2
159.02921	0.5
161.04449	3.5
163.11118	0.4
165.12749	15.3
166.13118	0.8
173.28548	0.5
175.11226	0.6
176.11826	0.5
179.05548	0.6
217.15950	0.5
221.06673	0.3
247.20604	7.7
248.20918	0.5
273.18597	4.3
274.18863	0.3
287.20203	0.5
291.19644	100.0
292.19971	10.5
305.21298	2.1
311.10849	0.3
315.19763	0.5
333.20636	4.8
334.21527	0.4
345.20584	0.9
346.20508	0.5
363.21710	0.6
381.22736	5.2
382.23257	0.7
510.72235	0.4
513.26959	6.1
514.27173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59668	0.5
55.01755	5.8
58.00461	2.5
59.01250	59.3
61.98696	0.7
67.01739	0.6
67.49814	0.5
68.99680	0.7
69.03332	2.5
69.18668	0.6
71.01252	100.0
71.56746	0.7
71.57231	0.8
72.01592	1.7
72.99164	4.9
73.02818	37.8
75.00741	2.6
79.95607	1.0
81.03355	0.8
83.01255	11.4
85.02823	31.6
86.03152	0.8
87.00743	6.3
89.02316	73.7
90.02663	1.2
95.01254	5.5
96.95889	14.6
97.02823	4.4
98.38138	0.6
99.00757	30.2
99.04385	0.8
101.02321	74.2
102.02647	1.1
111.00768	2.0
112.93616	0.7
113.02333	32.0
114.02673	0.9
115.03888	2.9
119.03387	13.4
121.80546	0.7
125.02337	9.7
129.01794	1.5
131.03403	18.7
143.03407	6.1
149.04462	39.9
150.04808	0.8
159.02902	4.4
161.04463	25.4
167.95406	0.6
179.05473	3.1
191.05545	12.0
205.03452	1.4
217.16020	0.6
221.06644	1.3
233.06583	6.9
251.07651	1.5
291.19357	0.8
293.08829	3.9
381.22797	33.6
382.23169	3.8
425.21637	1.0
513.26862	71.5
514.27240	10.8
514.33398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66166	3.8
59.01254	80.1
61.98703	28.1
62.78672	3.8
69.03302	5.3
71.01256	65.4
73.02824	25.8
78.95777	6.2
79.95606	9.4
83.01261	8.6
84.69939	4.0
85.02830	23.9
85.25584	3.6
89.02316	50.6
95.01258	5.7
96.95883	17.3
99.00751	13.1
101.02326	47.1
113.02316	26.5
113.19077	3.6
125.02339	14.7
126.99249	3.5
129.18872	4.0
131.03378	12.1
144.13446	3.9
149.04442	17.0
161.04472	19.2
169.01335	5.7
170.12384	3.8
194.96747	3.7
293.08566	4.7
381.22702	25.9
382.23331	5.0
434.39639	4.6
513.26898	100.0
514.27448	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	513.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09154	0.5
58.72065	0.4
59.01242	1.2
67.46427	0.4
69.90019	1.0
69.90424	2.3
71.01238	0.8
89.36629	0.5
98.19794	1.0
103.60245	0.4
119.07947	0.5
130.41769	0.4
136.06804	0.5
145.02844	1.3
151.59273	0.5
157.02946	0.8
163.03891	0.8
173.02325	1.8
175.03812	0.9
185.02336	2.6
189.01808	0.6
201.01868	3.2
217.01472	0.8
229.01331	4.5
245.00847	1.9
257.00836	2.9
258.01447	0.9
260.21289	0.6
275.01999	5.7
283.21930	0.5
283.99646	3.9
299.99048	3.2
300.99878	100.0
302.00201	8.4
462.25616	0.6
466.20737	0.5
481.06195	4.5
513.08600	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	513.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72110	0.3
59.01037	0.2
59.01246	2.1
69.47379	0.6
69.47791	1.3
71.01240	1.0
71.17612	0.2
78.95748	0.5
85.02814	0.6
89.02319	0.5
94.92390	0.4
96.96806	0.6
98.99008	0.2
101.02349	0.4
102.13581	0.2
125.02357	0.5
129.03372	0.3
133.01257	0.2
133.02885	0.4
145.02843	0.9
157.02856	0.7
161.02312	0.4
163.03903	0.5
169.01370	0.5
170.90117	0.4
171.00627	0.3
173.02325	1.1
175.03825	0.3
185.02379	2.1
186.02600	0.4
189.01802	0.3
190.99733	0.2
191.03426	0.6
191.05235	0.3
201.01892	2.2
203.03435	0.9
209.03014	0.6
213.01868	0.5
217.01343	0.8
219.02957	0.4
228.00520	0.2
229.01375	4.6
230.01683	0.4
231.02971	0.5
245.00751	1.4
247.02409	0.4
249.03969	0.3
257.00891	2.8
258.01535	0.4
270.98575	0.3
273.00278	0.5
275.01984	6.2
283.99655	2.1
299.99005	2.5
300.99875	100.0
302.00217	8.8
438.50394	0.2
481.06128	3.3
482.05667	0.3
513.08496	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	511.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01251	100.0
60.01585	0.6
61.98705	2.3
62.62473	0.5
71.01255	5.7
71.56804	0.4
72.36072	0.4
73.02822	2.4
77.12323	0.5
79.95605	1.3
80.96409	0.9
83.01263	0.7
85.02821	2.4
87.04396	11.0
88.04736	2.8
89.02338	0.8
89.04841	1.0
96.95924	1.0
99.00790	0.6
101.02333	4.2
113.02345	2.2
125.02336	1.1
143.03421	0.5
159.02884	0.5
161.04442	3.6
169.01375	1.1
258.25211	0.5
276.33368	0.5
289.17770	0.7
299.99045	0.5
337.56305	0.5
451.27203	5.3
452.27359	0.6
481.17578	0.5
511.13199	0.5
511.26889	2.4
512.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2547
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01759	5.6
55.55373	0.4
57.03325	4.5
58.00467	3.2
59.01249	98.9
60.01583	1.5
61.98689	0.9
62.18918	0.5
63.59899	0.5
68.99658	0.6
69.03332	3.3
69.32141	1.6
69.32555	3.8
71.01250	100.0
72.01601	1.8
72.99172	4.7
73.02813	38.5
75.00751	2.0
79.95604	0.9
81.03335	1.5
83.01257	13.3
84.02040	0.9
85.02820	40.0
85.99957	0.6
86.03172	0.8
87.00751	5.1
89.02310	58.9
90.02676	0.7
95.01253	6.4
96.95898	1.1
97.02821	4.4
99.00752	25.5
99.04414	1.0
101.02317	70.8
102.02676	1.9
111.00757	2.0
113.02328	29.4
114.02707	0.8
115.03904	2.8
119.03388	9.8
123.78447	0.6
125.02330	9.6
127.03879	0.9
128.36197	0.5
129.01816	1.1
131.03383	13.7
143.03386	4.1
149.04451	31.0
150.04823	0.6
159.02881	4.8
161.04459	28.9
162.04842	0.7
179.05550	1.7
179.57217	0.6
191.05518	11.5
205.03444	1.4
217.15915	2.0
221.06587	0.5
233.06622	5.9
251.07750	1.8
270.98782	0.7
293.08826	3.0
298.98334	0.8
299.99023	4.1
333.98602	0.5
379.21210	41.3
380.21530	6.7
395.84711	0.6
423.20413	1.4
451.25580	1.1
500.82092	0.6
511.25424	65.3
512.25708	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	511.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.1
59.01250	13.8
59.12612	0.2
61.98704	1.6
67.01763	0.3
69.03342	1.1
71.01260	2.6
71.56750	0.3
72.99178	0.2
73.02818	0.4
75.00755	1.4
79.01769	0.3
79.95596	0.3
80.96397	0.4
81.03336	0.5
83.01246	0.4
83.04877	0.5
83.85590	0.2
85.02834	0.7
87.00740	0.5
89.02312	2.2
95.01250	0.7
95.04920	0.2
96.95918	0.6
97.02844	1.2
97.06463	0.8
99.00742	0.3
99.49926	0.2
101.02325	1.2
107.01269	15.7
108.01583	0.4
111.00764	0.4
113.02298	1.1
119.03388	0.8
123.00761	1.2
123.07999	0.5
124.01544	1.0
125.02335	60.0
126.02685	1.9
135.04422	0.2
137.09616	0.2
139.00279	0.6
139.03912	0.7
140.01112	0.3
141.01773	0.4
145.02843	0.4
149.09607	0.2
151.00287	0.2
151.07524	0.3
156.61151	0.2
159.06541	1.2
161.04457	0.8
164.08282	0.3
165.09103	2.6
168.00546	1.0
169.01334	100.0
170.01677	3.5
179.05534	0.4
183.02913	3.4
188.04568	0.2
189.12753	0.5
201.12766	0.9
205.12225	0.6
219.13834	0.7
231.13826	0.4
247.16914	0.2
251.12975	0.2
255.10204	0.3
264.19012	0.2
269.08316	0.3
270.98853	0.3
271.17007	0.9
283.09680	1.9
289.18097	7.7
290.18390	0.4
299.99222	0.3
311.09225	3.9
312.09897	0.6
314.11526	0.4
325.10703	0.3
326.11652	2.0
327.12131	0.6
341.13895	1.9
361.93393	0.2
384.04233	0.3
435.07327	0.7
435.57327	0.4
451.23196	0.6
511.16064	17.5
512.16394	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	511.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78009	4.5
69.94073	21.6
98.19941	5.9
110.28725	4.5
111.00793	5.3
114.22996	4.5
117.03332	4.9
123.00721	5.7
125.02335	16.2
137.02345	6.0
139.00250	4.3
145.02859	9.4
147.04424	16.3
161.02330	11.9
163.03928	9.3
166.99763	9.2
169.01346	16.1
173.02400	14.6
175.03929	10.5
177.01822	8.9
178.99797	4.6
189.01868	17.3
190.02588	13.0
191.03418	51.0
193.01155	5.0
201.01865	10.1
203.03358	9.5
203.66197	4.4
205.01466	5.1
209.00876	7.8
217.01363	23.6
219.02931	24.2
229.01311	14.1
235.02412	14.4
245.00932	23.9
245.14479	3.9
247.02449	100.0
248.02800	8.8
263.01901	8.0
270.98785	10.7
273.00378	74.4
274.00766	7.1
291.01526	43.3
292.01666	5.1
298.98352	12.3
300.99902	13.0
387.35361	4.2
391.06769	6.2
407.06091	5.6
411.09430	10.5
417.04803	12.3
435.05515	37.1
436.06186	6.3
439.09024	4.8
449.07074	5.7
467.08157	20.9
485.33331	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01595	1.0
61.98693	0.5
65.12804	0.2
70.59473	0.7
75.12622	0.2
79.33750	0.2
79.95607	0.3
80.96403	0.5
96.95897	0.4
101.02341	0.3
120.61286	0.3
131.03384	1.3
143.40671	0.2
253.36855	0.2
290.97177	0.3
298.15039	0.2
311.16388	0.3
345.14948	1.0
350.82233	0.2
380.72650	0.3
380.77927	0.2
427.12439	0.8
449.29312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01185	1.3
61.98624	32.2
61.98975	3.5
64.82861	0.6
107.08736	0.7
111.95696	0.6
125.02277	0.8
140.98990	0.6
152.14674	0.6
164.00990	0.6
169.78496	0.7
226.90208	0.7
227.03311	1.1
241.64452	0.6
243.02963	3.9
244.03445	0.8
246.65550	0.7
254.02054	1.1
255.02953	13.5
256.03259	0.7
271.02454	26.8
272.02930	2.6
299.01965	6.3
300.02731	100.0
301.03082	9.3
315.05096	87.3
316.05383	7.4
352.95105	0.8
424.34213	0.7
432.07028	1.4
447.09305	62.0
448.09717	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47782	0.2
55.01746	0.4
57.03321	0.7
59.01250	7.7
61.18446	0.3
61.98690	1.1
69.03338	0.5
71.01252	10.9
71.56870	0.4
72.24870	0.2
72.99184	0.6
73.02812	3.9
75.00724	0.7
77.73188	0.3
78.95774	0.3
79.95609	0.7
80.96413	0.4
81.03335	0.5
83.01248	1.4
85.02820	4.1
86.35692	0.3
87.00761	1.3
87.04388	100.0
88.04724	2.2
89.02319	4.0
93.03354	0.3
95.01283	0.5
95.04830	0.3
96.95894	0.3
97.02805	1.3
99.00748	2.5
101.02320	5.9
102.02711	0.4
109.02825	1.3
111.00739	0.6
113.02345	2.8
114.02677	0.4
115.03851	0.6
119.03429	0.5
123.04420	0.4
124.01495	0.3
125.02345	2.3
131.03383	1.1
137.02347	3.3
143.03419	0.9
145.12216	0.6
149.04453	0.5
150.06758	1.2
151.00217	0.3
151.07501	0.3
161.04437	1.6
161.98367	0.3
163.00249	0.9
164.01004	1.2
165.01857	3.3
169.01282	0.5
169.04973	0.3
175.75087	0.3
177.01849	0.5
178.99748	0.9
181.01320	0.3
202.99799	0.4
205.07083	0.7
206.99300	0.6
208.00055	5.2
209.00839	4.9
210.01260	0.3
213.14867	0.8
221.00919	0.5
233.06612	0.9
246.98819	2.3
275.07721	0.6
289.16449	1.1
293.08383	0.3
307.17548	0.4
357.09854	0.4
377.21826	2.8
378.21878	0.4
421.20743	7.3
422.21338	1.0
433.11206	1.2
439.21707	1.4
449.24182	0.5
449.30872	0.3
465.14059	0.6
508.35587	0.9
509.25983	22.8
509.35214	4.5
510.26367	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47782	0.2
55.01746	0.4
57.03321	0.7
59.01250	7.7
61.18446	0.3
61.98690	1.1
69.03338	0.5
71.01252	10.9
71.56870	0.4
72.24870	0.2
72.99184	0.6
73.02812	3.9
75.00724	0.7
77.73188	0.3
78.95774	0.3
79.95609	0.7
80.96413	0.4
81.03335	0.5
83.01248	1.4
85.02820	4.1
86.35692	0.3
87.00761	1.3
87.04388	100.0
88.04724	2.2
89.02319	4.0
93.03354	0.3
95.01283	0.5
95.04830	0.3
96.95894	0.3
97.02805	1.3
99.00748	2.5
101.02320	5.9
102.02711	0.4
109.02825	1.3
111.00739	0.6
113.02345	2.8
114.02677	0.4
115.03851	0.6
119.03429	0.5
123.04420	0.4
124.01495	0.3
125.02345	2.3
131.03383	1.1
137.02347	3.3
143.03419	0.9
145.12216	0.6
149.04453	0.5
150.06758	1.2
151.00217	0.3
151.07501	0.3
161.04437	1.6
161.98367	0.3
163.00249	0.9
164.01004	1.2
165.01857	3.3
169.01282	0.5
169.04973	0.3
175.75087	0.3
177.01849	0.5
178.99748	0.9
181.01320	0.3
202.99799	0.4
205.07083	0.7
206.99300	0.6
208.00055	5.2
209.00839	4.9
210.01260	0.3
213.14867	0.8
221.00919	0.5
233.06612	0.9
246.98819	2.3
275.07721	0.6
289.16449	1.1
293.08383	0.3
307.17548	0.4
357.09854	0.4
377.21826	2.8
378.21878	0.4
421.20743	7.3
422.21338	1.0
433.11206	1.2
439.21707	1.4
449.24182	0.5
449.30872	0.3
465.14059	0.6
508.35587	0.9
509.25983	22.8
509.35214	4.5
510.26367	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	509.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.9
57.03319	2.8
59.01249	23.1
65.31956	0.8
66.99820	0.7
67.01781	0.8
69.03314	1.7
69.69682	5.1
71.01250	37.0
72.99174	1.8
73.02811	7.4
75.00720	1.0
79.95604	1.8
83.01247	5.8
83.04910	1.9
85.02818	16.1
85.99952	1.3
87.00741	6.0
89.02310	13.0
90.02625	0.8
95.01250	5.5
95.04887	1.3
96.95914	1.5
97.02837	1.9
98.20490	1.5
99.00755	4.9
101.02320	20.9
107.01304	4.1
108.02069	1.0
109.02866	2.0
111.00745	2.7
113.02332	15.8
117.03366	0.8
119.03400	5.3
119.04946	1.4
121.06483	1.5
123.00764	2.9
123.08047	22.7
124.08391	0.9
125.02327	13.9
126.02677	1.3
127.00250	1.1
131.01247	1.0
135.08066	5.9
137.09648	4.8
139.00287	1.6
139.07530	2.7
143.03415	0.9
149.05942	1.1
149.09641	4.1
150.06761	1.7
151.00313	0.8
151.07542	2.3
151.11177	1.4
153.09102	1.1
159.00807	0.9
159.02855	1.9
161.02325	2.5
161.04453	10.9
163.00237	1.1
163.07549	1.7
164.08327	1.9
165.09114	27.6
166.99779	2.0
167.10683	35.6
168.11009	2.5
169.01338	16.1
171.00854	0.9
172.01573	1.0
173.02388	1.2
175.03952	1.9
177.01869	1.2
177.09129	0.8
179.03362	1.4
179.05522	1.1
179.07048	2.9
179.10614	2.1
185.02435	1.2
187.00275	2.5
188.01132	1.2
189.01892	2.5
190.02734	0.9
191.03380	1.0
201.01855	1.1
202.99799	0.9
203.03542	1.2
213.01736	0.8
214.99829	1.9
216.00510	1.0
217.01250	1.8
219.02965	2.5
229.01549	1.0
230.99252	1.8
232.00040	1.0
239.12852	2.6
243.99959	1.2
245.00798	2.4
247.02475	5.0
248.03200	1.2
250.45645	0.8
257.01074	0.9
258.98813	6.9
259.99234	0.9
261.04144	1.3
273.00385	3.1
275.01968	4.1
290.00662	3.4
291.01459	4.0
299.99008	1.9
300.99930	7.7
302.00208	1.4
302.12485	0.9
303.19598	8.5
307.04712	1.3
322.98090	1.3
329.16028	100.0
330.16373	10.1
333.02441	2.2
347.18604	10.0
347.24554	1.3
348.18945	1.0
350.02875	1.4
351.03528	4.7
449.27390	1.3
465.24988	1.2
509.09534	5.9
509.17032	1.3
509.23239	10.0
509.30457	5.5
510.23526	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	509.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03314	4.1
59.01248	6.4
65.00189	2.4
67.57561	0.8
69.03334	1.1
69.41402	5.3
69.41812	2.3
71.01244	6.8
72.99184	1.0
73.02793	1.8
75.00745	2.1
75.02247	1.0
81.03301	1.0
83.01239	2.0
84.02051	1.8
85.02821	35.7
89.02306	3.2
93.68883	0.9
95.01262	11.0
96.99165	1.0
97.02802	1.8
98.19795	2.0
99.00746	1.9
101.02322	4.2
103.01808	1.0
107.01260	2.3
109.02788	1.6
111.00713	1.8
112.01547	2.6
113.02327	21.5
113.03919	1.0
115.01769	1.2
117.03349	3.4
119.01256	5.1
119.04929	1.4
121.02853	1.2
123.00741	2.9
123.04387	1.2
125.02348	5.8
127.00231	1.5
127.03890	1.0
130.00510	1.0
130.04112	0.9
131.01291	9.3
132.02052	2.5
133.02831	3.0
135.00781	2.2
135.04387	1.4
136.01514	1.1
138.01016	0.8
139.00224	1.5
141.03326	1.2
141.14261	0.9
142.02637	2.6
143.01271	2.6
145.02850	6.7
146.03488	1.2
147.00752	3.8
147.04378	4.0
148.01598	1.7
148.95168	0.9
149.02289	3.4
151.00313	1.4
157.02838	1.1
157.04958	1.6
157.99901	1.3
158.03697	1.0
159.00854	7.3
160.01524	3.3
161.02347	18.4
161.04440	1.2
162.03040	1.5
163.00266	4.8
163.03886	2.0
164.01117	1.5
166.99802	1.0
169.01364	5.2
171.00761	1.6
172.01512	1.4
173.02376	5.2
173.99498	1.4
174.03065	1.8
175.00298	3.1
175.03923	18.3
176.01079	3.2
177.01845	4.8
177.05504	2.3
178.99756	1.0
185.02286	5.6
185.99522	2.2
186.03136	4.9
187.00284	29.0
188.01027	4.4
189.01857	9.0
190.02594	3.2
190.99771	2.2
191.03430	5.1
199.00197	1.3
200.01106	1.7
201.01801	2.7
201.99004	3.7
202.99837	4.6
203.03447	7.7
204.00529	1.8
205.01335	4.0
205.04961	1.5
213.01862	3.5
213.99049	1.5
214.99782	16.4
215.03134	1.2
216.00552	10.0
217.01331	5.9
218.02118	2.1
219.02905	18.9
220.03667	6.7
221.04385	1.2
229.01396	1.7
229.98524	4.2
230.02118	9.0
230.99324	12.6
231.02831	3.0
232.00044	11.4
233.00725	3.0
234.01749	2.1
234.05159	1.2
241.98593	2.5
242.01973	1.1
242.99283	2.3
244.00072	1.2
245.00859	3.6
245.04472	6.8
246.01677	8.1
247.02420	33.7
248.03207	16.2
249.03941	5.1
253.09355	1.7
257.97998	2.2
258.01755	5.1
258.98816	76.3
259.99368	9.4
261.00305	1.2
261.03949	1.1
262.04797	4.9
263.01981	1.1
264.02805	1.1
273.00363	2.2
273.17111	6.5
274.01245	5.5
275.01971	47.0
276.02283	3.7
277.03568	1.0
278.04294	8.9
279.05051	14.7
290.00687	34.9
291.01431	49.8
292.01859	3.9
300.99921	3.3
305.02966	2.8
306.03760	2.7
307.04562	23.7
308.05075	1.4
319.00964	22.3
320.01389	2.1
323.04080	13.2
332.01697	2.3
333.02496	46.7
334.02982	5.8
347.04041	1.9
350.02765	29.3
351.03543	79.0
352.03925	6.1
365.05136	5.6
371.04199	1.6
386.28412	0.9
403.06494	2.7
477.06686	2.8
509.09341	100.0
509.29504	5.7
510.09674	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	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.3
57.03324	3.6
58.00459	1.1
59.01250	20.0
60.01585	0.3
61.98701	0.5
62.70679	0.3
68.99680	0.5
69.03333	1.0
69.33320	1.5
69.33750	1.3
71.01253	34.3
72.01594	0.4
72.99175	1.7
73.02817	13.4
75.00744	1.1
79.19380	0.3
79.95628	0.3
83.01257	7.8
84.77415	0.3
85.02822	20.6
85.99978	0.8
86.03154	0.4
87.00750	2.1
89.02313	3.0
95.01262	3.3
96.37492	0.3
96.95982	0.3
97.02835	1.1
98.19819	0.5
99.00761	6.0
101.02322	28.0
102.02639	0.9
110.82977	0.3
111.00761	5.4
111.08035	0.3
113.02329	13.6
114.02667	0.5
119.03374	0.8
125.02319	1.2
125.89210	0.3
129.01839	1.5
131.03415	0.5
141.01802	0.4
143.03386	0.8
155.10719	0.4
159.02887	3.6
159.37579	0.3
161.03185	0.6
161.04463	8.6
161.05818	0.5
169.01308	0.5
171.13814	1.1
185.15392	0.7
205.03430	0.4
206.08501	0.3
209.11874	0.4
213.18501	0.3
279.23270	0.5
299.14728	0.3
299.25851	2.9
314.36548	0.3
345.30096	9.6
346.30460	0.8
447.29758	0.4
507.35397	100.0
508.35773	15.8
531.00012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.3
57.03317	4.6
58.00449	1.6
59.01249	34.0
63.96098	0.6
64.85316	0.7
69.03345	0.9
71.01250	46.9
71.56696	0.7
72.99167	2.4
73.02821	11.0
75.00756	1.3
79.95608	5.6
80.96368	1.2
83.01247	7.1
84.02025	0.7
85.02827	20.5
86.06447	0.7
87.00743	3.4
89.02315	17.3
95.01260	3.9
95.95110	1.5
96.95878	12.5
97.02819	1.8
97.06482	0.8
99.00757	5.6
101.02323	35.4
102.02657	0.9
111.00718	1.3
113.02329	18.6
114.02650	0.9
115.92010	0.7
119.03409	6.5
125.02320	1.1
129.01849	1.4
131.03386	1.2
143.03369	1.4
143.10721	0.7
146.06021	0.7
153.09079	0.8
155.14310	1.9
159.02928	3.3
161.04460	10.3
163.07430	0.6
172.10857	1.3
178.63046	0.6
179.05553	1.7
185.15425	1.2
187.13239	0.8
198.98035	0.7
205.03479	0.7
217.14296	0.8
299.25922	0.7
343.28506	1.5
345.30057	23.6
346.30551	1.9
401.21820	2.7
417.27991	0.8
494.55423	0.8
501.70325	0.7
506.71671	1.2
507.18924	3.8
507.26855	7.1
507.35330	100.0
507.70889	1.6
508.27942	1.0
508.35654	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15238	0.4
58.18255	0.3
59.01250	3.6
69.34847	1.7
69.35271	1.8
78.95776	9.1
79.95591	0.5
96.96837	0.7
133.56964	0.4
152.99493	14.8
171.00539	1.3
187.11945	0.4
227.03259	2.6
245.04211	1.7
257.22443	0.3
279.23288	100.0
280.23627	10.6
330.32440	0.4
507.27255	26.7
508.27661	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	507.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.3
59.01250	39.4
65.54935	4.3
69.39086	37.7
71.01247	38.5
73.02818	13.5
79.95610	20.0
85.02834	14.0
89.02307	10.6
96.95902	19.3
99.00778	4.8
101.02332	25.1
107.50320	4.4
111.08005	6.2
113.02311	10.2
114.07549	4.9
125.02369	5.1
148.29329	4.5
148.98233	4.9
155.41701	5.3
161.04501	7.4
169.12222	4.5
197.11755	45.8
206.99338	6.0
247.01813	5.1
248.14102	4.5
291.19638	6.3
302.03479	5.4
309.20712	100.0
310.21039	11.4
345.29907	6.7
507.22690	4.9
507.35318	60.0
508.35495	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	507.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25195	11.6
59.01256	34.4
71.01255	20.3
71.55122	14.9
71.55501	20.1
85.02869	15.9
89.02287	29.8
93.03352	11.7
95.01291	15.8
97.21290	12.6
100.76937	11.8
101.02342	24.0
108.38281	11.3
125.02309	12.3
129.08351	11.3
132.02020	27.9
145.02859	28.1
160.01550	21.6
161.02332	17.6
176.01067	12.7
183.02850	13.6
189.01761	29.2
190.02715	17.1
195.63741	11.7
203.03464	13.3
204.00526	20.5
205.01231	21.0
205.98309	15.3
211.77573	13.8
216.00584	38.3
217.01285	38.6
218.02151	12.9
229.98473	16.1
232.00026	19.4
233.00708	13.1
242.99104	14.2
245.00839	27.2
247.02574	11.9
275.01898	50.4
277.03464	68.0
303.01459	81.3
319.00916	39.3
321.02527	59.5
323.13455	100.0
347.00372	44.2
365.01318	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03839	0.5
55.01750	1.0
57.03326	0.9
57.26515	0.5
58.00457	1.6
59.01250	30.9
61.98694	0.7
71.01251	22.7
71.04894	0.8
72.01581	0.6
72.99169	1.7
73.02833	2.7
75.00738	0.7
82.70045	0.5
83.01265	3.0
83.04856	0.6
85.02817	7.8
86.94215	0.5
87.00720	0.9
89.02319	13.1
95.01257	2.9
96.95885	1.9
97.02790	0.5
99.00737	1.4
101.02322	13.8
101.39891	0.5
102.84544	0.5
107.01292	0.8
113.02333	8.1
119.03373	3.9
123.00748	1.4
125.02351	2.8
150.76968	0.5
159.00705	0.6
161.04433	0.7
165.09099	0.6
167.10661	0.7
169.01352	3.9
181.08427	0.5
190.02695	0.6
191.03424	0.7
191.47647	0.5
193.05087	0.9
229.62311	0.5
242.02101	1.4
248.72412	0.6
258.01605	1.8
259.02225	0.7
271.02426	1.0
273.03998	0.9
286.01117	0.9
294.36447	0.5
301.00027	0.9
301.03482	1.7
315.01471	1.6
327.21732	1.0
329.02869	1.9
329.15869	0.6
330.03815	1.5
344.05246	3.3
345.06140	3.9
345.17087	5.4
345.22705	1.6
346.17142	0.8
391.26941	0.8
406.94977	0.5
447.25906	0.8
489.10562	2.7
507.11798	4.5
507.22220	100.0
507.28192	8.8
508.11517	0.8
508.22580	18.8
508.28687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
57.03298	0.5
59.01252	1.7
65.00197	0.7
69.41378	1.4
69.41801	1.8
71.01250	5.0
73.02826	2.0
83.01241	0.9
85.02821	3.3
91.01772	1.9
93.03335	1.3
95.01292	1.8
99.00765	0.6
101.02314	2.5
103.65747	0.4
113.02307	1.9
119.01276	7.1
119.04887	0.4
121.02834	4.3
123.00771	18.4
124.01559	35.7
125.02304	1.3
134.03668	0.9
135.04404	2.7
138.03128	5.9
139.00356	0.6
139.03914	12.6
140.04291	0.5
147.00780	5.5
147.04428	0.7
148.01479	0.7
149.02342	15.2
150.03096	2.0
151.00296	0.5
151.03899	0.7
152.01053	1.7
161.02295	1.0
161.04434	0.7
162.03101	0.9
163.03911	3.4
164.04691	10.3
165.01852	2.7
165.05276	0.6
166.02524	0.5
166.06261	3.7
167.06796	0.3
169.04929	0.5
175.00281	43.3
176.01021	5.5
177.01582	0.5
178.99762	0.4
179.07088	1.7
181.04945	0.8
181.08592	3.8
183.06381	0.4
188.17967	0.4
189.01855	1.6
190.02635	100.0
190.18999	0.4
191.03267	12.0
192.03862	0.6
193.01367	0.8
194.02077	0.6
195.02937	0.4
205.04997	93.8
206.05334	5.4
208.03729	1.8
209.04485	2.0
221.08138	0.4
223.06076	11.4
224.06419	0.7
247.06177	0.6
251.05484	0.4
316.02191	0.4
337.09268	0.9
353.08685	2.8
367.10309	23.3
368.10608	1.9
415.94220	0.4
453.00778	0.4
464.07858	0.4
484.62280	0.4
492.12735	1.2
507.15067	60.8
507.27643	1.9
508.15353	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	507.1143
Annotation	Myricetin 3',4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.61279	0.7
59.01253	8.5
60.83456	0.9
64.98824	0.8
65.00199	1.8
68.99670	1.1
69.52523	6.8
71.01248	7.1
72.99168	1.3
73.02825	2.0
79.95601	1.1
80.49408	0.8
83.01266	1.9
85.02826	3.1
89.02341	3.4
90.40104	0.9
95.01276	2.2
95.04900	3.5
96.95871	5.1
97.02882	1.4
99.00754	1.1
101.02297	4.7
105.51263	0.9
106.61443	0.8
107.01280	2.0
109.02839	0.9
111.00762	1.4
112.93632	1.1
113.02332	1.7
118.98012	1.2
119.01259	1.1
119.03377	1.0
119.04938	1.8
120.71169	0.8
121.02898	1.0
123.00781	2.3
123.04405	3.0
125.02332	3.2
131.01341	0.9
131.03416	1.0
132.02039	1.8
137.02339	1.0
145.02844	3.1
147.04434	1.6
151.00267	2.6
159.00793	1.6
159.04456	1.3
160.01579	4.7
161.02393	4.2
163.00305	3.0
163.03914	3.0
164.01082	1.4
165.05447	3.1
169.01381	6.8
171.00740	1.5
172.01555	3.5
173.02359	1.2
173.87543	0.8
174.03114	1.1
175.00247	1.1
175.03928	4.3
176.01059	2.2
177.01762	2.2
178.99780	1.5
186.24635	0.9
187.00299	6.1
187.03937	2.7
188.01117	2.6
189.01878	9.3
190.02600	2.5
190.99789	1.7
191.03242	1.3
193.01474	1.0
199.03915	1.1
201.01796	1.1
203.03430	11.0
204.04169	1.6
205.01347	4.5
206.99303	1.4
207.02991	2.3
209.00795	1.3
214.99792	8.7
215.03413	2.1
216.00562	23.7
217.01370	4.7
218.99260	1.1
219.02997	3.1
219.06580	5.9
222.07693	1.3
229.01434	1.0
230.02228	2.8
231.02914	6.1
232.00058	6.4
233.00877	2.3
233.16783	0.9
242.02237	3.5
242.99384	2.3
243.02975	5.8
245.00964	3.1
246.01410	1.5
246.98868	1.6
247.02490	8.5
248.03185	6.4
258.01752	2.6
259.02454	10.1
259.99615	27.8
260.02423	1.9
261.00092	2.7
263.01971	1.5
269.01041	2.0
270.01666	3.2
271.02490	12.1
273.00519	2.0
274.01279	2.4
275.01999	5.8
285.03830	1.3
286.01270	3.9
286.98383	4.8
287.01987	18.2
287.04962	1.7
287.99188	8.5
288.02151	1.7
288.99857	2.7
290.00562	1.1
292.02283	2.6
295.09760	0.9
298.01208	1.5
299.01822	1.2
301.00327	2.0
301.03500	3.2
303.01428	7.6
306.03757	2.7
307.04614	16.5
308.04993	1.3
314.97861	4.6
315.01419	48.7
316.01752	4.2
319.00986	8.6
325.03198	1.0
329.02957	19.1
330.03787	84.0
331.04175	8.2
335.04242	1.0
344.05130	1.4
345.06134	92.4
346.06415	7.0
347.00552	2.8
351.03479	4.8
353.06693	1.4
379.03104	3.4
379.15863	1.1
399.07190	1.0
419.13419	0.9
423.30731	0.9
431.09622	1.0
445.11542	3.0
463.12494	7.9
489.10245	3.4
490.10208	1.1
492.09229	2.4
506.23294	5.2
506.29742	1.4
507.11459	100.0
507.22919	2.6
507.29001	4.1
508.11655	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	507.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.2
67.01763	0.4
68.99670	0.2
69.03323	1.9
70.91911	0.5
71.01251	1.2
72.99182	0.3
73.02829	0.2
73.27521	0.2
75.13047	0.2
79.01765	0.2
80.96413	0.3
81.03333	0.6
83.01266	0.4
85.02808	0.3
88.98710	0.3
89.02316	0.5
93.03313	0.3
95.01270	0.8
96.95882	0.2
97.02827	1.7
101.02321	0.6
107.01302	0.3
108.02110	0.2
111.45762	0.2
113.02335	0.3
119.03378	0.2
120.82900	0.2
121.02843	0.4
123.00803	1.0
123.04366	0.3
124.01550	1.2
125.02335	60.9
126.02666	1.8
134.03650	0.4
137.02353	0.4
139.00261	0.5
139.03911	0.2
145.02806	0.2
149.02307	0.3
149.99492	0.5
150.03065	0.3
151.00278	0.4
160.01541	0.7
161.02310	0.2
163.03922	0.3
166.99783	0.3
168.00600	1.3
169.01338	100.0
170.01675	3.4
175.03891	0.9
177.01918	0.2
187.00304	0.2
193.04958	0.5
194.41585	0.2
214.99840	0.2
225.11362	0.2
258.01620	0.3
301.00110	0.4
301.03485	0.3
313.05600	0.4
320.23566	0.2
329.02991	0.6
330.03464	0.4
331.06940	0.4
337.09113	0.2
344.05304	0.4
345.06134	0.5
423.39627	0.2
477.17694	0.3
503.66312	0.2
507.11606	3.8
507.19757	0.7
507.27789	0.6
508.11563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
64.67550	0.5
69.97672	0.5
70.04374	3.0
71.01251	0.6
80.39055	0.5
87.69279	0.5
89.33036	0.5
100.48566	0.5
107.01282	1.4
117.69660	0.5
118.97959	1.5
125.02347	1.9
131.37035	0.5
139.00249	0.7
151.00327	2.7
160.01689	0.7
163.00237	0.7
166.85297	0.6
169.01340	2.3
174.03162	0.6
177.01863	0.8
178.99779	1.4
182.82504	0.5
194.00877	1.0
201.01797	0.9
202.02696	1.7
213.01901	1.7
215.03313	0.8
217.01320	2.6
229.01379	1.9
230.02118	4.1
241.01398	10.4
242.02141	22.8
243.02890	4.5
245.00887	2.1
246.01730	0.7
257.00961	3.3
258.01648	22.3
259.02359	2.3
269.00900	4.2
270.01675	9.1
270.04309	0.9
271.02448	3.2
272.03229	5.3
273.00629	2.1
273.04010	30.2
274.01459	0.8
274.04529	1.9
285.00464	1.4
286.01178	14.1
287.01926	3.4
287.05664	6.3
289.03543	1.0
299.02072	1.0
300.02728	1.8
300.99954	2.3
301.03470	27.0
302.00839	1.1
302.03955	2.0
314.00760	1.9
315.01532	5.1
315.05197	4.9
316.02182	2.3
316.05933	9.4
317.02881	1.6
317.06381	1.1
327.01526	0.9
328.99365	1.3
329.02939	12.3
330.03598	4.4
331.04367	0.9
344.05322	44.5
345.02414	2.5
345.06033	14.3
346.06592	1.2
347.04114	0.8
387.07278	1.7
492.05121	0.7
507.11572	100.0
508.12051	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	506.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	1.5
59.01250	3.5
60.46994	1.1
71.00893	1.6
71.01257	20.9
71.56429	1.8
74.02372	1.2
81.52013	1.2
88.03909	51.9
89.02288	2.2
89.04240	2.1
102.98405	1.1
107.01267	3.6
108.02032	1.4
111.00727	2.6
115.00251	26.4
117.03320	1.3
121.02875	7.0
122.03594	3.4
123.00767	3.5
123.04419	5.7
125.02345	11.3
132.02917	12.4
133.02817	1.9
134.03621	5.5
135.04410	7.8
136.05132	2.5
137.02319	2.2
138.03062	1.4
139.00233	2.4
145.02835	5.6
146.03641	1.7
149.02341	27.2
149.05971	6.6
150.03136	32.7
151.03906	8.8
160.01476	1.2
161.02327	2.2
161.05853	1.2
164.04724	9.7
165.05470	27.9
166.99782	1.8
167.03238	1.3
169.01306	14.2
176.00981	1.6
177.01839	1.4
179.05823	10.0
180.04207	1.9
180.06596	7.0
181.04918	3.4
185.02298	1.1
189.01900	2.0
194.08138	11.3
195.06567	11.9
201.01913	1.4
212.61418	1.4
213.39673	1.4
217.01358	1.4
220.09732	1.2
229.01363	1.6
234.07689	1.5
241.04935	2.0
245.00699	1.8
266.10333	2.4
273.00366	2.0
275.01917	3.3
283.09717	2.5
285.04095	5.1
291.01413	1.9
293.03195	1.7
298.10852	1.3
300.99863	9.5
302.00034	1.4
303.01422	2.4
304.01877	3.1
309.08423	6.9
311.09271	2.4
313.05502	1.8
325.10855	2.2
327.11069	7.2
328.11896	3.7
339.12314	2.4
342.13425	18.4
343.11655	15.7
344.11978	1.8
347.00494	3.0
371.09940	2.0
376.14108	1.8
382.12473	1.7
390.15543	6.6
391.14005	22.0
392.14288	2.6
414.15527	6.0
426.15555	3.5
444.16531	2.4
488.15646	1.4
506.16641	100.0
507.11154	1.7
507.17157	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.5
57.03321	4.1
58.00461	1.1
59.01250	26.9
69.03332	0.5
69.56490	1.5
69.56915	0.7
71.01251	53.1
71.04887	0.6
72.01604	0.7
72.99178	1.9
73.02815	15.2
74.03177	0.3
75.00751	1.0
83.01257	8.7
84.02032	0.5
85.02821	27.5
85.99953	1.0
86.03150	0.4
87.00750	2.2
89.02318	10.4
91.59491	0.3
95.01263	4.7
97.02830	1.5
99.00759	6.3
101.02320	35.5
102.02630	0.6
109.06413	0.3
111.00761	3.9
113.02329	24.1
114.02687	0.7
119.03395	3.7
121.10110	3.3
125.02325	2.3
129.01828	0.8
131.03401	0.7
141.01805	0.6
141.12643	0.3
143.03387	2.4
149.04425	0.3
159.02896	4.7
161.04462	18.9
162.04831	0.5
166.59186	0.3
169.01347	0.9
179.05530	0.9
184.43213	0.3
185.15413	2.7
205.03484	0.6
209.11868	0.4
239.20230	0.4
274.94855	0.3
289.87918	0.3
313.27518	0.5
325.23929	0.5
341.27417	0.3
343.24988	0.6
343.28549	6.2
343.32770	0.3
344.28986	0.7
347.20764	3.0
475.32822	1.5
503.32529	0.6
505.33926	100.0
506.34277	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	505.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.2
55.29801	0.3
56.96421	0.3
57.03326	5.2
58.00465	1.3
59.01252	27.3
60.49221	0.3
61.98698	0.5
69.03328	1.0
69.29964	3.3
71.01254	61.9
72.01606	0.7
72.99190	2.3
73.02820	17.0
75.00741	1.1
75.42108	0.4
81.03340	0.5
83.01262	7.7
85.02824	28.4
85.99974	1.1
86.03165	0.4
87.00753	2.7
89.02320	11.3
95.01260	5.1
96.61687	0.3
96.95903	0.4
97.02831	1.6
98.20546	0.6
99.00752	6.9
99.01350	0.6
101.02322	38.4
102.02693	0.5
104.60789	0.3
108.80787	0.3
111.00761	4.3
113.02328	23.2
114.02668	0.4
119.03394	4.2
121.10119	0.4
123.00793	0.3
125.02348	2.3
129.01814	1.1
131.03334	0.5
135.30623	0.3
137.09572	0.3
137.37956	0.3
139.00317	0.3
141.01799	0.7
143.03424	2.4
159.02905	5.7
161.04462	20.5
162.04831	0.5
169.01344	1.3
179.05547	0.9
187.68622	0.3
205.03455	1.1
209.11783	0.5
213.18668	0.6
279.23306	1.6
284.45743	0.3
297.24524	0.7
343.24966	0.4
343.28519	9.5
343.32712	0.5
344.28860	1.1
347.20581	0.5
401.11996	0.3
505.33865	100.0
506.34158	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	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23869	0.3
55.01760	4.2
57.03323	4.4
57.58167	0.3
58.00460	1.0
59.01249	20.6
59.69407	0.3
63.07467	0.3
69.03332	0.7
69.33530	1.3
69.33958	1.8
71.01250	41.1
71.04881	0.4
72.01592	0.8
72.99184	2.0
73.02817	15.3
75.00744	1.2
76.53843	0.3
83.00745	0.4
83.01250	8.8
85.02821	24.8
85.06460	0.4
85.99978	1.2
86.03139	0.6
87.00751	2.1
88.16298	0.3
89.02306	4.3
93.03352	0.4
95.01261	4.1
97.02842	1.3
99.00756	6.1
101.02323	32.7
101.49561	0.3
102.02599	0.6
111.00764	4.7
113.02330	17.6
114.02664	0.5
115.37170	0.3
119.03374	1.3
121.10114	1.1
123.00785	0.3
125.02333	1.1
129.01817	1.3
131.03418	0.7
141.01830	0.8
143.03372	1.5
146.10435	0.4
159.02901	4.1
161.04463	11.0
162.04742	0.3
162.11238	0.3
168.37843	0.3
169.01418	0.5
171.13812	0.4
185.15376	1.0
209.11876	0.6
213.18503	0.9
225.18546	0.4
267.94373	0.3
279.23248	1.7
297.24405	0.6
325.27469	0.4
343.28485	10.4
343.32709	0.6
344.28787	0.9
347.20770	0.8
475.32462	0.6
505.33820	100.0
506.34174	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.9
57.03328	6.0
58.00473	6.1
59.01251	81.2
60.01611	1.0
61.98700	0.9
69.03334	3.9
69.35688	1.5
69.36093	4.1
71.01254	100.0
71.04902	3.3
72.01603	1.2
72.99183	6.6
73.02819	15.3
74.03152	0.6
75.00767	1.6
78.95770	1.4
79.95612	2.6
81.03365	0.8
83.01261	7.7
83.04899	1.0
84.02041	0.5
85.02824	31.2
87.00755	3.9
87.04388	12.9
89.02319	72.1
90.02667	1.6
95.01265	6.8
96.95908	3.4
97.02834	1.7
97.06475	2.1
98.19734	1.2
99.00765	5.1
101.02323	66.9
102.02666	1.5
109.06447	0.8
111.08032	1.2
113.02333	40.6
114.02657	1.0
116.90867	0.7
119.03390	36.1
121.10138	2.2
125.02335	2.1
125.09645	1.6
129.01868	0.9
131.03397	3.6
137.09648	1.7
141.12764	5.1
143.03416	8.1
146.86157	0.6
149.04456	3.0
152.07875	0.6
153.12740	1.5
155.10701	1.4
155.14325	5.5
159.02917	4.4
161.04468	26.1
162.04805	1.0
179.05537	14.3
183.13863	2.3
185.11803	0.9
185.15405	4.9
199.13406	1.8
201.14906	3.0
205.03433	0.7
255.23276	9.8
267.26926	0.7
283.26443	1.4
295.26474	6.1
296.26703	0.9
297.27963	11.0
298.28427	1.0
307.26358	5.3
325.27484	23.4
326.27875	2.3
337.27441	1.1
343.28516	43.0
344.28708	4.2
447.13242	3.5
448.85056	0.7
505.33878	34.0
506.20282	1.4
506.34155	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	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02701	0.3
55.01754	1.6
57.03318	1.7
58.00460	1.2
59.01250	20.2
62.52918	0.4
69.03311	0.8
71.01250	18.4
71.36480	0.7
72.01574	0.4
72.99174	1.4
73.02814	5.8
74.86335	0.3
83.01248	3.9
84.39193	0.3
85.02821	7.8
85.99966	0.7
87.00751	1.8
89.02317	7.8
95.01253	0.7
97.02837	0.8
99.00755	1.4
99.04392	0.4
100.49873	0.3
101.02322	13.0
108.33109	0.4
111.00755	2.2
113.02324	5.3
115.03906	0.5
119.03390	1.2
121.02815	0.4
123.00770	0.6
125.02332	1.4
131.03395	3.9
137.02312	0.4
143.03500	0.6
149.04459	0.7
151.00250	0.4
155.63463	0.3
161.04477	0.8
163.70123	0.3
173.57574	0.4
211.13312	1.8
227.03476	0.8
255.02946	1.1
257.04501	3.9
258.04965	0.4
271.02576	0.5
283.02457	0.9
301.00162	0.6
301.03482	4.3
329.19730	0.6
355.17603	0.6
373.18750	3.7
374.18713	0.4
487.21960	0.5
505.22885	100.0
506.23193	15.7
506.30701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
57.06499	0.4
59.01246	2.1
69.28723	2.7
69.29147	1.7
78.95773	29.8
96.96845	1.9
98.19797	0.6
150.98012	0.8
152.99486	43.3
153.99802	0.6
171.00528	2.2
227.03186	6.3
233.22707	0.6
245.04253	1.2
259.20700	0.5
275.20187	0.7
277.21707	100.0
278.19006	0.6
278.22058	10.0
279.23260	1.3
280.23550	2.1
413.20746	1.0
434.94873	0.4
505.25705	58.6
506.26016	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.8
57.03313	1.5
58.00443	0.8
59.01250	15.1
66.27821	0.4
69.03335	0.6
70.96474	1.1
71.01250	14.7
72.99166	1.0
73.02818	7.9
75.00741	0.5
81.03362	0.4
83.01252	3.7
84.28762	0.3
85.02818	7.6
85.99977	1.2
87.00751	1.4
88.03887	0.4
89.02313	4.7
95.01249	1.1
97.02821	1.3
99.00772	2.4
99.04383	0.5
101.02316	15.1
111.00738	1.1
113.02329	5.4
115.03919	0.7
119.03353	1.5
125.02325	1.3
129.08846	0.4
131.03374	1.0
137.98631	0.4
143.03409	0.6
146.44072	0.4
149.04439	0.4
159.02834	0.8
161.04433	1.1
165.69206	0.4
169.01324	0.4
205.04962	0.5
211.13347	2.1
224.68547	0.4
225.08612	0.4
322.75812	0.5
329.19623	1.2
373.18668	4.7
374.19037	0.6
487.22406	0.4
505.22882	100.0
506.23163	14.7
507.17410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2081
Annotation	Icariside E4
Peak:m/z	Relative Intensity
52.95136	0.7
58.00465	1.6
59.01249	17.6
68.50797	0.7
69.03316	1.0
71.01260	5.0
71.33924	1.2
72.99188	1.4
73.02818	2.9
73.52045	0.7
83.01202	0.8
85.02818	5.6
87.00751	2.0
89.02308	2.2
95.01223	0.8
95.03480	0.8
96.80465	0.8
99.00756	0.9
101.02343	1.9
108.02031	1.0
109.02853	1.7
121.02817	4.7
125.02316	1.0
126.03151	0.7
137.02353	1.4
145.02858	2.1
147.04463	1.1
159.04420	3.3
169.01398	1.3
180.07845	1.1
181.08633	1.1
204.29158	0.6
212.04773	0.9
221.79160	0.7
222.03877	0.7
224.04881	1.4
226.62636	0.8
227.06654	0.9
227.80089	0.7
238.06303	1.8
239.10753	1.0
240.04239	2.0
248.98994	0.9
250.06494	0.7
253.05020	1.4
253.08925	1.0
255.06630	1.8
255.10254	1.1
257.11551	0.8
263.07144	1.4
265.08759	1.7
266.05740	0.9
267.06616	2.5
268.07452	3.9
269.08099	2.9
270.09018	2.4
280.07385	2.7
281.08209	16.4
282.08890	6.6
283.09698	9.3
284.10132	1.0
293.08408	3.4
294.08871	1.8
295.09723	3.8
296.07150	0.9
296.10367	1.7
297.11264	1.5
299.09296	2.3
299.79630	0.7
300.09906	1.8
302.07913	1.1
309.11398	0.9
311.09195	4.7
312.09949	2.6
313.10739	1.1
314.07883	2.3
314.11615	3.3
315.12381	6.4
325.10754	1.3
326.11505	9.4
327.12341	13.7
328.12851	1.7
329.13910	3.0
340.09372	2.0
341.13852	6.9
342.14499	0.8
343.11853	5.5
355.11838	11.0
356.12198	1.3
357.13541	1.2
363.71152	0.7
369.14008	2.8
429.15582	3.1
445.14990	8.0
446.15231	1.4
457.14957	14.9
458.15121	2.1
459.16281	1.1
460.17386	16.3
461.17850	1.3
472.17444	14.5
473.17584	2.9
475.19739	88.6
476.20114	13.0
487.19745	100.0
488.20041	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	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12337	0.1
50.12566	0.1
54.93194	0.1
59.01244	0.5
60.99164	0.2
71.56982	0.2
76.58059	0.1
77.03834	0.2
77.09277	0.2
80.96377	0.1
93.03344	0.2
121.02843	100.0
122.03169	3.3
137.92619	0.1
179.05016	0.2
180.05722	0.7
181.06509	3.5
185.28951	0.1
197.06018	2.8
198.06479	0.2
199.07535	0.2
207.04480	1.1
207.08078	0.2
211.07568	0.2
223.04021	0.3
223.38748	0.2
225.05513	2.2
233.67488	0.2
251.07051	0.2
256.08887	0.2
257.09726	0.9
269.08151	0.3
285.09222	0.4
301.08792	0.4
313.07166	5.0
314.07407	0.4
329.08057	0.2
357.06067	0.9
373.10693	0.5
383.07767	0.8
417.09763	9.9
418.10037	1.2
433.09265	0.4
461.12256	0.6
490.82196	0.2
505.11404	7.1
506.11969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31691	0.1
55.01749	0.1
59.01249	0.7
70.14337	0.3
78.95770	23.4
83.04912	0.1
96.96830	0.4
104.97318	0.1
122.98421	0.3
134.98381	0.2
152.99483	4.1
155.24461	0.1
168.04221	3.3
171.00554	0.3
178.49242	0.1
194.05775	0.3
202.24876	0.1
206.23456	0.1
216.77895	0.1
224.06877	9.8
225.07187	0.4
227.03209	0.1
242.07954	2.3
261.22256	0.5
277.21707	4.2
279.23264	100.0
280.23608	10.4
290.18790	0.1
363.14340	0.1
372.89047	0.1
504.30930	23.7
505.25421	2.1
505.31415	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	505.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42661	0.3
56.47807	0.3
59.01244	0.7
65.00191	0.9
69.45422	1.4
69.45829	0.8
71.01234	0.4
83.01230	0.8
89.02315	0.6
91.01744	0.5
99.00800	0.3
107.01247	2.7
108.02039	1.7
109.02808	0.7
118.42185	0.2
119.01235	0.4
121.02840	2.1
123.00800	0.7
123.04463	0.3
124.01553	0.3
125.02334	0.7
130.04254	0.3
135.00793	1.0
135.04306	0.3
137.02336	0.4
145.02838	0.5
148.01558	1.6
149.02361	0.9
150.03111	1.1
150.99123	0.5
151.00275	8.4
152.00879	0.7
153.05420	0.3
158.03674	0.4
159.04440	1.5
160.05238	3.2
161.05951	1.0
163.00305	2.6
163.03847	0.9
164.01126	0.6
164.04654	0.5
167.03358	0.6
169.01360	1.0
171.35443	0.3
173.06000	1.0
175.03886	0.6
175.07564	3.6
176.78468	0.3
177.05473	0.8
178.06250	1.2
178.99800	3.4
181.64490	0.3
183.04430	0.4
187.03851	0.7
190.02597	0.3
192.00418	0.5
193.08533	0.4
197.04289	0.3
199.03935	1.5
201.01891	0.4
202.02760	0.3
203.03342	0.5
211.03922	0.8
213.01848	0.4
215.03398	0.7
216.04131	0.9
226.02686	3.1
227.03418	3.7
229.01401	0.4
229.04938	0.5
243.02957	13.5
244.03419	1.3
245.04378	0.6
254.02162	3.6
255.02960	26.2
256.03363	2.2
256.12097	0.3
257.04462	0.3
269.08258	0.3
271.02460	70.5
271.96365	0.3
272.02878	7.5
273.03864	0.8
283.02518	0.6
288.85788	0.3
299.01987	1.7
300.02725	100.0
301.03403	31.8
302.03763	1.9
329.10617	0.6
329.13937	14.0
330.14319	1.2
341.10193	0.6
343.04495	0.7
463.08765	4.3
505.09866	61.2
506.10272	9.7
506.17325	0.4
512.21735	0.4
531.57965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
61.26622	0.0
62.96265	0.1
64.61732	0.0
69.29762	0.2
69.30190	0.3
71.01273	0.1
78.95773	6.4
79.42467	0.0
83.04880	0.1
96.96836	0.1
111.13416	0.0
152.98299	0.1
152.99492	1.4
168.04222	1.6
169.04643	0.1
171.00525	0.1
224.06863	1.1
227.03200	0.1
242.07948	2.9
243.08255	0.1
245.04201	0.1
261.22208	0.5
262.22650	0.1
277.21716	1.8
279.23264	100.0
280.23602	10.9
504.30911	6.7
504.38641	0.1
505.25458	0.9
505.31451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03321	2.1
58.00473	0.7
59.01251	15.9
69.36031	2.1
69.36462	2.0
71.01252	44.4
72.01601	0.8
72.77862	0.5
72.99182	1.9
73.02820	7.3
75.00749	0.6
79.95643	0.7
83.01254	4.4
85.02822	9.8
85.99963	1.5
87.00746	1.8
88.03914	59.2
89.02316	5.2
89.04224	0.8
95.01264	1.7
96.95891	0.9
96.99198	1.1
97.02841	0.8
98.19839	1.0
99.00737	2.2
101.02322	16.6
102.02622	0.4
107.01257	1.1
109.41747	0.4
110.75797	0.4
110.92413	0.4
111.00753	2.8
113.02328	5.7
114.01843	1.1
115.00253	17.5
119.03425	0.8
119.04972	0.6
123.00763	1.7
125.02339	4.6
129.01862	0.8
131.03397	1.7
132.02917	8.8
145.02934	0.5
149.04498	0.8
161.02338	0.7
161.04492	2.1
166.99765	1.1
169.01370	3.7
181.15883	0.6
226.18059	2.0
227.16464	4.5
245.00955	0.5
247.02556	0.5
270.98929	0.6
271.02609	0.6
271.06082	0.5
300.02682	0.6
300.99918	1.1
371.20624	1.1
388.23395	13.5
389.21780	28.3
390.22266	2.9
391.59714	0.5
437.53299	0.5
444.19058	0.6
460.25632	4.2
461.25098	0.7
486.23782	1.1
487.24228	0.7
504.24481	100.0
505.23343	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.8
57.03309	2.0
57.21425	0.5
57.53967	0.4
58.00451	0.6
59.01253	15.2
64.32233	0.4
69.03325	0.5
69.28521	0.7
69.28914	3.9
71.01254	43.1
72.99190	2.2
73.02820	7.2
75.00757	0.5
81.03338	0.5
83.01259	4.2
85.02826	9.6
85.99970	1.1
87.00740	1.3
88.03915	56.2
89.02322	4.2
89.04249	0.8
95.01250	1.8
96.65529	0.5
96.99158	0.7
97.02826	0.5
99.00742	2.5
99.01345	0.5
101.02325	17.1
107.01247	1.5
110.23224	0.5
111.00780	2.6
113.02328	6.0
114.01844	0.8
115.00251	15.8
119.03381	1.0
123.00723	1.1
125.02328	4.1
129.01826	0.8
131.03389	1.6
132.01999	0.8
132.02921	9.0
132.91626	0.4
143.03391	0.7
151.00247	0.7
159.02914	0.9
161.02344	0.8
161.04451	2.1
169.01332	4.7
173.77174	0.5
191.05435	0.7
211.13237	0.6
214.99887	0.5
217.01411	0.6
226.18071	1.6
227.16449	4.6
245.00826	0.5
300.02838	0.8
300.99918	1.7
301.03018	0.4
371.20697	1.9
388.23373	13.8
389.21762	31.0
390.22113	3.5
444.19498	0.9
460.25482	4.1
461.24606	0.5
465.59201	0.5
486.23514	1.5
504.24500	100.0
505.23340	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37188	2.8
59.01248	21.6
63.02269	3.3
65.00194	4.8
65.99718	4.1
69.50860	9.4
69.51290	11.8
71.01252	13.6
73.02811	5.9
85.02831	5.6
88.03899	7.2
89.02335	6.8
95.01253	3.1
99.00760	3.1
101.02309	6.6
107.01247	6.6
109.02829	47.5
110.03123	3.7
115.00253	4.3
121.02840	4.2
123.00764	9.1
124.01553	7.0
125.02238	6.2
134.02336	3.9
135.04256	2.7
136.01544	3.6
137.02362	27.7
146.02371	3.7
147.00735	16.6
148.01573	43.7
149.04433	3.4
151.00269	30.2
152.00996	5.6
152.77313	3.0
153.01770	4.5
158.02379	5.1
161.02325	5.6
161.04503	3.0
162.01910	3.4
163.00314	6.3
163.03949	16.0
164.01128	4.5
164.03429	23.7
164.04318	2.3
165.01898	2.9
166.99872	3.0
169.01361	7.0
169.22070	2.9
175.02635	3.0
176.00983	4.3
177.01862	22.7
178.99808	19.7
186.01917	6.9
199.03990	3.7
203.02103	5.7
204.02885	4.5
207.03006	4.7
209.04535	16.8
214.01379	8.4
218.04474	12.0
223.02414	5.2
227.03400	7.8
230.00781	3.7
231.01643	3.3
236.05624	33.1
242.02176	8.2
242.04480	3.6
243.03030	14.6
255.02982	19.6
262.03540	41.7
267.02786	4.5
268.03882	3.3
270.01669	7.9
270.04248	4.3
271.02460	53.1
272.03110	9.6
273.03738	3.4
280.06000	17.9
284.03070	3.6
285.03879	35.3
286.03659	11.1
287.01920	5.1
288.02643	4.2
294.04099	4.2
295.05270	3.2
295.08060	13.5
298.00992	5.3
299.01926	29.1
300.02710	82.7
301.03561	14.1
310.03613	3.8
313.03409	11.1
314.04037	6.3
315.05087	64.0
316.02084	15.1
322.03589	11.4
323.03937	3.2
328.04785	5.7
331.04602	25.3
338.03354	6.3
339.03790	14.0
340.04623	30.2
342.02365	3.2
345.05856	3.4
354.06171	33.2
355.06540	4.1
356.04013	10.0
357.04813	34.5
358.04825	3.0
371.06268	5.9
372.07181	100.0
373.07516	11.5
398.02945	3.0
431.06320	3.9
432.06714	11.0
435.03314	3.0
447.09262	40.1
454.07758	3.9
463.08594	11.8
472.08911	17.8
486.10403	17.0
504.11444	78.7
504.28018	9.4
505.11661	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	504.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50370	3.7
51.45012	3.8
59.01252	13.6
65.00192	3.6
65.99734	8.4
69.25411	12.1
69.25820	22.9
71.01244	11.0
85.02825	7.1
88.03928	6.0
95.01263	4.5
107.01238	4.9
109.02835	18.4
115.00271	3.9
121.02826	8.5
125.02325	13.7
130.05075	4.1
133.02847	4.6
134.02350	5.5
135.00810	4.2
137.02318	19.8
139.00301	4.4
139.03915	4.1
140.91997	3.8
142.15962	3.6
147.00769	5.4
148.01588	44.6
149.02335	36.5
151.00302	24.4
153.01871	8.2
158.02559	3.8
161.02370	6.7
162.01912	22.2
163.00267	15.2
163.02545	5.4
164.03461	17.9
165.01836	4.9
169.01361	6.7
175.00330	7.8
176.00996	8.7
177.01846	53.7
178.99800	18.3
180.00394	4.3
181.01260	4.4
186.01863	10.0
190.01363	10.8
191.02162	10.5
192.00578	4.5
193.01389	7.0
201.01895	4.3
201.05588	4.6
202.99818	14.8
203.01904	5.3
203.03630	8.1
204.02925	43.8
205.05283	5.6
214.01338	8.5
215.03311	4.7
222.03976	4.6
227.03482	12.1
230.00859	30.5
233.04378	3.9
243.02907	11.3
245.04590	6.6
255.02994	8.6
271.02457	29.8
272.03098	10.2
273.04120	8.2
285.03903	8.2
287.01968	7.1
289.03226	4.4
294.04163	4.4
295.08173	7.7
299.01971	30.7
300.02661	15.7
300.99976	4.5
301.03247	5.6
313.03525	11.5
313.09338	4.4
316.02182	13.3
316.31027	4.2
316.61414	4.0
317.02945	35.6
318.02750	4.6
322.03476	15.3
327.07233	8.3
339.03702	18.6
339.07288	9.7
340.04587	50.3
357.04791	19.9
358.05508	33.2
368.09808	40.5
384.41171	3.7
394.07764	57.6
395.08463	5.9
419.09882	6.5
446.08472	4.5
463.08804	17.7
486.10175	20.6
504.11398	100.0
504.19547	20.0
504.26907	18.1
505.12085	19.5
515.60803	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	503.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	10.1
55.97033	0.5
57.03326	8.4
58.00475	3.3
59.01250	45.0
60.01595	0.7
65.38024	0.5
68.99681	0.7
69.03319	1.5
69.88390	0.5
70.92552	1.1
71.01250	71.5
71.04900	0.6
71.53374	0.5
72.01567	0.9
72.99182	3.8
73.02816	25.8
75.00738	1.9
80.00706	0.5
80.51086	0.5
83.01257	15.5
83.04866	0.5
83.13877	0.5
85.02821	40.9
85.06462	1.0
85.33260	0.5
85.99964	1.8
86.03141	0.9
87.00754	4.0
87.04390	0.9
89.02316	13.4
94.46367	0.5
95.01260	7.1
97.02812	1.8
97.06450	2.4
99.00755	11.5
101.02320	62.1
102.02672	1.3
111.00759	7.4
113.02326	29.7
114.02647	0.8
115.07536	0.5
116.60648	0.5
119.03383	5.6
121.10072	1.2
123.08050	0.6
125.02322	2.3
125.09649	1.5
129.01802	1.4
131.03384	1.4
137.09561	0.8
139.00209	0.6
141.01862	1.2
141.12732	0.8
143.03415	3.8
150.16548	0.5
153.12823	0.8
155.10722	0.6
159.02885	7.4
161.04463	23.8
162.04834	1.0
179.05516	2.0
197.15405	1.4
211.17001	0.6
213.18520	4.3
225.18526	1.4
239.48227	0.5
281.24847	2.2
293.24780	2.9
305.24799	4.4
311.25876	3.9
313.27582	0.8
323.25842	1.3
327.73346	0.6
341.26929	28.3
342.27310	3.0
375.23645	0.9
443.30426	0.9
455.30225	1.2
467.30075	7.5
468.30521	1.4
473.31210	1.9
485.31006	0.8
503.32257	100.0
504.32574	18.4
505.25357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.7
56.02087	0.3
57.03324	4.0
58.00471	1.9
59.01250	33.1
67.01762	0.4
67.44077	0.3
68.99659	0.4
69.03326	0.8
69.33794	1.6
69.34225	1.1
71.01252	68.6
72.01573	1.3
72.99177	2.8
73.02819	19.2
74.60027	0.3
75.00741	1.3
76.68571	0.3
83.01254	8.9
84.02041	0.4
85.02821	31.6
85.06467	0.5
85.24481	0.3
85.99961	1.0
86.03149	0.6
87.00265	0.5
87.00745	2.9
89.02315	15.1
90.47643	0.3
95.01265	5.8
96.95898	0.4
97.02824	1.2
97.06454	1.7
99.00758	8.3
101.02321	44.1
102.02646	0.7
111.00760	4.2
113.02327	27.0
113.05960	0.4
114.00710	0.3
114.02657	0.6
119.03383	7.1
120.44073	0.3
121.10136	0.5
125.02345	1.8
125.09668	0.4
129.01831	1.2
131.03374	0.8
141.01817	0.7
143.03389	2.9
149.55768	0.4
159.02893	5.8
161.04462	19.7
162.04811	0.5
179.05530	1.2
197.15286	0.5
205.03416	0.4
213.18549	1.0
225.18576	0.6
264.15143	0.4
281.24805	1.0
293.24887	0.7
305.24854	2.5
311.25995	0.4
323.26001	0.5
341.22864	0.6
341.26907	9.8
342.27213	1.1
353.27362	0.3
455.30157	0.5
467.30240	4.6
468.30417	0.9
473.31400	1.7
473.37051	0.4
485.31091	0.9
503.32254	100.0
504.32608	16.9
504.38766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.9
57.03323	4.4
58.00463	5.1
59.01250	99.9
59.05276	0.5
60.01585	1.2
68.99689	0.7
69.03342	0.8
71.01253	100.0
71.04887	0.7
71.25788	1.1
72.01585	1.9
72.99181	6.1
73.02818	19.8
75.00748	1.1
79.95584	0.6
83.00801	0.8
83.01256	8.2
83.72236	0.5
84.02011	0.6
85.02823	32.1
85.06469	0.6
87.00738	6.0
89.02315	72.7
90.02651	1.1
94.55640	0.5
95.01262	7.3
96.95911	1.0
97.02834	1.7
97.06460	2.8
98.95454	0.7
99.00748	6.5
101.02321	73.9
102.02661	1.1
108.76570	0.5
108.96138	0.5
111.00758	0.9
113.02328	42.6
114.02685	1.3
119.03387	35.2
120.03777	0.8
121.10139	0.6
125.02345	2.3
125.09570	0.7
129.01805	1.1
131.03384	4.0
139.00259	0.6
143.03400	6.7
149.04431	2.4
159.02905	5.6
161.04463	23.8
179.05525	9.5
205.03535	0.9
211.16948	1.2
213.18532	4.9
225.18527	0.8
237.18523	1.0
281.24875	2.0
293.24905	1.2
305.24805	5.5
323.25833	2.1
341.26941	20.5
342.27261	2.4
503.32254	39.2
504.32578	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	503.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.9
57.03322	6.0
58.00464	4.8
59.01250	92.1
60.01574	1.0
61.98695	0.5
69.03333	0.9
71.01251	100.0
71.04890	1.1
71.56290	0.5
71.56651	0.5
72.01593	1.6
72.99184	7.1
73.02814	17.8
75.00748	1.6
80.96378	0.5
81.03334	0.8
83.01253	11.2
84.01582	0.4
84.02042	0.6
85.02823	35.4
85.06467	0.5
85.07388	0.4
86.03173	0.9
87.00758	6.7
89.02314	66.0
90.02657	1.0
95.01261	6.8
96.95869	0.5
97.02836	1.6
97.06474	3.2
99.00756	8.0
101.02320	77.2
102.02647	1.0
103.78049	0.4
110.70989	0.4
111.00737	2.5
113.02328	41.4
114.02682	1.0
119.03390	30.5
120.03699	0.7
121.10145	0.7
123.00734	0.9
123.08059	0.6
125.02339	2.5
129.01828	0.9
131.03389	3.6
139.00307	0.6
143.03389	6.3
149.04483	2.5
159.02908	6.4
161.04466	28.2
162.04854	0.8
169.01355	1.2
179.05524	8.2
183.13860	0.6
197.15385	1.9
205.03473	1.0
213.18549	3.1
225.18571	1.3
237.18680	0.4
281.24875	1.6
282.42111	0.5
293.17023	0.4
293.24817	1.3
305.24850	2.9
311.26031	1.4
323.25900	1.2
341.26941	22.4
342.27219	2.3
485.31390	0.8
503.19498	3.4
503.32275	56.7
504.32620	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	503.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03955	1.6
58.65292	1.1
59.01233	3.5
62.81800	1.0
63.21218	1.1
63.26855	1.1
70.06745	6.4
78.95773	47.4
79.95612	1.4
80.96391	4.4
96.96827	3.0
98.20424	1.6
99.79642	1.1
111.14468	1.1
151.58365	1.4
152.99492	53.5
171.00571	16.3
227.03093	1.9
231.21152	38.2
232.21600	2.2
242.17648	1.2
245.04292	100.0
246.04550	2.6
275.20172	42.5
276.20438	4.7
278.22025	1.7
298.75473	1.3
323.16739	3.9
472.74265	1.5
503.24182	23.7
504.24329	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	502.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79944	0.1
55.01754	0.1
59.01249	1.0
62.96300	0.1
69.56437	0.1
69.56844	0.4
71.01253	0.3
78.95771	25.4
80.96397	0.1
83.04890	0.2
96.95889	0.2
96.96838	0.3
97.06452	0.2
104.97358	0.1
122.98424	0.2
127.07543	0.2
132.68518	0.1
134.98410	0.2
150.97908	0.1
152.99481	3.0
168.04218	3.7
171.00575	0.2
194.05774	0.2
205.19572	0.1
209.80914	0.1
224.06868	11.2
225.07268	0.4
231.21173	0.2
233.22702	0.4
242.07965	2.9
243.08310	0.1
245.04301	0.6
259.20679	0.4
275.20078	0.7
277.21695	100.0
278.22037	9.8
368.16440	0.1
413.20865	0.2
502.29379	24.3
503.29782	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	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
59.98383	0.0
69.23674	0.3
69.24081	0.1
71.01238	0.3
78.95774	7.6
83.04905	0.2
96.96841	0.1
97.06489	0.1
99.04414	0.1
99.78570	0.0
124.91896	0.0
127.07584	0.3
128.33315	0.0
141.09158	0.1
141.27936	0.0
152.99489	0.7
155.10660	0.0
168.04222	2.0
169.04613	0.1
171.00566	0.1
182.12978	0.0
197.11749	0.0
205.19525	0.1
208.14436	0.1
208.58899	0.0
214.11876	0.0
224.06870	1.3
233.22717	0.4
242.07956	3.4
243.08287	0.1
257.19138	0.1
259.20688	0.4
275.20084	0.5
277.21710	100.0
278.22052	9.8
502.29376	6.5
503.29691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55293	1.5
59.01246	7.2
59.35691	1.4
63.02259	2.4
65.00204	3.1
70.02819	1.5
71.00879	2.6
71.01254	18.0
72.04411	2.1
73.02824	2.4
76.65931	1.6
76.93707	1.5
83.01256	3.4
88.03913	28.7
88.64170	1.4
89.02313	2.0
93.80134	1.6
95.04886	1.8
98.19752	3.4
101.02337	2.7
107.01272	7.0
109.02834	2.2
113.02306	2.2
115.00256	14.3
121.02853	3.3
123.00739	1.9
124.01520	2.0
125.02316	6.0
132.02934	23.1
134.06046	3.0
139.24103	1.6
149.02316	3.4
151.00272	24.3
152.00970	2.2
159.04411	2.6
161.02299	2.9
163.00267	3.4
163.11188	3.9
169.01363	8.1
175.02577	2.4
176.03496	2.3
177.01834	5.5
178.04980	1.9
178.99776	17.4
180.00217	1.9
180.13916	2.8
181.12323	3.5
186.01912	5.0
187.00359	2.4
187.03979	3.4
193.01305	2.1
199.03952	2.9
202.01375	2.9
203.03497	8.4
213.01854	2.3
214.02614	1.8
215.03441	7.6
224.12865	30.2
225.11229	14.6
227.03366	2.7
229.59735	2.1
231.02950	6.5
242.02150	4.5
243.03008	8.8
244.03513	1.8
245.00844	2.2
255.02994	4.3
257.04404	1.8
259.02478	16.4
260.02835	3.7
266.04529	2.0
271.02460	19.6
272.03116	4.1
272.05759	1.7
282.04129	3.5
283.02405	3.2
284.03348	1.9
285.03992	4.8
287.01965	44.0
288.02737	7.6
289.03540	2.2
294.04092	3.5
296.14752	2.0
298.01147	4.7
300.02563	3.1
300.99847	3.2
301.03372	3.3
310.03473	7.8
311.01804	12.7
312.05151	7.2
313.21545	1.7
314.03381	1.9
315.01471	100.0
316.02097	34.0
317.02957	9.1
322.12912	17.3
328.01740	2.2
329.02853	9.2
337.02213	2.9
338.03012	34.2
339.03857	11.6
340.04779	12.3
340.13986	41.9
355.03320	20.2
356.04083	29.3
412.16089	5.8
435.09348	6.6
462.07950	29.1
463.08353	2.8
464.09152	3.3
475.08524	3.8
484.08841	5.6
502.09909	77.1
502.19199	39.6
502.25446	1.6
503.10550	8.8
503.20551	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	501.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85053	0.4
70.07027	2.1
71.01248	7.2
88.48843	0.4
93.03323	0.6
96.95899	2.8
109.02889	0.5
113.57412	0.5
115.00258	6.1
121.02825	0.8
125.02329	0.6
135.04399	2.1
144.17979	0.5
146.39664	0.5
149.02344	16.8
150.02707	0.8
152.01045	4.7
163.03929	3.6
164.04706	18.9
165.01810	1.0
165.05034	1.1
167.03442	1.3
168.67781	0.6
169.01331	1.2
169.04979	2.0
178.50334	0.4
179.07066	9.9
182.97569	0.6
189.01991	0.5
193.01353	9.4
200.98587	0.5
208.03711	37.5
209.04068	1.8
223.06065	100.0
224.06375	5.8
299.99121	1.0
300.99835	2.8
307.00906	0.6
330.79385	0.5
385.11346	18.4
386.11664	2.1
506.96725	0.5
507.14389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00007	12.9
71.01254	19.6
84.04402	3.8
88.03903	9.2
102.01947	2.5
114.01845	21.1
115.00234	22.0
123.00734	3.4
126.88954	2.4
131.13400	2.7
132.02921	45.8
138.03108	3.4
149.02325	41.3
164.04674	45.6
165.05244	3.7
179.07059	39.7
190.02536	4.9
191.71202	2.5
192.02972	29.6
192.06593	3.3
193.01358	3.6
204.06627	4.8
205.04988	6.9
207.05275	23.3
208.03598	6.2
220.06250	3.4
222.07594	19.9
223.06073	19.6
234.07863	2.6
247.50941	2.6
271.84891	2.6
276.08762	7.0
281.75949	3.1
294.09732	24.0
320.07816	5.3
331.57446	2.9
338.08817	51.3
339.09091	5.3
356.06363	4.2
385.11417	5.2
500.14075	100.0
501.14569	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	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	0.8
65.23907	0.4
69.45674	3.1
71.01241	3.9
73.02829	0.5
85.02829	1.7
85.19086	0.4
89.02329	1.3
95.01244	0.4
96.95882	0.4
101.02294	2.8
105.03978	0.5
113.02328	4.7
119.03378	1.5
130.12886	0.4
143.03339	0.4
158.68552	0.4
161.04509	1.4
255.23299	0.4
276.73273	0.4
277.21710	77.2
278.22037	7.9
291.23334	1.5
319.22711	1.7
339.74802	0.4
341.16357	0.5
390.37466	0.5
481.20233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2892
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
58.46478	3.8
59.01249	100.0
61.98708	18.1
65.00227	3.3
71.01241	22.9
71.56824	4.9
71.57263	3.9
79.95601	10.5
80.96375	6.3
85.02811	7.0
89.02303	9.4
94.57319	3.4
96.95895	13.7
101.02335	11.1
119.03373	5.7
125.02331	6.9
136.07524	4.6
138.52072	3.9
161.04414	5.4
169.01266	4.6
180.84810	4.0
197.65930	3.1
200.41818	3.9
278.42828	4.1
289.18094	6.4
299.13669	5.7
299.16574	6.9
353.06320	4.0
451.25266	7.4
497.28934	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.1
57.03338	4.2
59.01253	73.3
61.98703	36.5
63.67512	2.3
66.39795	2.8
71.01255	54.1
72.99196	4.1
73.02816	16.7
77.92491	3.4
78.95773	3.4
79.95609	6.6
80.96375	6.5
83.01266	11.8
85.02818	26.0
87.00777	3.8
89.02320	17.1
96.95907	11.7
97.02869	3.1
99.00767	8.7
101.02324	58.5
112.93613	3.7
113.02341	22.8
119.03443	3.7
121.02843	6.1
125.02294	6.3
126.01689	2.5
152.99498	6.5
159.02863	5.6
161.04459	16.5
169.01427	3.4
173.62209	2.7
198.61299	2.9
200.21252	2.6
207.85690	2.3
213.50739	2.8
229.27151	2.8
241.66943	3.0
267.70917	3.1
270.18765	2.9
289.10971	6.3
298.98389	3.0
299.02988	2.5
305.19699	100.0
306.20056	10.0
335.21664	2.9
365.19656	3.0
437.23907	48.3
438.24481	6.7
497.29428	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	497.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03337	1.3
57.37786	0.8
58.00460	0.9
59.01251	100.0
61.75922	0.7
61.98708	3.5
65.40763	0.8
69.49306	5.9
71.01254	20.2
72.99192	2.0
73.02828	6.9
78.95792	1.1
79.95613	2.1
80.96395	3.6
83.01270	2.6
85.02818	9.3
87.00739	1.2
89.02322	13.7
89.02832	1.2
93.87622	0.8
94.78472	0.9
95.01284	1.7
96.95892	17.8
99.00781	2.7
101.02322	20.2
107.33226	0.9
113.02327	8.7
119.03403	5.5
125.02386	1.2
131.03433	1.9
143.03392	1.6
152.99519	1.5
161.04478	4.1
169.01291	0.9
179.05597	3.2
233.06554	0.9
258.41739	0.8
305.19690	9.3
437.23953	31.9
438.24463	4.0
497.04108	1.2
497.27405	4.5
498.26730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2757
Annotation	Simplexin I
Peak:m/z	Relative Intensity
59.01249	100.0
61.98688	3.2
71.01250	11.2
71.20369	0.9
71.20701	0.7
72.99184	0.9
73.02819	1.7
78.95811	0.5
79.95614	1.9
80.96390	3.3
83.01240	1.3
85.02836	2.6
87.00768	0.8
88.90340	0.6
89.02314	12.4
89.02830	0.9
95.01253	1.1
96.95885	12.9
99.00755	0.8
101.02316	9.8
108.04424	0.5
113.02347	6.1
119.03392	6.4
124.01553	0.5
125.02347	1.1
131.03409	0.7
140.90413	0.5
143.03418	1.4
149.04538	0.6
161.04478	2.1
164.62997	0.6
169.01369	0.9
179.05492	3.1
305.19687	1.3
353.06747	1.6
437.24792	6.7
438.25327	0.6
497.04105	1.3
497.28268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52333	0.6
57.03299	0.9
57.97426	1.3
58.02842	5.0
58.74145	0.5
59.01250	7.4
61.98707	3.4
67.01733	0.7
69.74945	0.8
69.75340	3.2
70.02850	8.6
71.01251	2.5
72.00758	0.9
72.04412	9.8
73.02822	0.7
74.02345	23.0
75.00787	0.7
79.95578	0.8
83.01245	1.2
84.04414	1.7
85.02808	1.8
86.02345	4.8
86.19746	0.6
88.03946	1.0
89.02325	1.2
94.12485	0.7
95.01237	1.9
96.99805	4.4
97.03946	2.6
98.02346	2.3
98.05986	0.8
99.05518	12.2
101.02306	1.7
101.75635	0.7
107.01302	0.9
108.02039	4.7
109.02828	10.0
110.00577	3.0
110.02373	1.2
111.01366	1.0
112.03949	1.6
113.02277	1.0
114.05496	0.9
121.02789	0.5
123.00726	2.4
123.01392	2.6
123.05524	2.8
125.02306	2.3
125.03423	2.6
126.04218	0.8
136.02184	1.2
138.03732	1.1
139.11220	3.7
141.06596	49.7
142.06979	1.8
143.04517	14.0
151.00229	1.3
161.05711	0.6
163.03923	1.3
165.02448	1.2
166.99774	1.4
167.04533	1.5
169.01337	5.4
179.03949	1.5
183.10168	6.7
185.05621	26.4
186.05923	1.1
193.06085	1.2
194.10042	2.4
196.11566	1.5
206.11778	1.0
208.11273	0.6
217.01451	0.6
221.12404	1.2
222.09534	6.1
222.13152	2.2
225.11282	1.6
230.99303	1.7
239.09775	0.9
240.10605	14.1
241.10966	1.2
248.11252	1.1
249.14282	2.3
258.98715	1.1
264.14319	2.0
266.12173	7.9
267.12344	0.9
273.00424	0.7
286.98370	0.8
290.12201	1.3
292.13666	1.2
300.99924	2.8
301.03525	2.7
308.13284	14.6
309.13620	1.3
318.02686	0.8
326.14294	7.1
327.14526	1.7
352.12222	1.5
365.15182	1.3
390.18521	1.0
408.19507	1.0
409.14410	4.2
433.07837	2.2
434.17587	3.8
435.17865	0.8
452.18631	9.2
453.19019	0.7
478.16599	4.0
479.19086	1.9
496.17587	100.0
497.06973	1.5
497.19275	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92368	9.4
59.01246	95.4
61.98700	29.6
69.33975	100.0
71.01254	23.9
79.95588	18.6
80.96375	9.1
81.13097	10.1
85.02809	17.9
89.02311	10.6
96.95930	25.2
101.02306	13.7
113.20577	10.7
125.02301	12.9
175.13863	10.5
195.35735	10.1
202.02669	20.4
240.70876	11.5
301.00143	11.0
495.27478	29.2
495.33899	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	496.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58303	0.6
59.01234	1.0
61.98701	46.0
63.02260	2.3
63.67554	0.5
65.00175	3.8
69.85350	0.5
71.01247	1.0
71.36852	1.1
71.37171	0.6
71.88230	0.7
72.21588	0.8
77.10724	0.5
83.01257	3.0
89.76266	0.6
91.06375	0.6
93.03328	0.9
101.43792	0.5
107.01281	11.2
108.99081	0.9
109.02789	0.7
121.02847	8.0
123.00795	0.7
125.02339	1.0
145.20665	0.6
149.02380	1.1
151.00272	48.5
152.00684	2.1
157.39993	0.6
163.00330	1.0
163.03903	1.0
169.01347	3.6
178.99767	21.1
180.00137	1.0
224.89055	0.6
229.04965	1.1
257.04498	0.6
263.82343	0.6
273.04010	2.1
300.02652	1.5
301.03513	100.0
302.03876	7.8
388.89746	0.7
433.07733	64.7
434.08112	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	495.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00551	3.9
51.01199	3.6
59.01248	57.8
61.98708	19.9
69.49445	31.2
71.01261	46.4
72.01587	7.9
73.02832	8.8
79.95590	5.1
80.96389	7.7
83.01258	4.5
85.02818	17.6
87.00730	10.5
89.02317	19.9
91.28842	3.8
94.15824	3.8
95.04929	7.1
98.42674	5.1
99.00686	4.6
101.02325	28.3
102.02653	3.7
108.04382	6.5
111.77991	4.0
113.02293	12.9
119.03361	6.6
123.04393	19.9
124.04752	6.3
125.02311	7.7
141.09012	3.6
146.79420	4.0
151.07472	5.0
151.11188	5.9
161.04430	12.1
163.11197	6.7
165.09096	10.6
169.01291	7.4
207.84084	4.7
219.80276	4.9
265.88428	3.8
313.18137	5.8
314.18503	5.9
315.18561	12.2
331.19196	22.0
332.19366	35.2
333.19751	59.6
352.66211	3.8
383.80713	4.2
446.17920	4.2
494.45428	4.6
495.25452	100.0
495.32645	9.3
496.25900	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.7
57.03321	3.1
57.14439	0.7
58.00462	1.6
59.01251	64.4
60.01572	0.9
61.98705	2.2
64.62526	0.8
66.13367	0.8
69.03326	2.6
70.90575	2.4
71.01253	56.5
71.04877	1.0
72.01585	0.8
72.99179	5.5
73.02820	23.0
73.63536	0.8
75.00768	1.0
81.03313	1.3
83.01261	14.3
85.02824	29.5
87.00748	3.6
89.02309	9.6
95.01283	4.7
96.95903	1.3
97.02817	3.6
99.00775	7.8
99.04424	0.8
101.02321	48.2
102.02648	1.2
103.03876	5.9
107.01285	1.7
111.00769	1.2
113.02331	19.5
115.03864	0.9
119.03398	3.3
123.00761	3.7
125.02328	14.3
129.01758	1.1
131.03384	0.9
140.00995	1.1
141.01828	1.0
143.03409	3.1
145.04941	1.5
151.00243	1.8
159.02919	4.5
161.02432	1.3
161.04471	21.7
163.06061	4.3
166.04942	1.0
168.00520	0.9
169.01361	9.8
205.07184	1.0
211.02409	1.2
211.13361	1.2
229.07053	1.6
247.08176	4.2
268.75253	0.9
271.04681	1.6
289.16562	52.2
290.16986	5.2
300.99850	1.5
301.03281	1.0
307.10281	1.4
315.77112	1.0
343.10339	1.2
369.02518	1.3
373.18735	1.6
435.22314	100.0
436.22720	12.3
495.11026	1.2
495.18616	9.7
495.25159	1.0
496.18570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63397	1.1
52.59608	1.0
53.94325	0.8
53.94622	0.9
55.01766	1.1
55.92481	0.9
56.26865	1.1
58.00483	2.5
59.01250	100.0
59.24109	1.2
60.01571	1.4
60.66719	1.1
60.74866	1.0
61.98691	2.3
70.98598	1.1
71.01254	69.1
72.01598	1.5
72.99171	3.9
73.02813	10.0
78.95776	4.1
83.01260	3.2
85.02816	11.2
87.00750	9.0
89.02316	89.7
95.01273	2.7
96.95895	2.4
97.02824	1.4
99.00768	1.5
99.04382	1.2
101.02319	48.2
102.02621	1.4
113.02326	14.2
119.03384	9.8
123.00772	3.5
125.02317	10.3
131.03391	47.7
132.03729	1.2
143.03329	1.3
149.04456	90.5
150.04787	2.8
152.99463	4.6
161.04430	3.3
166.99699	1.8
169.01324	9.2
179.05522	2.3
191.05548	20.9
192.05756	1.4
201.01665	1.1
229.15993	1.6
238.58517	1.0
251.07697	1.7
300.99725	2.3
303.17874	1.5
316.19104	1.2
347.11047	1.2
435.22275	32.2
435.29465	7.0
436.22693	4.4
436.29990	1.4
495.30157	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	495.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95730	1.5
67.01774	1.7
67.31033	1.2
69.03284	1.2
70.89065	2.6
71.01254	2.6
82.47910	1.3
85.02823	3.1
89.74484	1.0
93.03331	10.7
95.01271	1.4
99.04371	1.4
107.01260	8.7
111.00727	1.1
111.04382	3.5
120.84129	1.1
123.00764	1.2
125.02329	63.2
126.02595	1.7
137.02364	4.2
155.03464	1.6
163.00270	1.3
168.00519	2.8
169.01331	100.0
170.01685	4.3
173.04451	23.5
173.05980	1.4
191.05518	16.0
276.88611	1.1
300.99762	3.4
325.05573	12.2
343.06671	98.6
344.06836	6.0
363.47272	1.2
495.07819	16.7
496.08115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.078
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01257	3.6
63.49322	1.0
65.00208	4.0
66.91814	0.8
67.01737	1.2
71.01270	2.1
72.35664	0.9
72.99146	1.2
87.26770	0.9
89.02322	1.8
95.01242	4.3
96.99203	1.9
97.02849	1.1
98.20642	2.0
101.02295	1.7
107.01266	4.0
109.99976	9.6
111.00776	6.8
117.03355	1.4
121.02823	1.1
122.98821	0.9
123.00757	6.2
124.01535	3.5
124.98566	1.0
125.02341	8.5
135.00757	1.5
135.04478	1.1
136.98692	2.0
137.02353	3.7
137.99471	2.2
139.00272	13.1
139.03893	4.4
140.01028	2.2
143.04907	1.6
145.02850	2.1
148.01431	1.0
149.02312	1.8
151.00273	13.0
151.03865	1.2
152.01059	5.3
153.01813	1.9
156.06783	1.0
159.04398	2.7
161.02322	2.3
162.03069	1.5
163.00252	4.5
163.03998	1.4
164.01077	3.8
165.00127	1.0
165.01900	2.2
165.98991	7.1
166.99774	8.3
168.00705	1.0
169.01378	7.6
173.02347	1.5
175.03960	2.2
177.01855	4.2
178.99777	9.4
180.00392	1.8
181.01331	1.3
186.03094	1.5
187.03943	5.1
187.70717	1.1
189.01883	3.9
190.02699	1.3
190.99780	1.3
191.03413	2.0
192.00523	1.6
193.01320	1.8
194.99287	1.9
197.02316	1.2
201.01874	2.3
202.02510	1.7
203.03430	8.7
204.03911	1.0
204.99672	1.0
205.01282	4.5
206.01941	1.5
206.99361	1.3
208.00060	1.0
213.01834	1.6
214.02560	1.6
215.03506	4.4
217.01369	3.0
218.02170	1.6
219.02902	2.8
229.01367	2.9
229.49747	1.0
230.02164	3.5
231.02930	5.7
232.03682	3.0
233.00479	1.1
241.01340	1.9
242.02177	1.2
243.03044	7.0
244.03310	1.2
245.00940	1.4
246.01605	1.5
247.02420	2.9
249.03847	1.0
257.00928	1.9
258.01569	4.7
259.02548	9.0
261.03870	1.1
269.00964	1.3
271.02579	6.1
273.00473	0.9
275.01959	2.7
286.01205	5.7
287.02002	36.9
288.02625	7.0
289.03555	1.8
299.99173	1.2
301.00027	5.1
303.01373	4.7
304.02029	5.1
313.98596	1.2
315.01382	45.0
316.02014	5.0
317.02951	1.0
331.00793	2.4
332.01712	85.6
333.02405	21.1
334.03046	1.2
343.06717	1.5
398.49500	1.1
451.08844	1.5
477.06827	2.5
495.07648	100.0
496.07990	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	495.0779
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
52.77779	3.1
56.64710	2.9
59.01250	7.4
63.02282	4.4
64.99877	3.0
65.00201	14.0
67.64996	3.4
71.01244	10.1
78.95765	3.8
83.01275	5.6
83.04915	7.6
85.02829	3.1
89.02324	4.6
92.60506	3.8
95.01263	8.2
96.95890	3.6
101.02332	3.9
107.01260	9.8
109.02833	68.4
111.00763	13.7
123.00740	17.5
123.04401	4.1
124.98691	4.2
125.02329	25.2
128.48067	3.4
133.02853	5.0
135.00734	4.8
135.04398	3.8
137.02341	8.5
139.00272	16.0
141.01845	4.2
146.03741	4.3
147.04442	7.7
148.01653	3.9
149.02353	6.0
149.99495	8.6
151.00252	31.0
152.01033	7.6
153.01826	7.7
159.04385	9.6
159.21217	3.2
161.02373	9.7
163.00253	6.0
166.99725	13.8
168.00574	5.3
169.01350	26.8
175.03949	10.3
177.01764	6.9
177.98897	8.0
178.99779	39.2
181.01318	19.4
187.03891	11.2
189.01871	10.3
190.02562	4.7
191.03503	4.8
192.00601	5.0
193.01308	4.5
199.03938	6.9
202.02608	4.5
203.03436	14.2
204.04016	6.0
205.01315	5.0
206.99347	4.6
214.99782	3.8
215.03412	13.2
217.01263	7.0
219.02893	8.9
225.16000	6.2
229.01326	6.4
230.02118	4.3
231.02921	8.4
232.03729	14.2
233.04462	11.4
235.02473	5.3
243.02931	18.1
245.00967	6.2
247.02490	7.4
259.02466	12.5
260.03186	7.0
261.04083	4.8
271.02481	29.8
275.02121	3.9
285.66275	3.6
286.01053	5.6
287.01959	51.2
288.02676	12.1
289.03464	6.7
297.00369	5.4
298.98956	3.8
299.02014	12.7
300.99826	10.8
303.01389	4.9
315.01462	100.0
316.01904	13.5
329.98517	6.4
330.99081	51.6
332.01559	7.9
333.02493	13.9
359.06125	5.0
363.01797	4.3
395.09674	11.1
449.31592	4.1
451.08401	4.7
451.32950	33.5
452.33215	10.6
477.06628	7.6
494.33615	6.7
495.07333	64.3
496.07776	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	495.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.8
63.02267	3.5
65.00197	12.5
69.36867	13.3
71.01240	2.4
83.01274	7.0
85.02827	1.9
87.00715	2.0
91.51725	1.4
95.01284	2.2
107.01275	16.6
111.00743	9.1
121.02825	2.9
123.00764	6.3
124.98662	2.0
125.02335	17.9
127.00245	2.8
133.82935	1.4
135.04378	1.5
137.02290	1.8
137.99326	1.5
139.00255	14.6
140.00992	4.0
148.98717	2.5
149.02344	1.8
149.99435	2.6
151.00273	100.0
152.00803	5.7
153.05449	1.9
154.99739	6.0
161.02336	2.2
163.00218	3.4
163.03879	3.3
163.05188	1.4
164.01038	2.7
164.98161	3.2
165.01840	3.9
165.98975	2.1
166.99744	7.5
168.00539	11.2
169.01309	7.8
173.02313	2.2
174.03098	2.4
175.03889	1.9
177.01830	3.9
177.98959	1.9
178.99782	42.4
183.02943	8.5
185.02440	2.3
187.03957	2.4
189.01817	2.0
190.02455	3.1
190.99773	3.2
191.03384	3.0
194.99245	9.6
197.04446	4.4
201.01788	3.9
202.02519	1.7
203.03441	4.8
205.01288	3.9
206.02237	3.0
206.99185	1.7
207.02876	3.1
208.00073	2.1
211.02428	82.5
212.02921	4.6
213.01773	2.7
214.02528	2.3
215.03406	3.7
216.00577	1.5
217.01346	5.4
218.02057	2.4
219.02922	5.5
220.03630	2.1
222.98712	3.3
223.02470	3.2
229.01329	5.0
230.02147	4.3
231.02847	4.2
233.00941	1.5
241.01321	3.2
242.02113	3.4
243.02890	3.5
245.00810	5.2
246.01527	3.1
247.02451	4.8
248.03220	3.4
256.00015	1.9
257.00885	5.9
258.01575	6.4
259.02295	7.0
263.05386	2.8
269.00940	2.0
271.02423	4.3
273.00366	2.0
273.04147	1.9
274.01120	5.6
275.01962	11.6
276.02609	1.9
285.00479	3.1
286.01157	5.3
287.01938	10.5
289.03345	2.0
300.99954	5.8
301.03491	4.4
302.00626	5.5
303.01416	11.8
304.01978	3.6
312.99905	4.5
314.00848	2.0
315.01379	5.5
316.02258	10.8
317.02811	3.0
318.03165	2.5
319.04440	4.0
327.01447	3.3
328.99289	1.9
330.00189	2.4
330.03748	3.4
331.00873	21.9
331.04587	10.4
332.01309	2.0
343.06525	6.1
344.01770	2.1
345.02444	20.3
348.01208	5.1
361.02112	1.8
362.02570	2.7
363.03577	29.5
364.03955	3.1
423.09116	3.3
435.05612	4.7
436.06601	1.8
448.06369	2.7
463.05167	17.1
467.07996	4.3
477.06442	6.8
478.07190	1.7
495.07819	38.7
495.31906	2.5
496.08127	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	495.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95005	1.2
57.09202	1.3
59.01249	3.8
63.02261	4.8
65.00188	11.6
67.01748	3.7
68.99675	1.9
71.01249	2.3
72.99157	1.6
73.02805	1.4
79.01747	3.1
81.03312	1.6
83.01262	6.1
85.02858	2.2
87.00756	3.2
91.01756	1.9
93.03320	1.7
95.01257	10.0
96.99187	2.2
98.20567	2.7
99.00754	3.4
104.99752	1.5
106.00486	5.5
107.01256	14.2
107.51848	1.4
109.02841	4.9
109.99969	3.3
111.00760	17.5
119.01321	1.6
119.04911	1.7
121.02886	2.2
123.00764	22.0
124.01514	4.1
124.98709	1.7
125.02342	25.1
127.00259	3.2
131.04822	1.8
133.02846	3.7
133.99969	1.3
135.00761	4.2
135.04396	1.7
136.98677	4.7
137.02335	9.0
137.99431	1.8
139.00258	21.3
140.01022	4.8
141.01807	4.1
141.03316	1.7
145.02870	4.2
147.00758	1.8
147.04372	4.8
148.01497	1.5
148.98697	3.1
149.02332	5.3
149.99429	6.5
151.00261	47.3
152.00974	4.7
153.01793	4.7
153.99045	2.0
154.99776	10.8
159.04411	6.8
161.02362	7.0
162.03001	1.7
163.00238	8.4
163.03893	3.3
164.01018	4.6
164.04680	1.5
164.98248	6.7
165.01826	9.1
165.99008	3.9
166.99759	17.0
168.00557	17.7
169.01329	15.5
169.24077	1.4
171.04369	2.0
173.02332	5.0
174.03140	2.7
175.03922	8.4
177.01868	8.5
177.98965	7.7
178.99774	97.0
180.00275	6.1
181.01385	2.7
185.00836	1.9
185.02338	5.3
187.00334	1.5
187.03929	7.6
189.01857	12.0
190.02568	6.0
190.99745	10.8
191.03432	8.0
192.00540	3.9
193.01317	16.8
193.98529	1.6
194.99265	14.4
195.99712	2.0
197.00797	6.9
201.01819	6.7
202.02542	1.8
203.03436	22.1
204.03952	2.2
205.01347	14.1
205.04893	3.4
205.98502	1.8
206.02045	2.6
206.99240	6.3
207.02919	4.5
208.00079	1.8
209.00821	2.8
213.01862	9.9
214.99701	1.8
215.03416	9.8
217.01331	14.6
218.02039	4.3
219.02905	9.8
221.00854	4.5
222.01651	3.1
222.98769	7.0
223.02322	2.1
229.01349	6.7
230.02156	4.2
230.99240	2.3
231.02966	19.9
232.03432	1.9
233.00818	4.3
233.04510	12.3
234.56918	1.5
235.02443	4.2
241.01407	5.8
243.02921	11.0
245.00856	8.7
246.01601	5.1
247.02415	7.0
248.03233	15.0
249.00270	2.6
249.03992	4.8
257.00900	4.2
258.01675	3.0
259.02481	25.8
260.03061	1.7
261.00372	25.1
261.03900	4.4
262.00958	4.6
263.01953	5.1
271.02432	1.9
274.01132	5.6
275.01855	8.5
276.02646	5.7
277.03534	7.5
285.00467	6.5
287.01965	49.9
288.02417	6.2
300.99744	4.4
302.00638	4.9
303.01453	33.8
304.02151	11.6
304.99826	1.6
305.02914	8.8
312.99890	9.8
315.01544	4.0
315.07004	2.5
316.02161	2.0
321.02402	2.0
330.00137	3.5
331.00928	100.0
332.01376	12.1
343.06815	13.9
344.07053	3.0
348.01074	12.1
349.01898	10.8
355.06644	11.0
407.06320	3.4
423.09509	1.5
451.08572	6.0
467.08521	2.4
477.06833	14.7
478.07419	2.0
495.07623	34.8
496.08066	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	494.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42560	0.3
57.85382	0.3
59.01244	1.3
61.98701	100.0
69.36929	2.8
71.01264	1.2
72.47559	0.3
75.67926	0.3
78.73730	0.3
83.01275	0.3
85.02800	0.6
89.02317	0.6
101.02348	0.7
113.02334	0.6
125.02343	0.5
137.43066	0.4
163.00327	0.3
169.01331	0.6
178.99908	0.4
199.35226	0.3
227.03435	5.8
228.03777	0.4
229.05008	0.5
231.02977	0.4
255.02951	8.1
256.03641	1.1
257.04684	0.4
271.02362	0.6
284.03256	10.9
285.04022	10.2
286.04459	0.7
300.99948	0.8
316.02188	1.1
317.02728	0.8
319.07916	0.3
331.04605	0.5
331.25058	0.5
332.04999	0.7
351.08020	0.3
431.09824	18.5
432.09970	1.5
493.30426	2.4
494.10019	2.1
494.30609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.8
57.03308	1.9
58.00463	1.4
59.01252	21.2
61.98695	0.6
68.99690	0.5
69.03329	0.6
69.72735	0.7
69.73145	2.1
71.01253	29.3
72.01611	0.6
72.99189	0.9
73.02818	11.6
75.00744	1.1
80.96366	0.5
83.01250	6.2
85.02824	10.6
85.99979	0.8
87.00745	2.1
89.02318	5.2
95.01250	2.0
97.02849	0.9
98.20518	0.6
98.62502	0.4
99.00742	3.7
101.02325	19.6
101.03003	0.9
111.00748	4.0
113.02337	7.7
119.03403	1.0
119.04932	0.5
123.00758	0.4
125.02315	1.0
129.01816	0.8
131.03389	0.6
141.01810	0.6
143.03432	0.8
149.04446	1.3
159.02872	2.1
161.04427	2.6
169.01262	0.7
200.21371	0.5
233.19063	0.6
239.20111	0.6
251.19926	0.5
253.09277	0.6
253.15990	0.5
253.21704	1.0
259.02283	0.7
269.21234	4.7
271.02374	0.7
273.93896	0.4
281.21240	2.5
315.01498	1.1
316.02249	1.7
331.04636	1.2
331.19128	0.5
331.24902	9.1
332.25342	0.8
373.26035	0.4
377.07690	0.5
379.13589	0.4
401.25467	4.3
402.25848	0.7
431.26425	7.0
432.27170	0.5
443.26541	2.8
447.22394	2.0
452.24161	0.5
455.26697	0.4
475.29031	1.8
493.10599	2.8
493.30191	100.0
494.30505	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	493.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03316	1.3
58.00467	0.4
59.01254	9.8
68.99676	0.4
70.12656	0.5
70.13060	1.3
71.01253	10.3
72.01567	0.3
72.99179	1.3
73.02820	2.8
75.00734	0.7
76.91981	0.3
83.01262	2.2
85.02816	4.7
85.99990	0.5
87.00758	2.2
89.02323	2.9
93.04591	0.3
95.01265	1.2
96.95876	0.4
97.02820	0.6
99.00742	1.4
101.02324	5.5
107.14034	0.3
111.00775	1.1
112.01561	0.5
112.13494	0.3
113.02340	2.9
119.03382	0.9
123.00806	0.7
124.01584	0.4
125.02349	1.5
125.09602	0.8
127.11164	2.1
129.36340	0.3
131.03365	0.6
143.10651	0.5
149.04457	0.9
155.10699	0.8
157.12213	0.7
163.00336	0.4
169.01338	0.4
171.10152	1.5
187.13356	0.4
201.11287	0.7
242.02258	0.3
243.02992	0.4
258.13751	0.4
259.02533	0.6
271.02417	1.2
287.02011	1.2
295.22787	0.9
301.16745	0.5
311.22186	0.3
313.23907	2.6
315.01413	1.7
316.02234	3.8
317.02496	0.6
329.23343	2.6
331.04425	1.6
331.24893	21.2
332.25150	2.2
346.11636	1.1
373.25830	0.5
433.20508	0.5
452.02283	0.4
475.29135	4.1
476.29715	0.6
489.69373	0.4
493.09909	3.9
493.30200	100.0
494.16129	0.4
494.30511	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.8
57.03308	1.9
58.00463	1.4
59.01252	21.2
61.98695	0.6
68.99690	0.5
69.03329	0.6
69.72735	0.7
69.73145	2.1
71.01253	29.3
72.01611	0.6
72.99189	0.9
73.02818	11.6
75.00744	1.1
80.96366	0.5
83.01250	6.2
85.02824	10.6
85.99979	0.8
87.00745	2.1
89.02318	5.2
95.01250	2.0
97.02849	0.9
98.20518	0.6
98.62502	0.4
99.00742	3.7
101.02325	19.6
101.03003	0.9
111.00748	4.0
113.02337	7.7
119.03403	1.0
119.04932	0.5
123.00758	0.4
125.02315	1.0
129.01816	0.8
131.03389	0.6
141.01810	0.6
143.03432	0.8
149.04446	1.3
159.02872	2.1
161.04427	2.6
169.01262	0.7
200.21371	0.5
233.19063	0.6
239.20111	0.6
251.19926	0.5
253.09277	0.6
253.15990	0.5
253.21704	1.0
259.02283	0.7
269.21234	4.7
271.02374	0.7
273.93896	0.4
281.21240	2.5
315.01498	1.1
316.02249	1.7
331.04636	1.2
331.19128	0.5
331.24902	9.1
332.25342	0.8
373.26035	0.4
377.07690	0.5
379.13589	0.4
401.25467	4.3
402.25848	0.7
431.26425	7.0
432.27170	0.5
443.26541	2.8
447.22394	2.0
452.24161	0.5
455.26697	0.4
475.29031	1.8
493.10599	2.8
493.30191	100.0
494.30505	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	493.2444
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
55.01759	2.4
57.03331	2.4
58.00468	1.7
59.01250	39.1
60.01590	0.6
64.80104	0.4
67.01765	0.4
68.99674	0.4
69.03322	0.6
69.35153	1.1
69.35585	2.6
71.01253	34.9
72.01597	0.6
72.99181	1.8
73.02818	6.8
75.00749	0.7
81.03308	2.2
83.01250	3.0
83.04904	0.8
85.02823	14.8
85.99962	2.0
87.00748	10.0
89.02319	16.9
93.03323	0.6
95.01268	3.0
95.04902	5.1
97.02833	1.5
97.06449	2.1
99.00776	3.3
99.04432	0.5
101.02319	22.9
105.03357	0.7
107.01263	0.7
107.04910	0.7
108.02039	0.7
109.02842	0.5
111.04414	0.4
112.67949	0.3
113.02332	12.4
114.02669	0.5
114.56741	0.4
119.03392	8.0
121.02814	3.2
121.06460	0.4
122.03603	1.3
123.04412	20.7
123.08049	1.7
124.04718	0.7
125.02361	0.5
125.05975	1.0
125.09587	0.5
129.01814	1.0
131.03395	1.0
133.06491	3.4
135.08052	0.9
136.05182	2.7
137.06026	1.4
137.09612	5.7
141.01759	0.5
143.03386	1.1
145.10155	0.5
147.08063	1.7
149.06007	1.5
149.09598	1.0
151.07553	4.1
151.11208	4.7
152.08339	0.8
153.09142	4.7
159.02884	2.1
161.04472	8.6
161.09647	1.0
163.11206	7.6
164.11485	0.5
165.09140	1.2
167.10678	3.9
177.09117	3.5
177.12744	0.7
179.05551	1.0
179.10716	2.9
181.12230	1.5
189.12784	0.5
191.14362	1.3
203.14294	0.5
205.12286	1.0
207.13908	0.4
219.13921	1.2
221.15388	0.7
231.13829	0.4
249.14871	0.8
269.15771	0.5
270.16064	0.5
285.18600	2.8
295.17126	0.5
298.15833	0.8
301.18127	5.6
302.18484	0.8
303.19650	5.2
313.18085	20.6
314.18414	2.7
315.15906	0.4
315.19482	1.0
331.19135	100.0
332.19449	11.5
345.20505	0.8
357.20609	0.8
403.21262	3.5
404.21472	0.8
433.28070	1.1
493.24408	66.9
494.24814	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	493.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49170	0.2
51.64696	0.2
55.01756	1.4
57.03312	1.1
58.00471	1.4
59.01249	23.7
60.01558	0.3
61.98686	0.5
62.98592	0.2
67.01756	0.6
69.03320	3.1
70.62997	0.5
71.01250	26.4
72.99178	1.5
73.02818	4.6
75.00750	0.5
81.03316	0.3
83.01254	2.4
85.02824	8.3
85.99971	1.6
87.00745	6.9
89.02313	12.1
90.91541	0.2
95.01255	2.0
97.02826	100.0
98.03182	2.3
99.00757	1.7
99.04401	0.4
101.02321	16.0
102.02654	0.3
108.40585	0.3
109.02805	1.3
111.00731	0.5
113.02328	9.4
114.02623	0.2
119.03385	5.4
120.40408	0.2
121.10123	0.6
123.08032	0.4
125.02338	1.0
129.01811	0.9
131.03380	0.6
135.08089	0.4
135.11684	0.3
136.05226	0.5
137.05930	0.3
137.09624	4.0
143.03400	1.0
149.04442	0.6
149.05956	0.4
149.09625	1.0
150.06796	0.6
151.03908	0.3
151.07600	1.2
151.11098	0.2
152.04703	0.4
153.05513	0.3
153.09106	2.1
159.02898	1.3
161.04456	5.7
164.04683	0.7
165.09117	47.7
166.09454	2.4
167.10684	7.0
168.11052	0.4
179.03432	0.6
179.05560	0.9
179.10722	0.9
181.04990	0.3
181.12299	0.4
191.14352	0.7
203.14391	0.7
219.13736	0.3
221.15408	1.0
233.15495	0.5
244.28706	0.2
257.19147	0.9
259.20645	0.4
269.19177	0.6
271.02563	0.3
287.20160	3.8
288.20493	0.8
301.18115	0.8
303.19681	0.3
313.18158	1.2
315.01685	0.3
316.02185	0.9
329.15994	12.9
330.16257	1.2
331.04568	0.7
331.19113	19.0
332.19470	2.4
357.20651	0.4
359.22372	0.6
395.20709	0.5
401.19785	0.3
403.21115	1.5
404.21582	0.4
427.88165	0.3
433.27716	0.6
443.74942	0.3
449.25439	6.4
450.25888	0.7
493.09525	1.1
493.24435	41.2
494.24765	7.5
494.31625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
55.22373	0.6
57.03319	2.6
58.00465	2.5
59.01250	45.6
61.98706	1.3
68.99680	0.8
69.03333	5.9
70.91068	1.4
71.01252	48.4
72.01575	1.1
72.99184	3.6
73.02821	9.5
75.00749	1.2
79.95631	0.8
80.96386	0.6
81.03342	0.7
83.01250	4.7
83.04887	1.4
84.02042	0.6
85.02822	17.6
85.99977	2.4
87.00751	11.1
89.02316	28.3
90.02689	0.6
95.01256	3.4
96.95924	0.9
97.02827	84.1
98.03169	2.2
99.00770	4.4
99.04399	1.1
101.02319	32.4
102.21728	0.5
103.30390	0.5
109.02805	1.2
111.00749	1.6
113.02332	23.1
114.02676	0.8
119.03386	12.2
123.00791	0.6
123.08035	1.8
125.02320	2.6
125.09615	0.7
129.01843	1.2
131.03418	1.6
135.04428	0.5
135.07993	0.7
136.05226	1.9
137.05995	1.4
137.09615	11.9
139.07524	0.6
139.71471	0.5
143.03410	3.2
149.04453	1.3
149.05931	0.9
149.09605	4.1
150.06775	1.4
151.03889	0.6
151.07539	4.5
151.11230	2.9
152.04639	1.2
153.09100	9.8
154.98033	0.8
159.02872	2.5
161.04456	11.6
163.07545	1.1
163.11179	0.7
164.04623	0.6
165.09123	90.3
166.09477	4.9
167.10678	17.7
168.11014	0.8
169.01334	1.1
179.03410	1.0
179.05496	3.3
179.10634	1.3
181.04973	0.7
191.14243	0.7
200.01112	0.7
204.91914	0.7
211.85818	0.6
235.16908	1.1
241.54889	0.6
257.19080	3.5
259.20370	0.8
271.02448	1.6
287.01855	1.6
287.20132	5.8
300.99875	1.0
301.18121	2.0
303.19476	0.8
313.18005	2.4
314.18573	0.7
315.01404	2.9
316.02182	3.7
329.16016	18.2
330.04037	0.6
330.16458	1.7
331.04486	2.5
331.19119	84.1
332.19440	9.7
345.20639	1.5
357.20630	0.7
385.20050	1.1
403.21194	4.0
449.25443	4.5
450.25955	0.7
493.09848	5.7
493.24396	100.0
494.24689	15.5
494.31647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.9
57.03315	1.4
58.00481	1.7
59.01249	38.1
61.98694	1.1
67.01768	1.0
70.04793	3.8
71.01251	36.0
72.01606	1.2
72.99172	2.7
73.02811	6.7
75.00740	1.5
79.95571	0.9
81.03323	1.8
83.01249	3.6
85.02816	13.3
85.99973	1.6
86.87385	0.7
87.00750	8.6
89.02317	19.7
93.03384	0.9
95.01244	4.1
95.04875	5.5
96.95845	0.9
97.02798	1.1
97.06461	2.0
98.20587	0.8
99.00744	3.2
101.02319	23.7
102.02641	1.1
107.01290	1.5
111.00746	0.9
111.04372	0.7
113.02325	16.4
119.03387	9.6
121.02840	2.3
122.03636	1.9
123.04403	20.9
123.08057	1.5
125.02313	1.8
133.06471	3.4
135.08064	1.4
136.05176	2.3
137.05966	2.3
137.09630	4.2
143.03419	2.2
149.06000	1.2
149.09639	1.1
150.06783	0.8
151.07530	4.3
151.11171	4.1
153.09102	2.9
159.02777	1.7
161.04454	9.4
163.11200	6.8
165.09116	0.9
167.10646	3.2
169.01312	2.1
177.09122	4.6
177.12665	1.0
179.10651	3.5
180.10841	0.7
181.12294	1.2
191.14389	1.0
203.03221	0.8
204.76564	0.7
217.32771	0.7
221.15434	1.2
227.59853	0.8
251.16072	0.7
265.88889	0.8
270.16153	0.8
271.02460	1.3
277.28110	0.7
285.18600	2.0
287.01944	1.3
298.15604	1.0
301.00095	0.7
301.18155	5.6
303.19516	5.4
304.19745	0.9
313.18082	23.8
314.18445	2.6
315.01401	2.0
315.16043	0.9
315.19705	1.4
316.02222	2.8
331.04523	1.6
331.19128	100.0
332.19461	13.2
345.20667	1.3
401.19843	0.9
403.21216	3.8
404.21390	0.9
433.27655	1.4
493.10046	3.8
493.24423	67.6
494.24826	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	493.0988
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
59.01252	1.6
64.82162	0.2
66.32732	0.2
69.77155	1.5
70.45826	0.2
71.01265	1.4
73.02824	0.3
78.23300	0.3
85.02812	0.5
86.81745	0.2
89.02308	0.9
89.82629	0.2
98.19786	0.5
101.02294	0.6
107.01270	0.4
113.02341	0.7
119.03381	0.3
123.00746	0.4
124.01541	1.8
125.02348	0.9
131.03253	0.2
135.00737	0.4
135.54240	0.3
136.01535	0.5
151.00267	2.0
152.01053	0.9
163.00246	0.7
164.01057	1.4
166.06241	0.3
169.01340	0.8
178.99799	1.9
203.03497	1.3
204.04114	0.5
205.15851	0.3
214.02611	4.5
215.03333	0.9
217.01418	0.4
227.03473	0.5
229.01605	0.3
231.02992	0.7
232.03734	0.7
242.02167	4.1
243.02946	2.8
244.03680	0.3
247.02524	0.3
259.02432	5.2
260.02841	0.3
270.01688	5.6
271.02469	30.9
272.02823	2.2
287.01968	18.9
288.02484	2.8
308.31641	0.3
313.12991	0.6
315.01483	5.2
316.02219	91.6
317.02567	7.9
330.03787	1.1
331.04578	100.0
332.04919	7.9
361.18597	0.3
478.07327	0.9
493.09860	13.0
493.30090	2.1
494.09982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.0
59.01250	12.2
65.00194	2.5
71.01263	9.3
71.56694	0.9
71.57092	1.0
72.99164	1.3
73.02806	1.2
80.89203	0.7
83.01252	5.5
85.02829	2.1
89.02313	7.3
95.01225	1.4
95.15627	0.8
98.20485	0.7
99.00815	0.8
101.02319	1.4
101.03899	0.8
102.35551	0.7
107.01307	0.9
108.02023	1.3
109.02852	6.2
110.03164	1.3
113.02338	1.5
115.01752	1.1
117.03326	2.0
117.26196	0.8
120.02184	0.8
120.99517	1.5
121.02863	1.7
123.00777	3.4
125.02338	3.6
131.01309	1.2
132.02066	3.5
133.02869	1.7
143.01320	2.3
145.02881	5.2
147.04414	0.8
148.01541	4.7
149.02344	3.5
151.00288	4.2
159.00771	1.9
159.04451	1.9
160.01570	7.8
160.04794	1.1
161.02354	7.4
162.03105	1.1
163.00275	1.7
163.03918	2.8
165.01820	0.9
166.02629	1.1
169.01337	4.5
171.00807	1.9
172.01556	3.4
172.05144	1.0
173.02386	4.6
173.05891	2.4
174.03091	1.6
174.06427	0.8
175.00311	1.1
175.03929	2.2
176.01007	4.7
177.01865	8.0
178.99808	1.1
187.00302	3.2
187.03955	2.2
188.01042	3.1
189.01857	10.3
189.05449	1.4
190.02487	1.8
190.99803	1.9
191.03441	1.2
192.00497	1.0
193.01308	0.9
199.00348	2.0
200.00946	0.8
201.01895	1.8
202.99792	2.8
203.03471	2.4
204.00569	11.1
205.01341	10.9
206.02066	3.1
206.99280	1.6
214.99818	4.8
216.00578	27.3
217.01286	12.5
218.01952	1.3
218.99187	1.0
219.02931	1.6
229.01375	5.6
230.99355	3.5
231.02908	1.1
232.00104	7.7
233.00902	3.3
241.04953	1.1
242.05418	2.6
242.99376	3.4
244.00101	2.5
245.00850	3.3
247.02495	2.7
249.00159	1.1
249.04047	3.2
250.01167	1.2
256.07120	1.2
258.98877	3.5
259.99609	4.7
261.00214	1.3
263.02002	2.6
270.98843	2.8
271.02051	1.0
273.00552	1.0
275.01981	6.7
276.02682	1.2
277.03519	19.7
277.06485	1.2
278.03925	2.0
281.08026	1.6
282.08490	1.4
284.09921	0.8
286.56079	0.9
288.99976	1.8
291.01459	1.7
296.10229	2.8
297.10367	1.7
300.09573	1.9
303.01456	36.3
304.01703	3.7
312.09570	2.3
313.10529	1.7
314.11148	3.0
315.11395	1.5
316.02249	1.4
319.00980	4.0
321.02484	11.3
322.02716	1.2
326.11746	1.0
327.11960	2.8
331.04718	1.6
331.11133	1.3
341.13773	1.3
342.14346	3.9
343.14627	1.5
344.12732	2.9
345.13013	7.6
346.13129	4.4
347.00436	100.0
348.00742	10.1
359.15070	8.5
360.15326	22.3
361.15585	17.3
362.16037	1.1
365.01544	1.0
378.05927	2.5
492.19553	16.8
493.06076	15.7
493.19858	26.9
494.06955	2.3
494.20145	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	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01251	2.3
70.70760	0.6
70.71104	0.3
71.01257	0.8
78.95774	12.3
79.35820	0.3
79.72839	0.3
79.95621	0.8
85.00095	0.3
88.93098	0.3
89.02309	0.4
95.04900	0.4
97.06476	0.4
102.22111	0.3
113.09630	1.8
125.02325	0.8
140.01086	3.3
152.99469	1.6
162.92973	0.3
166.36380	0.3
169.01347	0.9
171.00526	0.8
177.12804	0.9
179.14310	1.0
181.12140	0.6
195.13834	16.0
196.03702	1.5
196.14201	1.0
214.04779	4.6
223.34093	0.3
228.09964	0.3
277.21710	13.8
278.22073	1.7
279.01480	0.4
295.22772	100.0
296.23135	9.8
331.04770	0.5
492.27307	25.2
493.09769	0.9
493.27713	3.4
493.34076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03331	1.6
57.03558	0.3
58.00465	1.6
59.01248	31.7
60.01595	0.3
64.84708	0.3
71.01250	25.8
72.01576	0.5
72.99181	1.5
73.02826	2.3
75.00787	0.3
83.01259	1.5
85.02819	6.2
85.03282	0.5
87.00749	1.5
89.02314	18.4
91.01776	1.2
95.01267	0.4
98.20560	0.8
99.00761	1.1
101.02319	2.7
108.02062	1.9
109.02834	15.6
110.03174	0.4
111.00737	0.5
113.02340	1.7
123.00802	0.4
123.04394	3.7
124.01566	0.5
125.02348	1.6
131.03387	1.4
137.02350	0.4
144.05693	0.9
147.04381	0.4
149.04485	1.0
158.03763	0.4
159.04413	6.6
161.02328	0.5
163.30980	0.3
169.01363	2.1
171.04425	0.9
172.05215	4.7
173.05995	7.3
174.06346	0.5
185.06000	0.4
187.07550	5.9
189.05489	4.4
190.02686	0.5
190.06219	0.9
191.07008	2.1
201.05486	0.9
202.06303	0.3
203.07059	2.2
204.04227	0.5
205.01355	0.4
205.04933	0.3
205.08673	1.2
207.39752	0.3
213.05376	0.4
217.01363	0.5
217.08664	0.6
225.05511	1.1
233.00774	0.5
240.04163	1.6
241.04993	9.7
242.05545	0.9
251.07166	0.7
253.05035	3.2
253.08661	0.8
254.05438	0.4
255.06609	6.1
256.07135	1.1
263.07144	0.9
265.08524	0.4
266.05984	0.5
267.06586	2.6
267.09430	0.3
267.10278	0.3
268.07364	2.5
269.08212	1.8
277.03592	0.3
277.08740	0.3
279.06720	1.9
280.07339	1.9
281.05362	0.5
281.08185	5.7
282.08780	0.8
283.09894	3.3
293.08099	0.5
295.09763	8.8
295.12988	0.6
296.10416	4.2
297.11212	0.9
298.08511	1.1
299.09222	6.5
300.09631	0.4
300.99850	0.6
308.10593	0.4
309.11246	0.6
310.08389	0.7
311.09308	9.3
311.12802	1.5
312.09723	1.3
313.10797	13.3
314.11172	1.6
321.02658	0.9
325.10831	1.8
326.11560	9.7
327.08670	0.4
327.12091	1.9
328.09497	0.5
328.13272	0.4
329.10297	4.7
329.13757	0.5
330.10806	0.5
341.09781	0.8
341.13916	14.7
342.10699	0.5
342.14368	1.6
343.11737	2.5
344.12622	36.0
345.13019	5.0
347.00311	0.6
359.14990	100.0
360.15350	12.2
365.00995	0.4
473.18423	0.4
491.19217	79.4
492.19559	13.5
492.26892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1923
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01762	1.1
57.03323	2.0
58.00459	1.3
59.01250	38.2
63.20027	0.4
70.89421	0.8
70.89749	0.6
71.01250	28.2
72.01535	0.5
72.99181	1.9
73.02811	2.8
73.56879	0.4
83.01258	1.8
85.02814	6.8
85.22868	0.4
85.38790	0.4
87.00753	1.1
89.02317	20.2
89.85604	0.4
91.01790	1.2
95.01278	0.9
99.00758	0.8
101.02319	2.7
107.01247	0.6
108.02028	2.6
109.02835	16.6
110.03173	0.5
113.02307	2.1
122.03552	0.5
123.00785	0.8
123.04401	3.8
125.02346	3.1
129.01816	0.6
131.03389	1.3
133.02820	0.5
137.02341	0.6
139.03947	0.7
144.05666	0.6
145.02820	0.5
149.04509	1.0
149.05806	0.4
149.15564	0.5
159.04402	7.2
160.04807	0.5
161.02420	0.6
166.99873	0.7
169.01279	2.9
171.04449	1.3
172.05209	4.8
173.05984	7.8
174.06387	0.5
187.07561	5.3
189.05515	5.7
190.06125	1.0
191.07065	2.1
201.05458	1.1
202.06186	0.7
203.07063	2.5
205.08633	0.7
216.00665	0.5
217.01379	0.6
217.08589	0.8
225.05550	1.2
240.04298	2.0
241.05005	10.4
242.05344	0.7
247.02481	0.7
251.07210	0.6
253.05037	2.7
255.06601	6.8
256.07449	0.5
262.06403	0.5
263.07150	1.1
264.07907	0.4
265.08725	0.5
267.06671	3.1
268.07388	2.9
269.08176	1.7
270.05698	0.5
277.03448	0.8
279.06665	1.7
280.07404	1.9
281.08191	6.1
282.08698	0.9
283.09824	3.8
293.08102	0.8
295.09775	9.7
296.10315	3.5
297.11176	1.0
298.08365	1.3
299.09265	5.8
300.99951	1.8
303.01593	0.9
309.11218	0.7
310.08676	0.8
311.09338	10.2
311.12894	1.6
312.09796	1.7
313.10825	12.5
314.11148	2.2
321.02405	0.7
325.10776	1.9
326.11566	11.3
327.12292	2.7
329.10251	4.0
330.10709	0.9
341.13934	15.4
342.14337	1.5
343.11667	2.8
344.12613	37.9
345.13074	4.0
359.14993	100.0
360.15341	13.3
360.19617	1.0
476.17120	1.0
491.19217	84.3
492.19574	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	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.1
60.82703	0.2
63.02271	0.5
65.00183	0.5
67.01783	0.4
71.01256	0.5
71.28007	0.3
75.02283	0.8
78.95766	0.3
79.95603	0.3
84.56537	0.3
91.01772	3.2
93.03330	1.2
95.01260	1.0
99.00761	0.3
101.02325	0.4
103.01770	0.6
104.02547	0.3
105.03312	0.3
107.04892	0.6
108.02045	2.5
109.02845	1.2
109.99953	0.3
111.00733	0.3
113.02352	0.3
115.90479	0.3
119.01270	5.3
119.04898	0.3
121.02848	1.4
123.00684	0.5
123.04414	0.6
124.01530	0.8
125.02345	0.6
131.01279	4.4
132.02054	0.5
133.02827	1.2
135.00702	0.3
135.04408	1.3
136.01534	0.7
137.02339	1.7
139.00279	0.2
140.01036	0.4
145.02815	0.5
147.00778	20.9
147.04465	0.5
148.01590	4.9
149.02348	1.4
151.00261	0.4
151.03931	1.3
158.99573	0.2
159.00800	4.5
160.01161	0.3
161.02370	0.3
161.08011	0.3
163.00262	1.4
163.03960	1.8
164.01050	0.8
165.01854	1.9
173.02345	0.5
174.03235	0.3
175.00285	20.5
176.01057	22.4
177.01796	2.3
178.99779	0.7
179.03383	3.5
190.02658	2.9
190.99786	2.4
191.03427	7.2
192.00558	2.6
192.03937	0.3
193.01324	1.2
201.01794	0.3
202.99791	30.0
204.00150	2.6
205.01407	1.0
207.02893	3.7
208.03122	0.4
209.00813	0.8
215.03450	0.7
218.99257	1.9
220.00079	1.6
221.00858	6.8
228.00600	0.6
229.01323	0.6
229.05075	0.3
235.02432	23.0
236.02773	1.4
243.06602	0.5
244.07353	0.8
246.98798	30.5
247.99257	1.9
256.00140	0.6
260.03140	0.4
262.33917	0.2
267.20154	0.3
271.06119	0.9
273.00528	0.4
275.02438	0.3
279.01447	100.0
280.01755	6.4
287.02063	0.3
288.02762	0.6
300.99988	0.5
303.08640	0.5
315.05054	0.9
331.00748	0.4
332.01727	0.9
347.07556	1.2
363.03497	0.4
383.07950	0.3
459.09451	0.6
491.11942	5.0
491.28079	0.3
491.34952	0.3
492.12350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58263	0.3
59.01245	1.3
63.02283	0.3
65.00186	0.6
67.01772	0.5
70.92249	0.8
71.01254	0.4
75.02261	1.0
79.01760	0.6
79.95603	0.9
80.96405	0.4
82.71104	0.3
89.00189	0.4
91.01757	3.6
93.03363	0.9
95.01246	1.1
96.95882	0.3
103.01753	0.7
105.03352	0.8
107.01212	0.4
107.04917	1.0
108.02042	3.2
109.02830	1.5
119.01260	5.3
119.04946	0.6
121.02849	1.4
123.00768	0.6
124.01575	1.0
125.02330	0.4
130.57892	0.3
131.01271	4.5
132.02066	0.4
133.02843	0.9
134.34421	0.3
135.04399	1.3
136.01543	0.5
137.02370	1.6
144.07825	0.4
147.00784	21.6
148.01575	5.3
149.02303	1.4
151.03899	1.4
153.05470	0.5
159.00797	4.3
163.00252	1.7
163.03899	1.9
165.01843	1.2
169.01373	0.4
175.00293	22.7
176.01065	22.4
176.02264	0.3
177.01744	2.5
178.99826	0.6
179.03438	3.7
190.02679	2.7
190.99785	2.2
191.03439	7.3
192.00600	2.5
192.03767	0.4
193.01436	1.7
199.29190	0.3
201.01677	0.3
202.99792	33.6
204.00204	1.7
205.01402	0.7
207.02927	4.4
209.00876	1.0
215.03442	0.7
215.77229	0.4
218.99312	2.2
220.00058	1.5
221.00850	5.9
227.07104	0.5
228.00589	0.5
229.01369	0.5
235.02431	23.3
236.02785	1.0
243.06674	0.5
244.07327	0.9
246.98807	29.1
247.99219	1.8
260.02960	0.4
271.06049	1.6
279.01443	100.0
280.01773	5.8
287.01962	0.4
288.02454	0.6
293.21094	0.7
294.21606	0.4
315.05045	1.8
332.01733	0.5
347.07828	0.8
363.03751	0.5
383.07782	0.4
447.12115	0.4
459.09140	1.2
479.18521	0.4
491.12006	5.7
492.12360	1.0
510.90042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.0
63.02256	0.6
65.00180	1.3
66.74338	0.6
69.51314	1.3
69.51723	3.3
71.01254	3.3
73.02804	0.6
83.01256	1.3
85.02814	1.6
85.22497	0.5
89.02312	2.3
101.02304	0.7
107.01267	3.1
109.02840	1.5
111.00705	0.5
113.02299	0.8
121.02832	5.7
123.00734	1.0
124.01559	0.6
125.02327	5.8
128.35255	0.6
133.02806	0.5
140.86626	0.6
147.00732	0.7
147.04465	0.6
148.01590	0.7
149.02356	3.2
151.00284	9.5
152.00728	0.6
152.34959	0.5
159.04483	1.0
160.05199	1.5
161.02362	0.7
161.13266	0.6
163.00235	0.9
169.01355	4.3
173.05919	0.9
175.00267	2.4
175.07529	1.2
176.01077	1.4
177.01845	9.5
178.02193	0.6
178.99792	5.1
189.01843	0.9
202.99780	3.6
203.03438	0.6
205.01453	1.0
215.03467	1.3
216.04204	1.4
217.01360	1.1
217.04953	0.9
219.02904	0.7
223.14560	0.6
227.03444	1.2
229.01447	0.6
231.02881	1.0
243.02933	1.6
244.03728	0.8
245.00769	1.3
245.04585	1.4
257.04507	1.0
259.02451	0.6
271.02374	1.2
272.03244	6.9
273.00662	0.7
273.03894	3.0
277.03458	0.8
282.01718	6.4
283.02393	1.7
285.00748	0.8
285.04086	1.7
299.01929	1.2
300.02716	20.7
301.00018	1.2
301.03391	5.1
310.01172	1.6
311.01913	11.3
311.09286	1.2
312.02365	0.8
314.00626	2.1
321.02426	1.5
327.01453	3.2
327.16495	0.6
328.02209	47.5
329.02972	73.0
329.13605	4.8
330.03281	6.6
341.13785	1.2
344.12561	3.2
347.00446	1.4
359.14981	8.7
360.15366	1.1
491.08298	100.0
491.18597	7.8
492.08578	13.4
492.19519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	2.7
70.30587	4.0
71.01248	2.6
85.02805	3.3
97.02853	1.4
97.49162	1.0
98.19868	1.4
105.03329	1.1
113.02337	1.9
117.03337	4.7
119.07350	1.1
121.02882	1.7
123.00751	4.4
125.02306	3.4
132.02055	3.6
133.02838	3.8
134.03667	1.6
143.01314	1.4
145.02843	14.2
146.03561	1.3
147.00714	1.5
147.04385	1.0
148.01566	7.8
149.02303	4.7
151.00281	2.2
157.02785	1.2
159.00745	1.7
159.04395	1.3
160.01553	5.7
161.02348	21.8
162.03159	5.3
163.00195	1.8
163.03929	9.1
166.02628	2.2
169.01321	4.0
172.01582	1.9
173.02335	9.8
174.03120	9.5
175.00372	1.8
176.01019	6.7
177.01862	9.8
177.05489	2.5
179.03284	2.1
187.00247	2.8
188.01045	4.2
189.01828	18.5
190.02623	9.6
190.99818	2.8
191.03357	3.5
192.00577	2.3
193.01314	2.5
199.00269	2.0
201.01869	4.5
202.99855	2.3
203.03433	2.5
204.00583	14.2
205.01361	34.5
206.02057	8.8
206.99234	2.7
207.89285	1.1
214.99741	3.6
216.00574	21.5
217.01341	32.8
218.02148	6.3
219.02881	2.3
221.04521	1.4
229.01517	4.9
229.03453	1.1
230.99268	1.9
231.03008	1.4
232.00070	11.8
233.00867	34.4
234.01535	5.7
242.99284	3.3
244.00055	2.4
245.00845	25.2
246.01442	1.8
247.02545	2.4
249.00311	1.8
249.04010	7.5
250.01041	1.7
258.98917	4.8
259.02313	1.2
259.99667	6.7
261.00372	9.5
263.01953	3.9
270.98843	1.4
275.01959	5.6
277.03519	74.4
278.03842	5.6
288.99951	2.8
291.01608	2.1
293.02979	4.0
301.00034	2.1
303.01431	19.4
304.01859	1.9
319.00931	4.2
321.02496	100.0
322.02747	7.3
347.00409	85.7
348.00870	4.8
365.01468	21.9
416.96277	1.1
491.04672	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	491.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24323	1.9
71.15237	3.3
101.91237	1.8
117.03381	4.3
123.00753	4.6
125.02346	8.4
131.67920	2.4
132.02089	3.4
133.02859	7.9
145.02863	18.2
148.01553	10.1
149.02313	5.6
151.00356	2.6
160.01549	3.3
161.02332	26.2
162.03099	8.5
163.00279	3.6
163.03932	9.9
166.62517	2.2
169.01318	7.0
173.02356	11.4
174.03180	9.4
175.03835	2.7
176.01074	7.2
177.01851	8.8
177.05478	2.3
179.03484	2.1
187.00334	2.9
188.00963	2.4
189.01862	27.9
190.02623	14.3
190.99797	4.1
191.03381	2.7
192.00592	2.6
193.01364	3.3
201.01845	5.0
203.03477	2.7
204.00609	16.1
205.01357	44.6
206.02092	12.2
214.99809	2.6
216.00615	16.8
217.01353	34.4
218.02072	8.1
225.06142	2.2
229.01433	4.0
230.99162	3.1
232.00146	10.4
233.00856	43.6
234.01547	5.6
242.99283	3.6
244.00075	3.4
245.00896	33.0
249.04047	9.1
258.98788	3.7
259.99615	4.0
261.00372	10.8
275.01956	6.5
277.03528	88.9
278.03885	7.0
288.99875	4.0
293.02933	3.7
299.43277	2.0
300.99991	4.8
303.01459	16.2
305.03113	3.7
319.01065	5.2
321.02505	100.0
322.02875	8.4
347.00400	64.7
347.04449	4.2
348.00629	6.4
365.01462	38.1
366.01758	5.5
408.71521	2.0
491.04501	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21865	0.9
56.22150	0.9
60.63986	1.0
65.00203	1.9
70.96338	0.9
71.04714	2.2
85.02822	2.8
89.03841	1.2
95.01241	1.2
105.03369	1.6
113.02322	1.3
117.03346	5.8
121.02817	2.1
123.00757	2.3
125.02352	2.3
131.01318	0.9
132.02065	2.5
133.02869	5.6
136.01552	0.9
136.98622	1.0
143.01225	1.2
145.01836	1.6
145.02866	15.5
147.00816	1.3
148.01572	8.8
149.02361	4.8
151.00249	2.4
159.00758	1.2
160.01598	5.8
161.02356	21.0
162.03140	6.2
163.00287	1.7
163.03903	7.4
164.01100	1.5
166.02571	1.2
169.01337	2.3
172.01566	2.7
173.02330	8.4
174.03075	6.0
175.00310	1.1
175.03889	1.5
176.01051	5.8
177.01831	8.5
177.05415	2.0
179.03423	1.4
187.00247	2.2
188.01091	3.5
189.01834	17.3
190.02654	6.4
190.99792	1.6
191.03381	1.8
193.01338	2.7
200.01132	1.2
201.01855	2.7
202.99800	1.8
203.03447	2.1
204.00528	13.2
205.01358	32.9
206.02097	6.9
206.99332	2.1
214.99825	2.9
216.00578	17.3
217.01347	24.2
218.02061	3.6
221.00987	1.1
229.01366	2.6
230.99326	1.9
231.02824	1.7
232.00104	8.9
233.00844	26.7
234.01625	5.4
242.99319	1.9
244.00175	1.6
245.00868	17.4
246.01227	1.5
247.02390	2.6
249.03947	7.4
250.01115	2.3
258.98813	2.9
259.99554	3.7
261.00366	7.7
262.00912	1.0
263.01926	3.8
270.98767	1.9
275.01886	3.2
277.03513	63.7
278.03833	6.6
285.07886	1.0
289.00027	1.9
291.01447	1.8
293.03021	2.7
300.99872	1.8
303.01425	14.6
304.01764	1.7
316.60083	1.0
319.00928	2.7
321.02496	100.0
322.02786	6.1
347.00421	67.4
348.00681	5.1
365.01434	22.7
366.01526	1.3
491.04694	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	490.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.9
59.01247	19.7
63.02234	5.1
65.00188	11.9
65.99724	4.5
69.23190	23.4
69.23624	14.3
69.27707	3.2
71.01240	16.7
75.75114	3.3
78.01143	3.0
82.73666	3.3
83.01260	11.1
88.03922	15.8
89.02304	6.9
95.01267	10.0
96.00806	5.1
98.02348	3.7
101.02315	4.7
107.01271	25.9
109.02833	35.9
115.00278	6.6
121.02831	15.5
123.00743	13.5
125.02348	23.8
132.02821	4.0
133.02905	3.9
134.02397	25.7
135.00800	4.7
136.03917	4.7
137.02335	31.7
139.03903	6.0
140.03459	6.2
141.01764	4.0
148.01584	13.1
149.02356	42.5
151.00270	92.5
152.00822	6.0
153.01820	10.9
161.02356	7.7
163.00311	21.4
163.03922	6.5
164.00972	6.6
164.03427	12.2
165.01849	8.0
169.01338	26.4
174.71352	3.5
175.00322	7.4
176.00996	4.5
177.01817	26.3
178.05173	3.6
178.99742	35.0
180.00052	3.7
188.03448	4.6
189.01726	3.6
190.01346	3.8
193.01352	11.0
199.03998	5.0
201.01866	4.1
204.00299	3.2
204.02936	13.6
205.01405	4.9
206.04474	6.8
208.00223	3.5
208.02405	10.0
214.01338	4.7
220.02449	15.4
221.02850	5.1
222.04045	14.6
227.03426	9.6
229.04927	5.3
239.03278	3.9
242.02040	8.0
243.02965	10.0
245.04750	4.2
248.01720	6.9
255.02921	14.1
269.04556	5.6
270.01727	5.5
271.02478	38.4
272.02905	9.0
273.03976	24.8
277.03464	8.4
281.06601	12.5
284.03314	6.7
285.00839	6.5
285.03943	46.4
286.04361	5.5
294.04105	6.1
295.02182	4.8
297.04236	4.0
298.03580	5.3
299.01962	40.6
300.02548	26.7
301.00162	5.4
301.03494	54.1
313.03613	12.3
316.04654	8.4
317.02969	16.0
321.02554	5.8
322.03522	13.2
330.06189	5.7
340.04575	42.3
347.00201	4.0
358.05643	100.0
358.09851	7.1
359.05829	8.5
375.27448	5.0
403.06711	8.4
423.09192	4.3
431.06189	11.9
432.06924	23.7
433.07657	16.0
472.08963	23.4
473.09091	5.2
489.28317	7.6
490.09933	72.3
490.30338	27.8
491.09991	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	21.5
60.43425	1.1
63.96104	8.4
71.01235	7.7
71.48432	2.2
73.57300	1.2
75.00742	3.0
78.95743	1.6
79.95600	23.3
80.96397	2.4
89.02307	7.8
95.95082	3.1
96.95887	16.2
99.99622	1.2
101.02328	2.7
113.02302	1.8
125.02417	1.4
137.09616	4.5
137.13994	1.1
141.01587	2.0
152.27504	1.5
156.91476	1.3
161.04366	1.3
171.10117	8.8
173.01166	1.8
179.05519	1.6
211.02646	1.4
222.57707	1.2
237.04353	3.1
239.05907	8.1
241.07550	28.3
255.09041	1.5
269.07019	2.8
283.08612	100.0
284.09067	9.0
285.06635	1.9
293.21259	3.9
309.10217	5.1
309.20685	3.7
313.17834	1.8
350.64209	1.3
389.16348	3.5
391.20291	2.9
407.17477	10.5
490.20685	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	489.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41047	1.3
57.81255	1.5
59.01258	13.4
63.55107	1.3
63.96084	1.6
71.01260	9.3
71.14433	2.4
71.14754	2.0
73.02810	2.3
79.95611	5.0
80.96391	3.3
81.34515	1.3
85.02820	3.8
89.02321	1.7
89.96027	1.3
96.95892	5.7
99.00764	2.6
101.02340	6.8
102.63731	1.4
113.02338	3.1
133.52898	1.5
161.04454	4.7
165.12761	12.5
197.02150	5.9
247.20621	6.5
250.76402	1.5
273.18582	4.0
291.19647	100.0
292.20044	11.5
357.22812	2.1
416.09293	1.5
489.21930	3.1
489.33850	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
52.93596	0.4
52.97903	0.4
54.91119	0.4
59.01254	3.2
61.98684	0.7
71.10208	0.7
85.02819	0.6
85.07233	0.4
87.22959	0.4
89.02321	0.5
93.03371	0.6
96.00787	1.8
96.95856	0.5
101.02369	0.5
107.01254	1.5
117.03372	0.4
121.02814	0.5
123.00768	0.5
125.02322	1.8
140.95670	0.4
151.00266	2.6
156.56873	0.4
161.02394	0.5
163.00250	0.8
169.01401	1.4
174.03067	0.8
178.99837	1.1
183.04401	1.6
187.03957	0.9
190.02431	0.5
190.99747	0.5
211.03944	1.7
223.96643	0.4
227.03441	82.5
228.03795	7.2
229.04987	1.3
239.03369	0.5
255.02960	99.8
256.03494	14.8
257.04239	1.4
267.15973	0.5
269.04358	0.5
284.03250	71.8
285.03918	19.4
286.04483	0.7
323.16214	0.9
327.05066	1.6
460.38184	0.5
489.10361	100.0
490.10760	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	488.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.5
58.07369	1.1
59.01251	10.4
63.02270	2.8
65.00195	5.3
65.99709	2.4
69.47977	1.3
71.01244	5.0
71.56467	2.6
72.99136	1.6
75.00730	1.9
83.01254	3.5
88.03883	1.8
91.10480	1.4
93.03329	7.7
95.01264	3.2
101.02278	2.3
103.55929	1.3
107.01267	10.1
108.92722	1.2
109.02843	4.2
117.03351	2.3
118.02843	1.4
119.04865	1.4
121.02829	7.7
123.00746	8.2
123.04391	1.3
124.01552	2.0
125.02362	7.5
126.60197	1.5
132.02101	8.5
133.02838	3.3
134.02373	5.1
134.03593	3.4
135.00801	2.4
137.02333	19.5
139.00278	1.6
145.02913	3.0
146.02354	2.5
148.56300	1.3
149.02367	3.1
151.00276	34.5
151.03864	1.4
151.61369	1.3
152.00970	2.8
153.01831	1.7
155.03629	1.2
160.01572	2.7
161.02316	2.6
162.01837	10.2
163.00256	3.9
163.03847	1.7
164.01065	1.5
164.03427	24.1
166.99748	1.6
167.04915	1.5
169.01373	9.3
171.03094	1.7
171.04449	2.7
172.03938	2.5
173.05865	1.8
175.03938	2.7
176.01047	1.8
176.03468	1.8
177.01860	24.0
178.99768	17.2
183.04477	4.0
186.01860	10.4
187.03914	3.3
189.05440	1.9
190.01324	6.9
192.00540	2.4
193.01309	2.1
198.01968	2.0
199.03905	2.0
201.05513	3.8
202.99782	1.7
203.02011	2.8
204.02948	19.4
205.01343	1.7
211.03967	6.3
217.01547	2.0
222.03943	1.4
225.05634	1.8
226.02737	1.5
227.03445	21.9
228.03741	1.9
229.04984	8.8
230.00972	3.4
231.03108	2.6
238.05034	2.0
239.03481	3.4
240.04156	1.9
241.05037	3.4
243.03049	2.5
245.04559	3.7
250.05014	2.6
251.03578	2.0
253.05136	1.7
254.04590	2.6
255.00275	2.1
255.02963	38.1
256.03574	6.8
256.06305	3.7
257.04526	8.2
266.04626	1.8
267.02762	1.8
267.16071	3.9
269.04520	20.8
270.04190	11.9
271.02319	7.4
272.03067	4.0
273.03986	4.2
278.04721	3.0
279.02881	10.4
279.08698	3.7
283.02414	18.2
284.03186	22.1
284.05701	1.8
285.04037	20.7
294.04028	2.7
295.04675	2.0
296.05823	3.3
297.03998	10.2
297.09811	1.9
298.04022	2.5
299.04596	5.4
300.02701	7.2
300.05176	5.1
301.03497	49.6
302.03729	2.9
305.03137	3.5
306.04010	16.6
307.04639	2.4
323.04333	21.6
323.07678	2.5
324.05087	53.4
324.08804	2.8
325.05527	3.1
326.03125	2.4
327.07410	1.8
340.05078	2.3
341.05356	45.2
342.06143	29.1
343.06461	2.2
350.08701	3.6
368.09869	14.9
394.07889	4.8
430.08966	3.0
431.09683	12.3
446.61877	1.5
447.09277	24.3
470.10873	17.0
471.11472	1.6
488.11987	100.0
489.11963	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	487.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25846	0.4
59.01230	0.7
71.01239	0.9
89.02287	0.5
95.01290	0.4
98.20677	0.5
101.02305	0.5
101.91527	0.4
111.00773	0.5
123.00792	0.9
125.02310	1.4
132.02071	0.7
134.01860	0.4
145.02827	1.7
157.02866	1.0
160.01555	1.7
161.02386	0.4
163.03920	0.6
166.99765	0.8
169.01323	1.7
172.01552	3.5
173.02277	1.4
174.52242	0.5
176.01006	0.6
185.02396	2.6
187.00357	0.6
188.01009	0.9
189.01831	0.7
199.00269	0.5
200.01085	4.5
201.01907	3.0
214.99805	1.5
216.00575	4.3
217.01331	1.0
226.99843	1.9
228.00587	2.2
229.01385	4.9
230.32741	0.5
242.99319	4.7
244.00090	3.7
245.00812	2.2
254.99429	1.2
256.00018	1.5
257.00891	4.3
266.99329	8.5
267.02115	0.7
267.99786	0.5
269.00885	0.5
270.98837	17.7
271.99536	3.2
273.00171	1.2
280.00101	0.5
282.98874	2.5
283.99619	10.0
285.00253	3.7
293.00940	0.6
295.02304	1.1
297.00403	0.6
297.97626	2.5
298.00714	0.5
298.94785	0.6
298.98318	17.6
299.99088	89.6
300.99850	79.1
302.00198	5.9
307.99619	4.1
309.00278	2.5
310.01077	0.7
310.98297	3.7
311.02063	1.7
312.99872	1.5
321.00391	0.8
322.01099	0.6
323.98901	0.8
324.99805	1.0
335.99094	1.0
336.99823	1.4
338.00876	0.6
339.01413	2.5
363.98563	1.3
364.99380	0.9
367.00970	0.9
397.02036	0.9
407.00449	8.3
408.00653	0.8
425.01447	9.7
426.01837	0.9
450.99197	0.6
453.25134	0.5
469.00360	7.7
470.00729	0.8
487.01535	100.0
488.01868	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	486.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98597	0.5
56.76442	0.4
58.02845	0.7
59.01250	5.0
61.98694	1.0
62.91774	0.4
64.70908	0.4
65.85396	0.4
69.24123	1.8
69.24545	3.4
70.02853	0.5
71.01251	19.5
71.04874	1.3
71.93587	0.4
73.02809	1.1
81.63189	0.4
83.04910	0.6
85.02818	2.1
87.50928	0.5
88.03912	80.7
89.02313	0.8
89.04239	1.5
96.95913	0.8
97.06469	1.0
101.02324	0.8
104.23019	0.4
109.06432	0.9
113.02297	0.5
114.01845	1.3
115.00259	17.6
116.00571	0.7
125.02327	1.8
127.11216	0.7
131.26651	0.4
132.02921	32.0
132.20860	0.5
133.03218	0.6
138.06761	1.1
139.07527	1.0
139.11172	1.1
147.60751	0.5
151.11259	1.0
157.12302	0.8
167.10660	1.0
169.01320	2.6
181.12158	0.5
184.13554	0.5
187.13319	1.6
242.74619	0.5
249.18571	1.6
269.21252	3.1
287.14288	0.7
294.20673	0.6
298.26080	0.5
300.99979	1.8
312.21814	9.1
313.20126	4.9
324.18246	0.6
370.25620	0.5
371.24326	8.5
372.24481	1.1
384.23972	2.3
428.22452	1.2
442.28036	1.0
468.26068	1.2
486.27084	100.0
487.10974	0.7
487.21564	0.8
487.27463	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	486.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03309	0.9
58.00456	2.1
59.01250	29.9
60.38538	0.5
64.43590	0.4
69.11821	0.4
71.01251	37.5
71.05009	1.2
72.01607	0.7
72.04411	1.6
72.99184	2.8
72.99542	0.4
73.02800	1.3
77.36198	0.5
83.01257	2.1
83.04893	0.5
85.02827	5.4
87.00713	0.6
88.03915	11.8
89.02315	16.0
95.01263	2.0
96.00786	1.7
96.99168	0.8
98.05989	0.6
101.02323	12.6
103.69737	0.5
107.01273	0.7
113.02323	6.5
114.01846	1.5
115.00257	22.9
116.00629	0.6
119.03384	7.2
123.00778	1.1
125.02351	2.6
126.50679	0.5
131.03391	0.9
131.04575	0.4
132.02000	0.8
132.02914	7.3
143.03407	1.4
147.11697	6.4
148.57838	0.5
161.04472	1.9
165.15573	0.4
166.99789	0.8
169.01347	4.0
179.05539	3.6
190.12288	12.0
191.12563	0.6
208.13377	1.1
244.13289	0.8
247.02667	0.5
262.14359	2.7
273.00580	0.6
275.01984	0.7
280.15555	0.7
288.12369	1.7
296.63104	0.5
298.98520	0.6
300.99719	2.6
306.13477	4.5
308.15039	1.6
371.16931	2.5
442.20767	0.9
468.18701	1.2
486.19818	100.0
487.19992	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	485.2139
Annotation	Maculalactone D
Peak:m/z	Relative Intensity
57.03323	2.0
59.01249	43.6
70.02847	17.2
71.01253	30.7
71.55325	2.2
72.99184	3.0
83.01232	2.3
85.02815	8.7
89.02320	18.5
95.01244	4.9
96.00786	12.6
96.95850	2.4
98.08102	1.9
101.02322	18.1
107.01240	3.7
108.04431	1.8
111.00847	1.7
113.02365	9.1
113.03451	7.7
114.01856	42.2
116.70759	2.2
119.03382	8.0
121.02921	1.8
123.00772	3.9
123.01854	1.7
125.02309	9.9
131.04520	19.9
137.02304	1.8
139.00345	2.2
139.01390	2.3
147.11673	6.4
166.99747	3.3
169.01341	18.4
173.02371	2.2
187.00244	1.9
190.12314	9.2
194.01048	1.8
204.64246	1.8
217.01424	2.4
229.01230	2.6
275.01746	3.4
287.13968	16.1
291.01627	2.0
299.99051	3.1
300.99866	11.5
302.00113	3.7
305.03079	2.3
305.15048	32.6
306.15112	2.9
452.99942	1.8
467.20255	3.7
485.21393	100.0
486.21872	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46073	0.2
57.78199	0.3
70.43952	0.5
78.95777	6.7
96.96857	0.5
152.99490	14.9
155.10608	0.3
163.70624	0.3
171.00558	1.2
184.82486	0.3
226.97348	0.3
227.03210	3.0
243.45862	0.3
245.04257	1.1
255.23271	100.0
256.23618	9.4
256.26364	0.4
322.14133	0.3
414.31039	0.3
483.27283	22.2
484.27567	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	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18032	0.2
65.21967	0.2
67.63774	0.2
70.31851	1.0
77.80789	0.2
78.95776	7.1
96.96838	0.6
149.89232	0.2
150.97902	0.3
152.99492	15.2
153.99815	0.4
154.09853	0.3
160.05475	0.2
171.00581	1.1
227.03197	3.2
245.04276	1.4
255.23267	100.0
256.23633	8.8
289.69254	0.3
420.03949	0.3
483.27286	25.1
484.27582	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50371	0.4
63.67096	0.3
69.24104	0.3
71.02785	0.9
78.95774	17.9
85.60346	0.4
96.96838	1.4
134.98476	0.3
150.97855	0.3
152.99487	29.4
153.99806	0.6
171.00536	1.4
204.52353	0.3
226.60750	0.3
227.03181	5.2
245.04242	1.3
255.23256	100.0
256.23602	9.6
391.22568	1.0
483.27271	57.1
483.38571	3.2
484.27637	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	483.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.8
57.03316	2.4
58.00465	1.4
59.01252	50.3
60.01582	0.9
61.98706	9.5
63.76740	0.9
69.03333	1.3
71.01254	38.9
71.56622	1.9
72.01578	1.2
72.99182	2.5
73.02821	10.2
79.95602	1.3
83.01264	7.0
85.02819	16.4
87.00740	3.1
87.04383	1.2
89.02316	15.6
95.01247	2.2
96.95912	0.9
97.02834	1.8
99.00761	5.5
100.90190	0.9
101.02317	36.4
102.02682	1.8
107.01246	1.1
111.00764	5.4
112.93581	1.5
113.02326	12.1
113.59954	1.0
115.03912	0.9
119.03398	1.9
123.00787	3.2
124.01546	2.4
125.02347	7.8
131.03406	16.3
137.02330	1.0
139.00253	1.5
139.03996	1.7
140.01025	1.7
143.03418	2.8
149.04440	4.1
149.40033	0.8
155.10667	1.7
159.02878	2.6
161.04449	8.6
162.04794	1.0
166.99727	1.1
168.00554	1.7
169.01318	8.6
179.05495	0.9
199.09644	1.6
200.01060	1.1
214.99706	1.2
216.00471	1.0
226.99629	0.8
228.00658	1.0
231.02995	0.9
233.06587	1.9
242.99338	2.7
244.00069	1.4
245.00858	1.6
254.99255	1.0
256.00110	3.9
266.99329	5.7
267.99957	2.0
270.98816	11.8
271.99203	1.0
275.02109	1.1
277.16608	1.4
278.78864	0.8
282.99057	1.2
283.11679	1.0
283.99564	10.1
289.16571	2.0
290.16852	2.8
291.18140	39.6
292.18448	2.4
298.98306	8.3
299.99124	16.9
300.99887	15.6
302.00229	1.4
307.99628	7.0
309.00293	2.7
310.98303	5.5
311.99078	1.2
323.99170	5.4
326.97821	1.5
335.99011	7.8
336.99747	2.2
338.97781	1.0
351.98538	5.7
352.99234	3.8
395.00369	8.3
404.73279	0.9
423.22333	100.0
424.22772	12.7
450.99417	8.4
483.02048	62.3
483.18561	13.9
484.02570	9.0
484.18774	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	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.4
55.88604	0.9
57.03314	2.8
58.00436	1.1
59.01253	46.9
69.03304	1.4
69.22631	11.5
71.01255	37.5
72.99186	2.0
73.02821	10.5
78.95770	4.8
79.95592	1.4
81.03361	0.9
83.01255	6.8
85.02820	17.2
85.99963	1.3
88.03889	1.1
89.02317	14.0
95.01299	2.4
97.02824	1.2
99.00759	4.5
101.02321	34.2
105.50297	1.1
111.00774	3.6
113.02340	13.7
121.04710	0.9
123.00744	1.4
125.02329	7.1
131.03395	12.8
143.03357	2.6
149.04437	3.7
152.99480	5.5
161.04457	7.1
169.01357	4.7
182.44345	1.0
196.97343	0.9
204.40321	1.2
226.11086	3.3
233.06548	2.1
241.13403	6.2
270.98782	1.6
284.93134	1.1
285.12384	7.4
291.18134	36.7
292.18454	2.9
298.98395	1.6
299.13828	1.7
299.99194	3.0
300.99808	7.8
302.00140	1.4
325.27512	1.1
327.13287	1.4
387.15811	1.0
404.16333	1.1
423.22363	100.0
424.22617	11.9
431.98013	1.0
432.92389	1.0
447.17801	2.3
483.01993	2.9
483.24081	2.0
484.12820	1.6
484.25427	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	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15382	1.0
55.01744	2.3
57.03316	2.9
57.74271	0.7
58.00463	1.2
59.01251	46.7
61.30397	0.8
61.98690	2.6
69.03317	1.3
69.31501	8.2
70.88947	0.9
71.01254	35.7
72.99170	2.7
73.02811	10.8
79.95614	1.3
83.01261	8.1
85.02822	14.3
87.00723	1.9
88.03903	2.1
89.02319	15.8
95.01234	1.2
96.95896	3.2
97.02818	2.0
98.20494	1.7
99.00734	5.1
101.02319	31.8
102.02622	0.8
102.47162	0.8
111.00753	3.5
112.93607	0.9
113.02328	11.4
115.03877	0.8
123.00752	1.5
125.02345	5.8
131.03397	12.6
131.43167	1.0
143.03424	1.8
143.52278	0.8
149.04445	5.2
151.07588	1.0
159.03032	1.0
161.04459	5.7
169.01308	5.3
171.09105	1.1
193.64389	0.9
233.06566	1.9
250.30870	1.1
285.12457	2.4
291.18140	33.6
292.18454	1.8
298.98605	1.1
300.99854	4.9
302.00253	1.1
352.39661	0.9
423.22348	100.0
424.22702	10.6
450.99438	1.0
483.16208	2.0
483.33340	3.6
483.66495	1.2
484.25412	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	483.2237
Annotation	Taxumairol X
Peak:m/z	Relative Intensity
55.01752	0.8
57.03316	0.7
58.00452	1.0
59.01250	22.1
60.01579	0.4
60.99165	0.4
69.03324	0.6
71.01253	19.0
72.99181	1.7
73.01241	0.3
73.02814	2.0
75.00732	0.7
79.95639	0.3
83.01253	2.2
83.04873	0.3
85.02819	6.3
86.66880	0.3
87.00754	1.2
89.02314	13.4
95.01254	1.9
96.95908	0.9
97.02851	0.7
98.20560	0.7
99.00755	0.8
101.02317	11.8
107.01271	2.2
107.04910	0.4
109.02853	0.3
109.06464	1.1
111.00785	1.3
111.04412	1.4
113.02315	6.1
119.03380	4.9
121.10090	0.7
122.03608	1.6
123.00766	2.0
125.02344	6.5
135.04448	0.5
136.05182	0.8
137.02316	0.3
137.05966	1.3
139.00278	1.3
141.01839	0.4
141.45081	0.3
143.03398	0.3
145.02876	0.6
149.04497	0.3
149.05896	0.3
151.00316	0.3
161.02344	0.6
163.00252	0.8
166.99747	2.1
167.37163	0.3
168.00575	0.7
169.01335	8.7
169.02779	0.4
170.01671	0.7
173.02432	0.4
175.03955	0.3
177.01834	0.4
178.99754	0.3
179.05519	0.3
181.01382	0.4
185.00818	0.9
189.01819	0.4
189.09212	0.4
190.99734	0.3
191.03406	0.5
193.53391	0.3
201.01788	0.5
203.03493	0.4
204.32466	0.3
205.01364	0.3
209.00806	0.5
215.14415	0.6
217.01262	0.5
227.00008	0.3
229.01437	0.8
241.15833	1.3
245.00867	0.7
247.02473	0.7
259.16946	3.1
263.57321	0.3
270.98798	0.4
273.00519	0.4
275.02036	0.8
277.18106	0.9
287.09274	0.5
298.98422	0.3
299.99106	0.9
300.99863	5.5
302.00153	1.1
303.15839	0.5
316.99338	1.1
338.00467	0.4
339.01233	0.4
364.99384	0.6
367.00824	0.3
410.99915	0.4
421.22366	0.8
438.99442	0.3
439.23395	0.6
450.99438	1.1
465.21146	1.0
483.22366	100.0
484.22729	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	483.0779
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01250	2.2
65.00147	0.4
67.01746	0.5
69.03326	0.7
71.01250	4.2
71.27359	0.6
72.99179	0.4
79.01776	0.7
83.01246	0.7
85.02832	0.4
87.00740	0.3
89.02310	0.7
95.01275	1.5
97.02826	1.3
101.02329	1.5
107.01265	7.6
108.01579	0.4
111.00748	1.9
113.02351	0.9
123.00758	7.6
124.01569	1.6
125.02332	63.2
126.02655	2.3
127.00246	0.8
132.39330	0.4
136.98708	1.2
137.02376	0.5
139.00296	2.3
139.03831	0.8
140.01039	2.6
141.01831	0.9
149.02290	0.5
151.00256	5.5
153.01799	0.8
154.99815	0.4
161.02353	0.9
165.01834	0.8
166.99783	0.6
167.03416	1.4
168.00534	9.6
169.01329	92.4
170.01646	3.5
174.79182	0.3
179.03456	0.5
181.01349	0.4
187.78343	0.4
189.01881	1.8
193.01355	1.8
203.08942	0.4
211.02417	40.8
212.02742	2.0
217.01360	0.7
218.44757	0.3
223.02388	0.4
233.00687	0.4
241.03503	3.9
245.00810	1.0
253.03543	0.5
261.00360	0.5
263.01990	0.5
271.04572	50.1
272.04916	3.1
288.99908	0.6
300.99777	1.4
313.05630	14.9
314.06015	1.0
316.99207	0.6
331.06680	10.0
332.07193	0.8
436.46487	0.4
465.07181	0.7
483.07748	100.0
484.08148	10.7
509.29660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81184	0.7
59.01240	2.2
64.62679	0.8
69.03309	1.3
70.59032	0.8
71.01273	4.4
79.01756	0.9
81.03326	0.9
83.01248	0.9
85.02812	1.6
85.63708	0.9
89.02305	0.8
89.74014	0.7
92.32854	0.8
95.01268	2.5
97.02831	2.2
97.86293	0.8
101.02336	3.5
107.01260	9.0
111.00790	4.0
113.02322	1.0
123.00758	10.1
124.01549	3.0
125.02332	80.4
126.02657	2.8
136.98726	1.2
137.02324	3.1
138.03114	1.0
139.00290	4.7
140.01062	5.8
141.01784	1.9
145.02847	1.1
149.02359	1.7
151.00256	4.8
161.02324	1.8
163.03882	1.2
164.00996	0.8
165.01855	1.6
166.99774	2.9
167.03415	2.2
167.04889	1.0
168.00539	12.2
169.01332	100.0
170.01697	4.4
175.03893	1.2
177.01733	1.0
181.01341	4.3
183.02861	1.8
183.37254	0.9
189.01866	2.2
191.03439	2.4
193.01343	7.7
201.01691	0.9
207.02971	1.5
211.02419	38.2
212.02705	1.9
217.01392	2.9
223.02449	1.1
235.02484	2.1
241.03514	2.3
245.00748	1.7
247.02480	1.0
253.03282	1.4
261.00293	1.2
263.01813	1.0
270.98895	1.2
271.04581	23.0
273.00293	1.1
275.02213	1.4
300.99829	5.0
313.05637	5.9
314.05966	0.9
316.99265	1.7
331.06860	3.8
341.42404	1.1
405.04669	1.4
423.05664	26.8
423.11517	1.3
424.06024	3.2
483.07776	73.1
484.08221	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	483.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50050	0.5
54.77095	0.5
55.01744	0.7
58.85453	0.6
59.01244	3.4
67.01743	1.4
68.99701	0.6
69.03316	1.6
69.48776	2.4
69.49208	2.4
71.01254	4.2
72.99164	1.0
73.02834	0.9
77.55267	0.5
79.01745	1.1
81.03345	0.5
83.01257	0.8
85.02827	1.0
89.02302	0.7
95.01254	1.8
97.02847	1.4
101.02336	1.7
107.01264	12.6
109.99938	0.5
111.00772	3.6
113.02341	1.4
123.00763	9.4
124.01576	2.4
125.02334	86.7
126.02683	3.2
126.48923	0.6
127.00233	0.8
133.02892	0.7
133.83020	0.6
136.98708	2.2
139.00238	4.1
139.03885	1.4
140.01082	4.7
141.01840	1.1
145.02907	0.7
151.00279	5.2
161.02338	1.3
165.01836	2.2
166.99826	1.0
167.03424	2.0
168.00557	15.0
169.01332	87.1
170.01686	4.2
173.02402	0.6
177.01718	0.7
183.02921	1.4
185.00839	0.8
189.01878	2.2
191.03482	0.7
193.01376	3.3
199.63411	0.6
207.03246	0.6
211.02415	47.4
212.02742	2.1
217.01326	2.0
217.80765	0.6
219.02980	0.8
235.02303	0.6
241.03545	2.1
245.00952	1.3
247.02414	0.7
271.04572	47.9
272.04932	2.6
289.00000	0.7
300.99847	2.2
313.05649	16.4
314.06036	1.3
316.99332	0.7
331.06668	10.0
447.05252	0.7
465.06451	1.2
483.07776	100.0
484.08102	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41700	1.0
69.42125	1.1
76.13036	0.2
78.61130	0.2
79.35373	0.3
80.67370	0.2
93.11123	0.3
95.01277	0.3
97.02782	0.3
107.01248	0.4
117.27647	0.2
123.00799	0.5
125.02290	0.6
132.02107	0.3
139.00249	0.3
144.86749	0.3
145.02863	0.8
151.00240	0.9
153.01842	0.4
157.02806	0.6
161.02132	0.3
169.01328	1.1
171.00809	0.4
172.01591	1.1
173.02354	0.8
181.01329	0.4
185.02390	1.8
187.00255	0.6
189.01883	0.4
199.00311	0.5
200.01122	0.7
201.01775	1.6
214.99779	0.8
216.00620	1.1
226.91525	0.2
226.99760	0.5
228.00574	1.3
229.01346	3.1
242.99339	2.1
244.00046	1.4
245.00885	1.2
254.99417	0.4
257.00909	1.1
267.88089	0.3
270.95926	0.5
270.98843	9.6
271.99490	1.9
282.98843	1.0
283.99658	2.8
285.00363	3.1
295.02420	0.3
298.98318	16.5
299.99072	17.0
300.99863	100.0
302.00223	7.2
386.29340	0.3
407.00409	1.1
450.99429	2.9
451.99414	0.4
483.02109	2.5
484.02481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65041	0.8
55.79454	1.0
58.66558	1.0
60.06576	1.0
63.84308	0.8
64.19453	0.9
65.00189	1.1
82.57483	0.9
95.01277	1.5
96.95886	8.3
101.80420	0.7
107.01274	2.4
110.37436	0.8
111.00742	2.4
111.56930	0.8
116.38906	0.8
123.00768	2.0
125.02325	9.3
126.02662	1.6
137.62996	0.9
139.00253	2.9
161.02309	1.4
163.00342	1.0
163.03926	1.2
166.99782	3.3
167.04892	1.1
169.01337	8.8
170.01680	1.2
173.02414	1.0
177.01842	1.5
183.04393	1.1
189.01845	1.9
195.04417	2.1
201.01799	1.6
207.04462	1.2
211.03999	1.6
216.00697	1.1
217.01373	1.7
223.03958	3.5
229.01443	1.7
229.31725	0.9
235.04050	1.7
237.01857	1.1
239.03506	3.0
242.99390	1.1
245.00938	1.2
247.02246	0.9
249.01842	1.3
251.03555	4.2
255.02989	1.6
263.03555	2.4
266.02100	1.3
267.03043	6.2
270.98740	2.7
273.00323	1.9
275.01978	2.1
277.01328	1.6
279.02991	3.9
282.01938	1.0
283.02448	2.2
283.99802	1.1
293.00946	1.6
295.02563	5.1
296.02911	1.3
298.98325	2.4
299.99063	9.6
300.99857	14.0
302.00208	2.3
305.00470	1.0
306.01523	1.4
307.02423	2.7
309.00388	1.9
311.02112	4.5
312.02341	1.1
312.99960	1.2
316.99481	1.3
321.00409	3.3
322.01114	2.7
323.01895	11.5
324.99847	2.2
333.00464	2.1
334.01450	1.3
335.01947	8.7
337.00015	1.3
338.00693	7.9
339.01389	13.0
339.98352	1.3
340.02054	1.2
348.99771	3.2
350.00458	2.4
351.01434	10.8
352.99374	2.6
360.99908	1.8
362.00803	1.1
363.01440	3.8
366.00186	4.9
367.00906	17.2
368.01395	2.5
376.99295	6.5
379.00870	14.2
388.99713	1.5
395.00427	13.0
396.00793	1.4
404.98834	7.0
407.00305	13.0
422.99973	8.7
424.00565	1.2
432.98376	18.7
433.98761	3.0
450.99402	100.0
451.99713	10.5
483.02026	83.0
484.02350	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66955	0.6
61.38276	0.6
62.95932	0.8
64.60076	0.7
67.06805	0.6
68.62714	0.7
71.00471	1.6
78.95772	51.2
83.88171	0.6
88.68206	0.7
96.96835	3.3
108.88290	0.7
150.97787	1.0
152.99493	67.3
171.00554	18.8
225.03473	0.7
227.03328	3.7
245.04282	100.0
246.04655	3.3
249.19333	0.9
253.21701	64.5
254.21950	4.7
260.06842	0.7
481.25684	37.4
482.26053	5.3
501.69608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62053	1.0
70.07154	2.1
70.07537	2.5
78.95771	59.4
82.69324	0.9
92.02061	0.9
96.96838	4.5
112.43727	0.9
126.93949	1.1
127.23410	1.0
150.92010	1.1
150.97891	1.8
152.99481	86.8
153.75534	1.0
153.99777	1.6
171.00529	15.7
185.71904	0.9
195.95277	0.9
215.49232	1.0
227.03171	7.7
245.04277	67.9
246.04561	2.0
247.52368	0.9
253.21700	49.0
254.21989	4.4
447.76959	1.1
481.25687	100.0
482.26013	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.9
57.03314	3.9
58.00441	1.5
58.30936	0.9
59.01251	43.8
61.98676	2.6
66.74010	0.8
67.01749	1.2
69.03326	1.2
69.46478	3.6
69.46903	3.9
71.01251	35.9
72.99194	2.5
73.02823	10.0
79.95572	1.2
83.01261	7.1
85.02827	14.6
87.00740	2.5
88.03944	1.2
89.02318	17.7
95.01257	3.6
96.95871	1.4
97.02817	2.0
99.00749	5.1
101.02322	31.4
107.01261	12.1
108.09879	0.9
111.00769	4.4
113.01615	1.4
113.02337	14.1
115.03893	1.0
119.03381	2.0
119.04893	1.5
123.00783	6.7
125.02338	26.6
131.03395	11.7
137.02383	1.3
139.00255	2.3
141.01839	1.0
143.03427	2.0
145.02829	2.7
147.04488	1.2
149.04414	5.1
151.00189	1.3
153.01875	1.3
157.02844	0.9
159.02940	2.2
160.01500	0.9
161.02315	2.0
161.04440	7.4
163.00197	2.6
166.99693	5.4
168.00475	2.1
169.01341	39.4
170.01706	1.1
173.02298	1.8
175.03935	1.1
177.01836	2.5
185.02345	1.1
189.01811	2.3
190.02455	1.2
191.03450	1.8
192.99557	3.7
201.01889	1.8
203.03618	1.1
206.99301	1.1
214.99800	1.3
217.01364	3.7
229.01404	2.4
231.02969	1.6
233.06682	2.5
234.01718	1.3
242.99271	1.1
245.00871	3.0
247.02505	1.6
257.00830	1.9
259.02084	1.1
261.00360	1.4
270.98816	2.1
271.02203	1.0
271.99521	1.2
273.00388	3.5
274.00766	1.5
275.02032	3.9
287.01962	1.5
289.13324	1.7
289.16559	34.4
290.16830	2.4
298.98416	1.3
299.99124	3.6
300.99878	30.5
302.00220	1.6
303.01297	1.2
319.03320	2.1
344.93518	1.2
402.52380	1.1
421.20770	100.0
422.21103	12.6
468.04666	1.6
478.79956	1.0
481.07977	4.0
481.17053	2.3
481.25995	1.6
482.04147	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32647	0.2
57.40266	0.2
59.01245	1.9
70.53320	0.4
70.53652	0.4
71.01261	1.3
85.02785	0.3
89.02334	0.4
95.01274	0.5
113.02311	0.4
117.03333	0.3
122.03590	0.3
123.00754	0.6
125.02367	0.5
129.03358	0.6
133.02846	0.3
145.02846	1.0
147.04387	0.4
157.02875	0.8
161.02380	0.2
161.50362	0.2
163.03868	0.7
173.02364	1.7
175.03929	0.6
177.01884	0.4
184.01599	0.3
185.02388	3.0
189.01842	0.3
190.72679	0.2
191.03290	0.4
201.01854	3.2
203.03435	1.5
213.01875	0.6
217.01355	0.8
226.99844	0.6
229.01370	5.4
230.01750	0.5
231.02986	0.6
244.00104	0.4
245.00842	2.1
247.02484	0.5
249.04071	0.7
254.99371	0.4
257.00873	3.9
258.01337	1.1
273.00308	0.9
274.01129	0.3
275.01950	8.6
276.02325	0.7
276.89572	0.2
283.99576	3.4
299.99060	2.9
300.99863	100.0
302.00208	8.8
302.03671	0.5
421.04901	0.3
481.06155	9.5
482.06592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
70.96076	0.8
70.96451	0.3
71.01248	1.2
72.16685	0.3
80.39197	0.2
85.02840	0.3
92.52293	0.3
95.01292	0.4
101.02347	0.3
107.43674	0.3
117.03362	0.3
123.00728	0.7
129.03316	0.3
145.02858	1.3
147.04405	0.8
157.02850	0.8
159.04488	0.3
161.02341	0.4
163.03922	0.6
173.02335	2.5
175.03873	0.7
185.02370	3.9
186.02617	0.4
189.01895	0.4
191.03484	0.3
199.00204	0.3
201.01886	3.3
203.03421	1.5
213.01854	0.8
217.01372	0.7
219.02890	0.6
220.39198	0.3
226.99908	0.6
228.00502	0.5
229.01366	6.3
230.01808	0.5
231.02846	0.5
244.00232	0.3
245.00880	2.2
247.02414	0.6
249.03975	0.8
254.99283	0.4
257.00882	5.1
258.01544	1.1
273.00363	0.3
274.01334	0.3
275.01968	9.2
276.02286	0.9
283.99588	3.9
284.84540	0.3
299.99072	3.3
300.99878	100.0
302.00214	8.1
340.71445	0.3
481.06213	12.8
482.06522	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83014	0.2
59.01265	1.0
71.01275	1.0
71.13560	0.4
71.13887	0.6
89.02332	0.5
97.64346	0.3
101.02330	0.3
123.00793	0.6
125.02360	1.1
128.17348	0.3
145.02861	0.6
147.04509	0.6
151.33246	0.3
157.02867	0.7
159.04428	0.4
163.03947	0.4
169.01392	1.3
173.02365	1.7
175.03917	0.4
185.02374	2.0
185.84833	0.3
189.01910	0.6
191.03395	0.4
201.01816	2.3
203.03502	0.9
213.01912	0.7
224.79958	0.3
226.99907	0.5
228.00412	0.4
229.01352	5.4
231.02863	0.7
245.00844	1.7
249.04019	0.4
257.00894	3.5
258.01529	1.3
259.58508	0.3
273.00296	0.6
275.01993	8.8
276.02380	0.7
283.99670	2.6
299.99106	2.3
300.99881	100.0
302.00229	7.4
437.10968	0.5
481.06140	12.0
482.06451	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	479.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.8
57.03333	2.8
58.00446	0.7
59.01250	21.2
60.01600	0.6
61.98695	1.8
68.99687	0.5
69.03300	0.7
71.01254	31.0
71.56059	0.6
72.01569	0.6
72.99169	2.1
73.02818	12.5
75.00737	0.7
76.70748	0.4
78.95760	1.0
79.95610	1.2
80.96386	0.6
83.01252	7.1
85.02821	19.6
85.99966	0.9
86.03106	0.5
87.00755	3.0
87.04428	0.5
89.02307	4.0
94.61050	0.4
95.01247	3.0
96.95901	1.1
97.02843	2.6
99.00755	5.8
101.02322	30.8
102.02653	0.8
111.00762	5.3
113.02326	11.3
119.03379	1.1
123.00700	0.4
125.02312	1.3
129.01839	1.4
135.08102	0.5
143.03384	0.8
149.04456	0.8
153.09113	1.4
159.02925	3.1
161.04459	8.6
169.01315	0.8
171.13841	0.8
173.11769	0.5
185.15425	1.0
211.13316	4.1
213.18591	0.7
271.02292	0.6
315.25226	2.4
316.02274	0.8
317.02951	0.6
317.26968	9.8
419.26355	0.7
432.15695	0.4
477.30417	0.7
479.32233	100.0
480.32629	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	479.3012
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
52.98492	0.2
57.03316	0.3
58.95000	0.3
59.01248	2.8
60.57190	0.3
61.98698	0.3
62.08181	0.3
68.47675	0.3
70.33955	1.1
71.01256	2.7
73.02821	1.0
76.44492	0.3
78.95776	0.4
80.96364	0.3
83.01271	0.4
85.02821	1.2
96.95934	0.3
99.00739	0.6
101.02309	2.4
113.02322	1.1
125.02313	0.8
142.43745	0.3
144.65567	0.3
152.99467	0.3
159.02925	0.3
161.04459	1.3
186.85509	0.3
190.98386	0.3
194.99268	0.8
217.00294	0.7
232.97427	0.5
245.26036	0.3
316.02112	0.3
357.42291	0.3
385.39465	0.3
389.66788	0.3
479.30109	100.0
480.30453	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.4
63.02267	3.0
65.00195	4.2
69.55653	2.6
70.92590	0.4
71.01267	0.3
74.02348	0.7
76.28619	0.3
83.01255	3.7
86.34926	0.4
87.31235	0.4
89.14861	0.4
91.01744	0.3
107.01266	11.3
108.01584	0.4
109.02839	5.7
111.21300	0.4
123.00754	1.1
124.01527	1.5
125.02352	2.1
136.01556	2.7
137.02341	19.6
138.02672	0.7
147.89676	0.3
151.00272	47.2
152.01059	5.1
152.34982	0.3
153.01440	0.5
161.02351	0.7
163.00261	2.6
164.01068	4.2
165.01825	1.6
165.27184	0.3
169.01315	5.0
177.01828	0.7
178.99780	47.2
180.00079	2.1
190.99786	1.0
192.00577	2.9
193.01341	2.0
199.77487	0.4
203.03436	0.9
204.04210	0.8
214.02710	0.6
219.02878	0.5
227.03481	0.7
229.05060	0.3
232.03683	1.4
242.02074	0.6
243.02971	0.8
245.04408	0.5
246.80229	0.4
255.03035	0.5
259.02539	1.1
261.03836	0.4
270.01694	0.9
271.02493	6.0
272.02985	0.6
287.01938	3.9
288.02243	0.9
289.03445	0.6
297.24609	0.4
299.01883	0.9
315.01532	1.2
316.02222	26.1
317.02991	81.5
318.03378	7.4
437.01279	0.4
461.07516	0.8
478.26517	0.5
479.08286	100.0
480.08655	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	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.1
60.35517	1.2
61.32205	1.1
65.00172	1.7
69.40575	11.3
71.53677	1.2
72.54321	1.1
76.68836	1.1
95.01258	2.1
96.79606	1.1
109.02814	2.4
109.99967	8.9
111.00732	5.3
116.96142	1.3
123.00782	2.6
124.01557	2.3
125.02344	6.5
136.98730	2.6
137.02322	2.3
137.99429	2.8
139.00258	12.6
140.01007	3.1
143.04950	1.6
151.00273	8.3
152.01054	8.0
153.01692	1.9
159.04443	3.1
163.00322	3.5
165.01900	1.7
165.98975	11.8
166.99812	3.2
169.01312	5.1
171.04402	1.6
174.03091	1.5
175.03886	1.9
177.01816	2.7
178.99785	13.2
180.00433	2.2
181.01311	1.5
187.03932	3.5
190.02562	1.5
192.00635	2.1
194.99261	2.2
201.01868	1.9
203.03427	4.8
204.04268	1.3
205.01326	1.5
206.99341	2.2
213.01805	2.1
214.02563	1.7
215.03497	6.2
217.01317	2.4
218.02051	1.6
219.02890	2.7
221.00844	2.9
229.01361	2.6
230.02209	2.9
231.02919	5.1
231.66606	1.3
232.03493	1.5
233.00890	2.0
241.01483	1.7
242.02124	2.2
243.03014	7.0
244.03569	1.6
245.00804	2.1
247.02496	3.6
258.01682	2.8
259.02429	9.6
260.02841	2.5
261.03995	2.1
269.01074	1.8
271.02463	8.0
275.01880	1.9
286.01111	3.9
287.01981	36.5
288.02499	5.5
289.03644	6.4
297.00391	3.5
303.01376	6.1
304.02148	5.1
305.02899	2.5
314.00284	1.6
315.01447	48.2
316.01917	6.6
331.00952	1.5
332.01712	100.0
333.02417	41.0
334.02753	2.2
435.09167	1.6
461.07312	3.7
479.08255	93.4
480.08646	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	479.083
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
59.54054	0.5
59.62989	0.5
63.02272	0.6
65.00188	1.1
71.04651	0.6
71.04978	1.0
86.26453	0.5
107.01266	1.0
109.02771	0.9
124.01526	2.1
124.16985	0.5
125.02328	0.5
135.00743	0.6
137.02332	2.3
142.64490	0.5
149.66815	0.5
151.00275	5.7
152.01019	0.8
161.02330	1.5
163.00253	0.9
164.01068	1.6
169.01347	1.3
178.99809	6.3
189.01836	0.8
191.03436	0.8
203.03484	0.6
214.02664	6.4
215.03293	1.2
217.01370	0.9
227.03558	0.8
231.02678	0.7
242.02184	5.5
243.02925	3.8
245.00854	1.1
259.02451	6.0
260.02774	0.6
261.00375	1.5
263.01727	0.6
270.01712	6.6
271.02469	36.5
272.02863	2.9
274.38770	0.5
287.01959	21.5
288.02423	3.6
288.99960	1.4
315.01456	0.9
316.02219	100.0
317.02802	20.8
318.03207	1.2
479.08304	66.4
480.08652	8.3
481.66071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48213	0.7
59.01236	1.6
63.02265	1.2
65.00187	3.5
69.54893	1.1
69.55301	4.2
71.01273	0.9
72.84044	0.6
79.06618	0.5
83.01250	1.9
86.78827	0.6
89.80393	0.6
95.01265	0.9
99.00719	0.8
107.01280	4.9
109.02838	2.4
109.99966	3.5
111.00750	2.6
112.13160	0.7
123.00774	3.7
124.01517	1.7
124.61594	0.8
124.98680	1.0
125.02341	1.9
134.99380	0.6
135.00739	1.8
137.02348	7.8
137.99467	1.6
139.00273	5.6
140.00772	0.6
151.00276	19.8
152.01060	3.7
159.04398	1.4
161.02309	1.0
161.38678	0.7
163.00282	3.0
164.01100	1.4
164.98189	1.5
165.01801	2.5
165.99005	4.9
166.99779	1.7
169.01344	2.0
173.02266	1.0
174.03114	1.4
175.03923	1.5
177.01866	1.4
177.99112	1.0
178.99780	21.3
180.00456	2.4
185.02374	1.5
187.03961	2.1
189.01852	1.6
190.02707	0.9
190.99797	2.4
191.03445	0.9
192.00549	1.7
193.01231	1.5
194.99243	0.9
195.02988	3.3
199.04001	0.8
201.01877	1.5
202.02679	1.9
203.03406	2.4
205.01360	2.4
206.02040	1.3
206.99274	1.9
208.00119	1.1
213.01906	2.2
214.02644	2.2
215.03410	2.6
217.01280	1.6
218.02036	1.4
219.02881	1.9
221.04510	1.2
222.01610	2.3
227.03377	1.6
229.01422	3.1
230.02167	1.8
230.99284	1.4
231.02994	3.3
232.00157	1.0
233.04604	0.8
233.07317	0.7
241.01419	1.5
242.02151	2.1
243.02869	4.3
245.00969	1.9
246.01385	1.0
247.02380	3.1
251.03181	0.8
256.03488	0.8
257.00870	2.7
258.01700	6.1
259.02457	5.8
260.03168	0.9
269.00970	2.4
270.01547	1.9
271.02423	7.8
275.01993	4.6
285.00378	3.0
285.03696	1.3
286.01147	7.1
287.01956	19.7
288.02490	4.3
301.03598	1.6
303.01416	7.2
303.05042	3.0
304.02032	1.9
310.23932	0.8
312.99985	0.9
314.00723	2.5
315.01407	14.1
316.02139	8.8
317.02982	36.3
318.03348	4.0
329.03009	9.0
330.03314	1.3
331.00955	20.5
331.04364	1.0
332.01700	37.9
333.02136	3.7
346.03076	6.2
347.04053	66.8
348.04340	6.4
379.06485	0.7
403.06851	1.5
419.06046	3.6
447.05627	6.9
448.06271	2.9
461.07169	1.1
464.05927	10.1
465.06314	1.0
479.08298	100.0
480.08569	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	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
63.02264	4.8
65.00195	10.6
67.01783	1.8
70.06076	7.6
71.01254	2.6
83.01268	6.5
95.01255	8.0
96.99187	2.8
99.00762	2.8
106.00491	3.6
107.01275	16.4
108.97028	1.4
109.02822	14.2
109.99972	5.5
111.00782	11.0
119.01324	1.6
120.99534	2.7
121.02833	3.3
123.00774	13.0
124.01558	3.2
124.98676	3.2
125.02312	11.7
127.00303	2.8
131.04918	2.3
133.02824	4.1
135.00755	3.8
136.98708	4.6
137.02290	7.9
139.00266	15.5
143.04887	4.0
145.02853	3.1
147.04433	3.6
149.02354	4.8
149.99495	5.3
151.00279	49.9
151.01526	2.6
151.03874	1.5
151.99561	1.5
152.00842	7.6
153.01837	4.9
153.99022	1.8
154.99722	1.8
156.31711	1.8
157.02786	1.7
158.03683	2.2
159.04391	8.3
161.02338	6.2
163.00302	5.6
163.03902	3.0
164.00885	2.4
164.98288	3.3
165.01790	3.0
165.99016	6.8
166.99763	10.9
168.00537	6.7
169.01321	12.6
171.04430	5.9
173.02362	4.3
174.03151	3.0
175.03885	7.2
176.01070	1.9
177.01874	5.1
177.05565	1.7
177.98955	9.0
178.99779	56.3
179.03374	1.6
180.00212	5.3
181.01355	4.1
187.03938	11.7
189.01904	5.3
189.05571	2.8
190.02542	3.6
190.99808	2.6
191.03391	4.5
192.00595	2.7
193.01350	4.0
193.98451	2.7
194.99281	8.4
197.00754	3.5
199.03957	6.0
200.04469	2.9
201.01872	6.4
202.02599	2.0
203.03448	16.1
204.03877	6.1
205.01378	3.7
205.05040	2.3
206.99248	8.0
207.02869	3.3
209.00848	2.4
213.01874	4.5
214.02594	3.8
215.03496	12.2
216.03946	3.5
217.01358	7.1
217.05023	3.6
218.02159	2.1
219.03014	5.1
222.98842	3.5
227.03468	3.2
229.01382	5.7
230.02019	3.5
231.02914	13.6
232.03627	11.5
233.00858	2.5
233.04535	15.2
234.01534	2.2
235.60387	1.7
241.01338	2.8
242.02119	2.4
243.02968	15.2
244.03378	3.1
245.00885	5.6
245.04445	2.6
247.02425	5.4
257.00974	2.1
258.01645	5.0
259.02460	17.9
260.02905	8.8
261.01572	1.6
261.04044	11.4
266.99323	4.4
269.00925	2.3
270.01434	1.7
271.02444	24.4
272.02765	8.4
273.00443	3.7
274.01199	5.2
275.01663	2.6
286.01123	2.1
287.01944	49.3
288.02356	19.3
289.03543	13.5
297.00479	5.5
299.01895	7.4
300.02481	2.0
300.99823	4.2
303.01395	3.1
305.03159	2.5
310.98526	1.7
314.00778	3.5
315.01456	90.8
316.01825	36.2
317.02936	25.5
318.03415	6.8
328.99207	1.7
332.01773	12.3
333.02493	17.5
339.07135	3.4
343.06689	5.7
379.10205	3.2
407.09982	2.5
461.07526	7.9
479.08206	100.0
480.08789	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	479.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03435	0.9
55.43135	0.9
58.35974	1.0
59.01249	6.9
63.02267	1.8
65.00201	12.5
68.99692	1.0
70.05355	4.3
70.49960	1.0
70.59134	0.9
71.01250	2.9
73.02837	0.9
78.95801	1.3
83.01268	5.7
89.02317	2.7
95.01270	2.9
98.20482	1.2
99.00751	1.7
101.02319	1.8
107.01263	15.5
108.02062	1.2
109.02837	5.5
111.00761	6.2
113.02336	1.6
123.00770	4.6
124.01563	1.4
125.02357	0.9
132.01385	1.1
133.02776	1.5
136.98712	1.0
139.00267	10.4
148.01515	1.0
149.02309	1.9
151.00270	100.0
152.00868	4.9
153.01797	1.1
153.99106	1.3
154.99750	1.7
157.02859	1.1
163.00224	1.1
164.98254	1.2
166.99788	2.7
168.00555	4.4
169.01305	3.9
173.02338	1.1
174.03160	1.5
175.03874	2.9
177.01897	1.2
178.99767	24.2
180.00336	1.1
181.98482	1.5
183.02916	3.6
185.02513	1.0
187.03906	2.6
189.01869	1.4
191.03427	1.1
193.01405	1.3
194.99287	2.7
195.02856	8.2
195.99886	0.9
199.03865	2.2
201.01894	1.4
202.02515	1.8
203.03450	2.4
207.02887	1.0
208.00061	2.2
211.02419	61.7
211.13324	1.2
212.02798	3.1
213.01805	1.5
214.02599	1.9
215.03450	2.6
221.00920	1.3
223.02362	2.9
225.01839	1.2
229.01385	2.3
230.02315	1.1
231.02943	2.3
232.03729	3.0
241.01416	1.4
242.02155	3.3
243.02869	3.8
245.00798	1.7
246.01508	1.2
247.02312	1.3
247.06087	1.8
257.00851	1.9
258.01709	2.9
259.02332	3.3
260.03314	1.8
269.01022	1.3
270.01852	2.3
271.02469	8.9
272.02933	1.7
273.03546	1.3
275.02081	1.0
275.05478	3.5
286.01190	3.9
287.01920	8.7
288.02606	4.0
299.02066	1.4
300.02710	2.9
301.03540	3.9
303.01675	0.9
303.05099	4.1
314.00702	2.8
315.01437	7.3
315.05093	2.5
316.02115	2.0
319.04520	1.7
327.07053	3.1
329.02979	7.3
330.03391	1.4
331.01041	1.9
332.01691	6.2
346.03461	1.2
347.04071	26.2
348.04510	3.5
403.06940	1.1
419.05984	2.8
419.25574	1.1
424.68414	1.1
433.07321	1.5
447.05701	7.9
448.06497	1.4
461.07141	1.8
479.08340	22.2
479.32477	1.9
480.08633	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	477.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02086	0.7
59.01252	100.0
60.01593	1.1
60.41818	0.7
61.98705	0.9
62.09603	0.7
71.56981	1.5
80.96411	2.0
95.01330	0.9
96.95905	0.9
133.80167	0.7
169.01343	1.0
171.10181	3.9
200.59866	0.7
300.99899	3.0
335.21674	0.7
352.95554	0.8
373.06235	2.1
401.19910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90961	0.2
56.86580	0.2
78.95774	7.5
86.31647	0.2
105.19875	0.2
121.99965	0.2
140.01085	1.9
152.99483	0.9
171.00529	0.6
196.03793	1.1
203.71921	0.2
205.92361	0.2
214.04822	2.4
217.00150	0.3
281.24835	100.0
282.25195	10.8
342.10962	0.2
477.58957	0.2
478.29361	9.3
479.29538	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42043	0.4
52.71417	0.5
54.17915	0.4
54.50171	0.4
59.01245	1.8
66.16207	0.5
66.22756	0.4
66.48292	0.5
71.56716	0.6
78.95779	32.3
87.29787	0.5
96.96862	1.3
122.00036	0.7
140.01082	5.2
152.99495	4.5
160.28578	0.5
165.88622	0.4
171.00555	3.4
196.03741	10.0
214.04842	1.9
217.00287	0.6
232.97516	1.0
281.24860	100.0
282.25208	10.3
335.35068	0.5
478.29407	40.5
479.29617	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.0
68.25375	1.8
71.01248	3.4
71.32889	3.0
85.49046	1.6
89.02289	4.4
89.60651	1.5
94.85879	1.6
108.63817	1.8
111.00728	2.7
113.02314	2.6
119.04969	1.8
125.02306	2.8
131.07045	11.3
134.05957	1.9
137.02339	2.3
139.00278	2.9
140.01111	3.1
149.73755	1.7
163.03905	2.9
168.00580	5.1
169.01266	3.2
173.02235	2.0
175.03885	2.1
183.02913	100.0
184.03210	5.0
186.11555	1.8
191.03426	3.5
207.02898	2.5
219.02911	5.7
245.00912	5.9
263.01929	3.7
293.12399	44.4
293.15460	3.3
294.12976	2.4
306.46780	1.7
310.62592	1.6
322.09946	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	477.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01252	2.8
61.98705	0.3
62.76304	0.4
67.01770	0.3
69.03326	0.3
71.01253	4.5
71.10075	0.7
73.02814	1.3
74.02331	0.3
75.52727	0.3
83.01244	0.9
85.02812	2.0
87.00737	0.8
87.16743	0.3
89.02321	0.7
92.95584	0.3
93.03343	0.3
95.01246	1.5
97.02850	0.6
99.00748	0.6
101.02323	1.8
105.03372	0.4
107.01260	0.5
109.02836	0.4
113.02321	1.4
117.03347	0.7
119.04923	0.4
123.00770	11.4
123.01662	0.6
124.01556	25.6
125.02371	2.8
132.02068	21.5
133.02921	2.4
134.03638	14.9
135.04454	1.4
136.01573	0.4
137.02292	1.6
138.03122	3.7
139.00276	0.5
139.03911	9.7
145.02844	0.3
147.04373	0.4
149.05980	2.5
151.00270	1.3
160.01569	89.1
161.02327	7.6
161.04469	0.7
166.99768	0.4
167.04752	0.3
169.01360	2.1
174.03023	0.3
175.03922	100.0
176.04271	4.7
177.01801	0.4
178.02620	1.1
178.99812	0.9
179.03421	1.2
191.03516	0.4
191.06956	0.4
193.04993	13.2
194.05257	0.4
199.03810	0.4
202.02567	0.3
203.03424	0.4
214.02687	0.3
217.01329	0.6
217.05020	0.7
228.76556	0.3
229.01280	0.6
230.02211	0.4
233.00870	0.5
235.62169	0.3
243.02994	0.7
247.02301	0.4
265.03656	0.4
270.01675	0.5
271.02441	1.0
272.02887	0.4
277.07053	0.4
286.01266	0.5
287.02023	0.4
291.01129	0.3
292.32239	0.3
298.04202	0.3
299.02066	0.4
300.02448	0.6
300.99918	1.0
301.03430	0.7
307.08517	0.3
315.01596	0.6
315.04922	0.4
316.02142	0.4
323.07788	2.3
337.09265	22.3
338.09601	2.1
345.02390	0.4
371.14877	0.4
401.08685	0.5
433.11484	1.5
477.14041	55.0
478.07730	0.6
478.14273	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	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74456	1.4
57.51943	1.4
59.01250	71.5
65.00201	1.9
71.01258	19.3
71.57033	2.1
72.99178	2.1
73.02839	2.1
78.95742	1.3
81.03307	1.6
83.01257	2.7
85.02834	10.5
87.00762	2.7
89.02321	11.0
90.96227	1.3
91.01796	1.5
95.01260	5.1
97.02841	1.9
101.02328	10.4
107.01263	5.8
108.02058	29.3
109.02852	18.9
109.41737	1.5
113.02325	6.9
117.03340	12.6
119.01262	7.9
119.03395	3.9
119.04939	5.1
121.02853	5.6
123.00758	8.7
123.04411	1.4
125.02333	12.4
133.02827	1.9
135.04439	4.2
137.02374	2.1
139.00272	4.6
145.02844	36.6
147.00829	6.5
149.02339	14.0
149.04433	1.4
150.03128	3.1
151.00307	9.4
152.01012	3.2
153.01836	4.1
154.02539	3.4
155.10597	2.2
161.02403	2.3
161.04488	5.5
162.03198	1.8
163.00262	1.6
163.03938	8.9
164.04739	10.2
165.01839	2.8
165.05511	3.4
166.99791	2.6
167.03391	2.2
168.00624	2.4
169.01358	17.2
169.04977	3.5
171.04625	1.4
175.00287	37.2
175.03915	3.2
176.01057	7.6
177.01910	4.1
178.99785	3.8
179.05537	4.8
179.06979	3.0
187.03964	2.5
189.01868	2.9
190.02646	96.0
191.03378	19.9
193.01436	1.9
194.02156	1.5
199.03946	2.6
203.03412	6.9
205.04996	100.0
206.05392	4.0
209.04407	3.3
215.03506	4.8
217.01279	2.1
223.06010	11.9
227.03670	1.8
231.02977	6.0
241.01343	2.2
243.02982	9.0
258.01584	3.0
259.02448	11.5
271.02493	12.2
286.01181	1.9
287.01932	21.6
287.04840	2.4
297.12695	1.7
299.02032	3.5
300.02838	4.1
300.99948	3.5
301.03503	2.1
307.08337	5.8
314.04205	1.9
315.01581	32.9
315.05173	5.3
316.02188	2.2
317.03082	7.6
329.03235	2.1
337.09186	1.9
343.01212	2.0
353.08722	3.5
367.10318	21.5
373.02014	3.3
417.25208	3.1
462.11765	2.2
477.07037	9.9
477.14120	96.4
478.07663	46.9
478.14441	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	477.1038
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.97815	0.3
54.62180	0.3
59.01246	1.8
59.73063	0.3
63.02255	0.5
65.40250	0.3
66.84818	0.3
67.55444	0.3
68.51778	0.2
69.23235	3.6
71.01229	0.8
83.01270	0.6
85.02834	0.4
89.02311	0.6
95.01227	0.3
98.20482	0.6
101.02299	0.5
107.01257	1.4
109.02863	0.3
114.32237	0.3
120.73502	0.3
121.68448	0.3
123.00747	0.5
125.02317	2.3
133.02841	0.5
143.04820	0.4
147.04422	0.4
148.01591	0.4
151.00262	3.4
153.01834	0.4
157.02878	0.4
161.02232	0.3
163.00308	0.5
164.01030	0.5
169.01355	2.6
171.04358	0.9
175.03908	1.4
175.05313	0.3
178.99762	0.6
187.03967	0.7
189.01888	0.6
191.03285	0.4
197.02382	0.4
197.11818	1.5
198.03386	0.3
199.03928	6.2
201.01875	2.2
203.03435	1.3
203.10692	0.8
215.03426	5.1
216.00656	0.4
216.03874	0.6
225.01924	0.7
226.02647	1.5
227.03429	4.9
228.03778	0.4
229.01335	1.3
232.00029	0.5
242.02144	10.4
243.02940	48.0
244.03317	3.5
254.02106	0.6
255.02992	1.3
257.04507	14.3
258.04904	1.1
270.01678	13.1
271.02451	59.4
272.02814	5.3
285.04022	24.7
286.04700	7.8
287.02005	0.8
287.05222	0.7
299.01947	26.8
300.02628	11.5
300.99863	0.7
301.03156	1.1
314.04294	47.5
315.05014	23.0
316.05392	1.9
329.06900	0.4
351.03564	0.8
357.06329	1.5
462.08044	3.1
477.10352	100.0
478.10760	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.4
59.01257	11.7
61.34351	0.9
65.00196	2.2
71.01262	7.9
71.12399	2.2
73.02821	2.6
81.03338	3.6
83.01258	1.9
85.02819	3.1
87.00744	1.6
89.02312	3.1
91.01777	1.7
93.03341	1.5
95.01261	1.7
96.95885	2.4
101.02305	6.1
105.15028	1.0
108.02074	1.6
109.02846	9.5
113.02338	2.9
119.01270	1.7
123.00777	2.1
125.02333	2.6
137.02341	52.1
138.02676	2.3
139.00290	2.4
145.02934	0.9
147.00787	4.9
151.00304	2.1
155.03366	2.8
161.04456	2.6
163.00287	8.5
164.01085	11.4
165.01845	64.3
166.02182	3.4
166.22923	1.1
169.01341	3.3
174.76208	1.1
175.00281	4.0
176.01007	2.1
177.01743	1.1
178.99780	9.5
180.00491	2.3
189.01857	1.6
191.03406	1.3
201.01842	1.0
202.02579	1.9
202.99767	11.4
204.00418	1.0
206.99338	5.0
208.00063	62.1
209.00848	100.0
210.01103	4.9
217.01135	1.1
230.02055	1.2
235.02409	1.2
245.00996	1.5
246.98819	39.4
247.99181	3.3
269.08539	1.1
279.01511	1.4
300.99783	1.7
314.70432	1.0
315.25525	2.3
357.09744	1.9
373.09329	2.0
386.51508	0.9
401.08792	4.7
412.14301	1.1
433.11432	9.5
434.11469	1.5
477.30649	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	477.1056
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
59.01234	4.7
59.36657	1.4
62.49314	1.3
62.95940	1.4
69.03317	1.7
70.50918	1.3
71.01250	6.1
71.55808	1.9
75.00756	1.5
83.01234	2.0
84.07157	1.3
87.00754	1.5
89.02316	2.2
95.01261	3.7
97.02830	1.4
101.02325	3.9
107.01261	12.6
108.01587	1.5
111.00763	2.9
113.02320	2.3
119.04916	71.2
120.05247	3.8
123.00759	19.9
125.02335	59.7
125.18179	1.4
126.02681	4.8
137.02339	2.6
139.00272	5.5
140.01064	2.6
141.01741	2.8
147.04359	2.1
151.00279	8.7
151.03822	1.2
153.49194	1.3
161.02403	1.6
163.03911	29.8
164.04297	1.7
166.99823	4.8
168.00519	5.3
169.01334	86.1
170.01665	7.1
171.01720	1.7
176.01031	1.3
178.99788	1.4
185.30498	1.2
189.01906	1.9
190.99741	1.5
191.03343	2.5
201.01826	2.2
203.03452	1.9
207.45926	1.4
210.08258	1.4
211.02435	2.3
217.01414	2.2
229.01408	2.4
231.03194	1.5
242.99484	1.8
245.00871	1.9
247.02420	3.2
249.03784	1.7
259.02588	1.4
273.00314	1.7
275.01941	2.8
287.01801	2.0
299.99152	3.9
300.99918	10.9
302.00192	6.7
303.00488	3.9
312.98163	2.1
313.05640	33.6
315.01175	1.9
354.21664	1.3
433.11487	9.1
439.54300	1.8
459.09161	2.6
477.10446	100.0
478.10889	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39718	1.2
52.97010	1.1
54.11079	1.1
55.01757	4.7
57.03310	4.2
58.00449	3.4
59.01251	58.8
61.98700	2.1
65.00198	1.6
65.03844	1.2
65.65105	1.2
67.00757	1.2
67.01753	1.8
69.03340	1.7
69.29276	1.8
69.29674	11.1
71.01253	64.3
72.99180	3.8
73.02820	17.2
75.00751	2.2
75.02263	1.8
77.86375	1.1
79.95570	1.9
81.03341	1.3
83.01259	10.6
85.02819	27.4
85.25401	1.1
87.00751	5.6
89.02319	34.5
91.01753	5.7
93.03345	4.5
95.01246	8.0
96.95895	1.6
97.02831	3.4
98.19814	1.8
99.00771	7.8
101.02321	63.1
106.06485	3.9
107.01220	1.5
108.02046	4.9
108.08056	3.0
109.02853	11.3
111.00767	3.2
113.02331	29.7
118.97968	2.6
119.01291	8.0
119.03384	12.6
119.04854	1.5
121.02845	3.0
121.06491	2.6
123.00742	4.4
124.01519	1.3
125.02373	7.0
129.01813	2.1
131.01308	5.9
131.03458	1.5
135.04393	2.7
137.02341	44.6
138.02707	1.2
139.00256	1.7
143.03383	6.8
144.04417	1.7
145.02931	1.3
146.05954	2.1
147.00792	27.1
148.01622	5.7
149.02272	1.7
150.05508	2.8
151.03920	1.7
152.07054	2.1
159.00751	4.8
159.02927	3.6
161.02362	2.3
161.04469	20.5
163.00291	7.4
163.03915	3.2
164.01053	9.0
165.01848	55.9
166.02167	2.3
169.01372	4.0
170.07085	1.1
170.08731	1.0
175.00299	23.7
176.01070	35.4
177.01794	6.1
178.99783	7.0
179.03447	3.5
179.05522	11.8
179.84868	1.3
190.02606	3.6
190.04964	2.6
190.99745	2.7
191.03465	7.7
192.00517	3.5
193.01241	1.8
202.99802	47.5
204.00459	5.6
205.01306	1.7
206.99406	5.6
207.02896	4.6
208.00087	33.4
209.00854	79.4
210.01187	3.7
218.99286	2.2
220.00035	2.1
221.00902	10.4
221.06604	1.9
235.02472	25.6
236.02808	2.0
243.92500	1.3
246.98814	100.0
247.99380	16.4
249.08900	2.7
279.01462	94.5
280.02045	9.4
300.99817	2.8
311.09244	1.6
315.13538	4.0
315.25424	6.4
316.13419	1.4
329.10211	3.2
339.08585	2.2
357.09702	4.0
370.30258	1.2
384.77841	1.2
389.12396	3.9
401.08981	3.5
433.11475	4.1
476.28348	1.9
477.11185	5.7
477.16953	1.3
477.23337	9.9
477.30612	36.8
478.30795	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	477.1052
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
50.88773	0.4
52.50802	0.4
59.01245	1.2
65.60182	0.4
69.03310	0.7
71.01251	2.4
71.38830	0.4
72.99166	0.5
73.02816	0.6
74.87114	0.4
79.01758	0.7
83.01264	0.6
85.02834	0.9
95.01273	1.2
97.02843	0.8
101.02328	1.4
107.01272	5.1
111.00774	1.0
113.02319	1.5
119.04915	52.3
120.05232	2.7
123.00762	8.2
124.01620	0.8
125.02335	38.2
126.02692	1.5
127.00302	0.5
130.92809	0.5
137.02353	0.6
139.00276	2.2
140.01048	1.8
141.01823	0.9
151.00273	6.5
153.01855	0.8
155.18959	0.4
163.03917	26.7
164.04242	1.3
165.01917	0.4
166.99791	0.7
167.03406	0.6
168.00580	2.4
169.01332	58.4
170.01706	2.4
211.02370	1.8
223.02492	0.7
241.03491	1.1
243.34123	0.4
253.03384	0.9
298.98135	0.7
300.99896	1.3
302.00244	0.9
313.05646	38.0
314.06049	2.5
374.19882	0.4
407.30624	0.4
433.11288	1.7
477.10373	100.0
478.10806	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.7
61.87783	0.1
65.00192	0.3
69.85052	0.7
71.01241	0.2
78.13506	0.1
82.20480	0.1
83.01257	0.2
89.02268	0.2
98.19848	0.2
107.01253	0.5
108.02014	0.8
113.02325	0.2
135.00816	0.4
143.04897	0.2
145.02800	0.2
148.01564	0.9
151.00282	1.8
152.00836	0.2
159.04494	0.2
163.00240	0.4
164.01022	0.4
169.01323	0.3
171.04410	0.3
178.99812	0.2
180.69881	0.1
183.04388	0.4
185.02403	0.3
187.03943	0.4
192.00555	0.2
198.03181	0.1
199.03894	1.6
201.01909	0.3
203.03387	0.4
211.03949	0.2
213.01718	0.1
215.03459	0.9
216.04108	0.3
226.02766	0.7
227.03421	2.0
228.03859	0.3
231.02982	0.3
243.02945	7.7
244.03474	1.0
254.02136	1.4
255.02953	17.5
256.03299	1.8
259.02484	0.5
271.02463	38.1
272.02927	4.4
287.01981	0.9
299.01959	10.4
300.02722	100.0
301.03091	9.6
313.03769	0.2
314.04440	0.7
315.05081	82.5
316.02072	1.6
316.05414	7.5
317.02762	0.3
330.03857	0.3
331.04645	1.2
345.06094	0.3
352.27225	0.1
374.28632	0.1
397.56042	0.1
403.99063	0.1
405.09793	0.1
462.08063	1.5
463.08017	0.2
477.10367	31.8
478.10788	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.6
59.89277	0.3
65.03835	0.4
67.01771	0.7
69.03332	2.0
71.14562	0.6
81.03320	0.5
83.04908	1.1
93.03329	6.0
95.01260	0.9
97.02826	2.9
107.01229	2.0
111.00779	0.6
111.04404	2.4
119.04919	1.2
123.00770	1.4
124.01562	1.5
125.02337	76.5
126.02682	3.2
134.03502	0.4
137.02336	2.4
139.00290	0.8
140.01086	1.1
145.02855	0.4
155.03375	1.6
163.03934	1.1
166.06210	0.5
166.99757	0.4
168.00568	5.0
169.01334	100.0
170.01677	5.2
173.04590	0.3
181.08821	0.4
201.05464	4.1
203.03484	0.4
229.01454	0.5
245.00883	0.4
247.02504	0.4
257.76224	0.3
263.05627	0.4
273.00302	0.6
289.03543	0.7
300.99829	1.2
302.00189	0.7
307.04504	1.3
309.69305	0.3
313.05453	0.5
325.05682	6.0
326.05838	0.5
333.93396	0.4
477.06625	16.9
478.06979	2.1
498.57568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69984	0.2
55.76812	0.2
59.01234	0.5
63.09501	0.3
66.61098	0.2
70.62676	0.6
70.63003	0.2
78.95773	7.1
119.74080	0.2
120.87021	0.2
121.99970	0.2
134.92522	0.2
140.01071	1.9
152.99461	0.7
171.00468	0.5
191.01917	0.2
196.03810	1.1
208.92064	0.2
214.04813	2.8
261.22238	0.5
279.23273	100.0
280.23615	9.0
332.40567	0.3
476.27771	8.9
477.28128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.8
69.28291	0.9
69.28714	0.5
78.95777	22.6
83.04890	0.1
96.96838	0.2
98.19843	0.3
122.00027	0.9
125.02306	0.2
134.98418	0.3
140.01082	5.7
152.99512	1.8
166.02658	0.3
169.01289	0.3
171.00546	0.2
182.02383	0.1
196.03735	11.6
196.35281	0.1
197.04181	0.2
214.04790	2.7
261.22183	0.5
279.23282	100.0
280.23624	10.6
280.26791	0.3
299.99008	0.2
300.99976	0.3
302.00342	0.2
331.07120	0.2
415.22546	0.2
476.27823	24.0
477.28131	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.6
59.01249	100.0
60.01591	1.0
65.07928	0.4
69.25113	4.5
69.41220	0.4
71.01253	15.3
72.99194	1.5
73.02834	0.6
80.66139	0.4
85.02828	2.5
85.19080	0.4
87.00774	1.1
87.88550	0.5
89.02316	27.2
95.01277	1.7
99.00781	0.4
101.02322	8.6
106.66460	0.4
107.01286	1.6
113.02322	6.8
119.03389	9.6
123.00798	1.0
125.02324	4.3
131.03462	0.9
139.00279	0.4
140.01041	0.5
143.03436	1.9
145.02791	0.5
149.04497	0.9
161.04503	2.2
169.01346	4.9
169.02652	0.7
179.05545	6.6
189.01970	0.5
217.01247	0.5
229.01343	0.6
245.00949	0.6
247.02568	1.0
300.99869	2.2
305.01825	0.6
349.01135	0.9
369.09149	0.5
438.54211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97388	5.8
52.70228	5.7
56.94504	5.5
59.01252	20.7
61.35395	5.6
64.21638	5.8
70.85400	18.5
79.95609	10.6
80.96398	6.3
96.95879	13.7
98.20227	7.5
107.01255	11.6
123.00792	15.0
124.49493	5.6
125.02347	56.3
136.42389	5.9
145.02831	6.3
152.99719	5.5
166.99756	11.7
169.01318	73.9
173.02428	6.3
183.38115	6.8
193.32028	5.9
245.00864	8.6
273.00528	8.9
277.21704	100.0
278.22153	8.7
279.23193	19.5
288.02246	6.4
300.99863	55.2
302.00256	9.7
374.41293	6.0
475.34277	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	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81744	4.0
53.37071	3.9
59.01234	17.7
59.85715	3.6
70.85708	4.6
70.86067	13.7
71.01242	18.6
73.02810	4.9
79.95596	9.2
89.02330	7.2
107.01260	15.0
115.63076	3.7
123.00819	5.7
125.02363	25.7
169.01320	32.5
273.00354	8.5
277.18591	5.5
277.21680	100.0
277.24457	7.4
278.22144	13.1
279.23233	34.1
291.23343	6.9
300.99841	34.3
319.22809	12.0
326.19434	4.9
347.25885	4.9
475.24503	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	475.197
Annotation	Toonaciliatin G
Peak:m/z	Relative Intensity
55.01748	0.2
55.34343	0.2
57.03312	0.4
57.07680	0.2
58.00455	0.6
59.01249	19.0
60.01592	0.4
66.40561	0.2
69.03314	0.7
69.29103	0.2
69.36372	0.4
69.36781	1.7
71.01254	4.8
72.99175	1.3
73.02821	1.7
75.00760	0.3
79.95598	0.3
81.03335	0.4
83.01263	0.6
85.02820	2.8
87.00758	1.1
89.02307	2.9
93.03320	0.8
95.01263	0.4
96.01659	0.3
96.95894	0.5
97.02858	0.4
98.99026	0.2
99.00793	0.3
99.04388	0.3
101.02314	2.2
103.03905	0.5
107.01284	1.4
109.02840	1.6
113.02324	1.0
117.03370	0.2
119.03386	0.7
121.02837	8.0
123.00765	1.1
123.04390	0.3
125.02346	3.6
131.04922	0.4
134.05977	0.5
135.04372	0.5
139.00270	0.3
143.03424	0.3
144.04857	0.2
145.02870	0.7
147.04436	0.6
159.04413	3.9
160.05066	0.3
161.02336	0.3
161.04430	0.9
161.05838	0.3
163.00230	0.4
166.99782	0.9
168.00539	0.9
169.01335	5.3
170.01682	0.4
171.04443	0.3
173.02400	0.4
174.03046	0.4
175.03905	0.4
177.01822	0.3
187.00273	0.3
191.03471	0.4
196.05180	0.3
209.09605	0.3
211.03986	0.3
212.04715	0.9
214.99788	0.3
217.01396	0.5
221.11742	0.3
225.05556	0.6
225.09120	0.2
226.06100	0.5
227.07028	0.4
229.01428	0.4
233.98007	0.2
235.07588	0.6
237.05510	0.9
239.03452	0.5
240.04210	2.9
241.04869	0.4
241.08708	0.2
245.00839	0.7
247.02377	0.6
248.04765	0.3
251.07103	0.5
253.05121	0.4
253.08707	1.8
253.14270	0.5
254.05823	1.5
255.06543	3.0
256.07217	0.9
257.00784	0.3
263.07108	2.0
264.07800	0.4
265.08701	0.5
267.06598	0.5
268.07397	5.3
269.08157	4.5
270.08917	2.5
271.09607	1.2
273.00400	0.6
275.01929	0.9
281.08185	21.0
282.08768	4.2
282.64194	0.2
283.09726	8.7
284.10141	0.7
286.04788	0.5
296.10504	1.0
297.11169	2.3
299.09235	5.2
299.99091	0.6
300.09933	3.1
300.99887	4.5
301.10706	0.9
302.00226	1.0
302.07965	1.4
313.10931	0.6
314.11603	4.8
315.08688	0.4
315.12369	8.5
316.12698	0.9
328.09598	1.0
329.13913	3.5
330.14383	0.5
342.11035	0.5
343.11813	7.7
344.12277	0.8
356.12515	0.6
357.13467	1.8
358.13913	0.3
372.14810	0.3
393.73291	0.2
415.23279	1.0
417.15607	0.4
445.14996	9.1
446.15298	1.1
459.16605	0.4
460.17349	16.1
461.17807	2.6
475.19720	100.0
476.20059	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29907	0.2
59.01248	1.6
59.42365	0.2
62.50780	0.2
62.96262	0.2
66.05857	0.2
69.39587	1.2
69.40009	0.3
71.01232	0.2
78.95776	26.2
79.95598	0.3
80.96419	0.2
96.96838	0.3
98.20602	0.4
104.97363	0.2
122.00015	1.1
122.98346	0.2
125.02319	0.3
127.07504	0.2
134.98497	0.2
140.01080	7.6
152.99507	2.2
166.02678	0.3
169.01309	0.6
182.02153	0.2
196.03748	12.4
197.04073	0.4
214.04810	3.2
217.29973	0.2
233.22745	0.2
259.20737	0.5
275.20410	0.2
277.21713	100.0
278.22064	11.0
300.99802	0.4
395.98593	0.2
436.45334	0.2
474.26245	26.9
475.26547	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	473.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	58.1
61.98676	4.9
69.39214	11.9
69.39629	27.0
71.01260	28.9
73.81021	6.0
75.00731	9.5
79.95607	13.0
80.96329	5.1
89.02315	37.2
95.04892	10.4
96.95884	7.5
101.02325	8.9
113.02345	10.2
119.03391	7.5
121.10149	7.6
125.02275	7.2
169.01382	4.5
171.10173	14.0
179.05501	12.4
217.00290	4.6
269.06885	10.6
275.20230	21.6
277.21741	21.1
293.21219	20.4
300.99939	5.4
315.19135	7.0
318.26620	5.2
338.60257	5.2
341.85559	5.0
343.95654	4.7
358.74969	5.2
375.21030	15.6
391.17926	100.0
392.18323	12.5
473.32669	5.4
474.21463	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
61.54544	0.1
71.01266	0.2
78.95775	10.2
82.89352	0.1
96.96851	0.3
98.19825	0.3
103.13078	0.1
122.00035	0.2
127.07574	0.2
140.01077	3.1
148.54672	0.1
152.99463	1.2
163.22415	0.1
169.01328	0.1
171.00578	0.5
196.03705	1.4
214.04811	3.2
233.22751	0.4
259.20660	0.5
266.98004	0.1
275.20126	0.4
277.21713	100.0
278.22055	10.8
300.99655	0.3
474.26230	9.9
474.70837	0.2
475.26505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59642	0.7
55.97245	0.7
59.01251	100.0
71.14153	1.3
73.33486	0.8
79.95619	0.9
83.78902	0.8
92.18805	0.7
96.95879	1.4
119.64983	0.8
136.73288	0.7
157.12282	1.5
174.99190	1.8
217.00241	9.5
217.02090	1.1
315.11215	3.5
473.33365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91494	5.5
59.01250	65.2
63.96098	5.4
71.01266	36.1
71.01589	7.4
71.56783	7.6
75.00758	13.7
79.95619	28.0
89.02320	31.0
93.03302	6.7
95.04893	28.6
96.95888	11.8
97.31137	5.6
101.02328	10.0
113.02344	8.6
122.10190	5.4
125.02380	7.2
141.01564	6.5
166.99683	6.0
179.05487	6.4
217.00220	16.2
226.01570	7.6
265.03940	15.9
270.00589	7.8
277.21713	17.8
278.11328	11.9
293.21191	68.2
294.21555	7.2
354.09937	100.0
355.10434	6.5
391.17950	29.5
391.29404	5.5
457.46945	6.9
458.48627	6.0
474.21136	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	473.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	9.4
59.01252	100.0
59.34482	5.7
61.50290	5.7
61.98691	22.1
63.96119	7.6
71.01250	43.1
73.02805	12.9
75.00743	11.1
79.95625	40.8
80.96402	34.6
83.01270	11.4
85.02833	20.5
89.02317	14.0
95.01305	5.8
96.95880	44.9
99.00807	8.0
101.02299	18.9
112.63059	6.8
112.93621	16.0
113.02319	16.0
118.26406	6.8
123.00821	11.1
125.02314	20.2
125.93101	6.5
131.03400	7.7
135.66415	6.1
161.04471	9.2
169.01364	27.8
174.99115	7.8
182.46747	6.5
217.00230	25.5
251.16380	14.9
255.28026	6.8
259.34473	7.6
300.99854	13.6
305.19809	10.5
341.26910	9.7
437.23941	61.1
473.16254	11.5
473.21664	25.7
473.31400	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	473.036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	1.2
59.01253	8.9
61.24072	0.6
65.00230	2.6
71.01276	2.8
71.06087	1.5
73.02832	0.8
75.00758	1.2
85.02868	1.3
89.02343	1.1
95.01258	4.2
101.02348	1.4
102.01851	2.0
103.03901	1.0
105.03382	1.3
107.01256	1.0
108.02065	1.0
111.00854	0.9
115.01817	1.7
117.03378	1.1
123.00750	4.1
125.02341	3.7
131.01328	1.4
132.02065	6.1
133.02852	2.1
139.00351	0.8
143.01305	5.7
143.04956	0.8
145.02901	2.3
147.00771	2.2
147.04454	1.2
148.01572	7.8
149.02336	5.4
151.00284	2.6
157.94318	0.8
159.00769	5.1
159.02925	0.7
159.04337	0.8
160.01573	9.3
161.02327	7.6
162.03209	0.7
163.00333	2.2
163.03969	2.1
165.01822	0.7
169.01302	3.5
170.99599	0.7
171.00764	3.9
172.01593	1.9
173.02351	4.4
174.03067	0.9
175.00284	1.8
175.03918	1.7
176.01050	7.2
177.01868	15.7
179.05504	0.9
187.00325	6.6
188.01111	6.2
189.01877	6.4
190.99771	1.7
191.03433	2.0
195.02878	1.0
199.00334	2.3
200.01013	1.3
201.01933	1.0
202.99762	4.5
203.03473	2.7
204.00566	17.1
205.01346	28.0
206.01753	1.4
206.99324	3.3
214.99791	14.1
216.00591	18.8
217.01363	7.8
217.98418	1.0
218.01923	1.3
218.99335	1.0
219.02995	2.4
226.99847	2.1
229.01407	3.4
230.99361	5.1
231.03021	2.6
232.00082	15.5
233.00793	5.1
235.02573	0.9
240.17003	0.7
242.99345	10.4
244.00029	6.9
244.96790	1.0
245.00826	4.7
246.01578	0.8
247.02480	4.0
248.03046	0.7
249.00461	2.4
258.98846	5.8
259.99625	7.6
261.00330	1.7
263.01932	3.7
270.98807	11.5
271.99023	0.7
275.02026	6.2
275.99481	0.8
276.02518	3.4
277.03540	0.7
286.98422	1.4
291.01477	3.2
292.01611	0.9
300.99942	1.8
303.01447	71.4
304.01791	6.4
310.61890	0.7
314.97885	0.7
319.01010	8.3
320.01593	3.7
347.00427	100.0
348.00772	9.7
357.02530	1.8
358.03345	4.1
397.02258	0.9
411.58881	0.8
413.01306	1.3
413.21841	0.8
429.04535	1.2
445.04019	0.9
473.03574	25.6
473.17694	1.3
473.24100	1.5
474.04007	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	3.9
59.01252	80.9
61.98713	3.8
70.44164	11.5
71.01255	89.1
71.01656	4.9
72.99168	3.4
77.44021	2.7
78.95778	3.2
85.02820	6.2
87.00754	6.4
89.01749	5.1
89.02315	95.6
96.95931	4.3
101.02319	19.4
113.02316	19.1
119.03349	14.8
131.07124	2.8
136.93929	8.0
143.03468	4.2
146.66460	2.8
149.04378	3.4
161.04468	7.1
165.12791	17.2
176.37419	3.2
178.94948	9.8
179.05539	23.5
200.01074	3.7
247.20633	9.5
273.18674	5.5
283.99631	6.1
291.19666	100.0
292.19858	8.4
299.99084	80.9
315.96887	8.2
373.19998	4.1
471.34955	5.4
472.10623	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53883	0.2
69.70781	1.6
71.01253	6.7
91.05145	0.2
91.05849	0.2
93.03330	0.3
96.95875	0.2
115.00257	5.9
117.91392	0.2
121.02847	0.7
123.00790	0.2
125.02312	0.3
133.02838	0.7
134.03632	33.9
135.03967	1.8
137.02341	5.5
139.03940	2.0
149.02336	0.3
149.05986	13.7
150.03108	0.8
150.06367	0.5
169.01331	0.4
178.02626	25.3
179.02948	1.4
193.04990	100.0
194.05330	6.3
235.05948	0.4
355.10324	15.5
356.10629	1.3
364.99606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69563	0.6
54.84402	0.7
69.38367	1.4
69.38770	5.6
71.01254	16.9
72.99184	0.9
92.56270	0.6
100.54756	0.6
104.25554	0.6
112.50420	0.6
115.00248	4.8
125.02354	0.8
134.03632	43.1
135.03975	1.1
137.02371	3.9
137.03282	0.8
139.03946	1.4
149.05981	16.4
178.02640	16.5
178.04202	0.9
179.03003	0.7
180.64767	0.7
193.04993	100.0
194.05377	5.5
355.10336	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.0
57.03308	3.1
58.00449	1.9
59.01248	49.8
61.98715	2.2
63.02257	1.9
65.00189	1.7
69.03320	1.4
71.01252	35.9
72.99159	2.1
73.02816	13.5
81.03333	0.9
83.01254	9.6
85.02823	18.7
87.00744	1.8
87.46230	0.9
89.02312	18.0
95.01250	1.0
96.95879	1.9
97.02828	1.3
99.00758	5.2
101.02316	37.1
107.01263	7.5
111.00745	4.6
113.02328	12.2
119.03307	1.1
121.02846	4.9
125.02328	6.7
129.01825	1.6
131.03389	15.4
143.03406	1.9
149.04437	4.3
151.00261	25.0
152.00555	1.6
159.02972	1.2
161.04459	8.7
164.00763	0.8
169.01324	7.3
170.01709	1.4
178.99776	11.1
214.99878	1.1
225.11394	1.0
229.04965	1.3
233.06573	1.9
250.88898	1.0
258.01767	1.0
261.11072	1.6
273.00540	1.0
273.03964	1.4
277.16541	37.7
278.16849	2.4
293.08551	1.4
301.00302	1.8
301.03497	47.6
302.03790	4.9
409.20752	100.0
410.21106	11.8
430.33908	0.9
433.02106	1.7
433.07675	24.9
434.08130	5.4
469.17746	1.0
487.52383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.8
57.03319	3.6
58.00471	1.4
59.01250	48.9
61.60375	1.0
61.98691	1.1
70.93747	1.1
71.01255	37.1
72.16386	1.1
72.99178	2.4
73.02811	12.3
78.95763	1.8
83.01258	7.5
85.02816	14.8
87.00733	3.0
89.02316	17.0
95.01270	2.2
96.95884	3.6
96.96846	3.1
98.02365	4.8
99.00745	6.4
99.01859	2.6
101.02321	35.5
109.87339	1.0
111.00782	3.4
113.02311	12.3
119.03383	1.7
123.00803	1.3
125.02357	6.9
131.03391	9.4
143.03358	2.0
149.04456	4.3
159.02908	2.1
161.04453	6.6
169.01323	5.1
186.20250	1.1
195.39879	1.3
223.62297	1.1
229.57896	1.4
277.16541	29.7
277.19559	1.4
277.79803	1.3
278.16876	2.3
286.60260	1.2
299.99176	1.6
300.99741	1.5
358.14429	1.2
409.20761	100.0
410.21198	9.7
469.13080	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.9
57.03307	3.1
59.01252	42.3
61.98702	6.1
65.03850	2.1
69.52193	16.9
71.01255	45.9
71.92075	2.4
73.02824	21.0
80.96371	5.5
83.01271	10.0
85.02820	19.7
87.00778	3.6
88.91032	2.4
89.02305	16.9
93.59416	2.4
93.62827	2.3
95.01270	3.6
96.95906	2.8
97.02824	4.3
98.20554	5.4
99.00761	11.7
101.02319	53.2
107.01254	2.9
111.00777	3.5
113.02319	19.4
118.41461	2.1
119.03401	2.8
123.00771	3.2
124.01590	3.1
125.02330	16.3
129.01826	2.4
131.03459	2.6
132.03708	2.0
133.02960	2.5
143.03378	3.7
159.02922	3.6
161.02370	3.1
161.04503	13.4
162.03116	26.7
163.03708	3.5
169.01340	17.5
177.05495	26.7
195.39156	2.2
227.03825	2.4
245.00952	2.2
277.16519	62.5
278.16891	5.5
285.04025	2.4
300.99826	3.5
310.97418	2.3
409.20764	100.0
410.21085	10.2
469.24518	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	469.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11626	1.4
57.03315	3.6
59.01249	81.9
61.98705	4.8
66.61306	1.3
71.01257	18.2
72.99171	2.5
73.02814	2.6
83.01266	6.3
83.04900	1.9
85.02817	9.6
88.03958	1.8
89.02308	12.1
92.95186	1.4
95.01257	3.2
96.95893	2.1
99.00737	1.9
101.02308	13.1
113.02341	12.7
119.03400	4.4
121.06503	5.1
123.00784	2.3
123.04462	2.2
125.02369	8.0
130.26935	1.4
131.03429	2.7
132.74173	1.5
136.85701	1.5
137.09613	65.0
138.09938	2.8
147.08086	11.2
151.00259	3.5
161.04498	4.9
161.13324	1.9
169.01324	5.9
171.08014	5.1
178.99744	2.0
179.05615	2.3
181.27420	1.5
185.13202	1.6
187.11206	32.4
188.11635	2.1
201.12936	1.6
203.14354	48.4
204.14676	4.1
227.14189	2.1
229.12270	18.6
245.15446	5.9
247.13367	100.0
248.13681	8.0
260.43854	1.4
271.13373	32.6
271.19098	3.1
272.13821	2.1
289.14529	9.2
291.18073	5.5
300.99969	1.8
301.03543	2.0
301.14291	1.9
305.44757	1.6
313.14630	2.2
317.03195	2.8
339.40594	1.5
423.22284	15.4
470.23904	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	469.062
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45124	1.6
67.56042	1.8
72.52731	1.8
72.99186	2.2
73.80685	1.8
93.10822	1.7
98.68636	2.2
109.93811	1.7
119.04926	5.1
122.88002	2.0
123.00777	2.0
125.02339	4.9
135.04430	4.0
145.02853	4.2
147.04419	7.4
149.09712	2.2
161.02325	2.4
163.03883	6.8
165.03981	7.7
165.05312	2.1
169.01334	5.1
173.02405	4.2
175.03886	11.6
177.01802	2.6
189.01846	5.0
191.03465	8.7
192.00522	12.8
193.01274	4.1
193.04950	2.3
201.01822	3.4
205.01372	5.0
206.02168	8.2
207.02907	15.6
217.01341	4.1
218.99503	3.0
219.02927	76.2
220.03206	4.0
235.02423	60.4
236.02660	2.6
245.00800	8.1
261.00345	4.2
263.01938	23.0
281.03003	19.1
300.99649	2.5
307.00946	100.0
308.01266	8.0
317.05151	3.1
325.01990	9.3
451.05225	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	469.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33826	1.2
70.54679	1.1
70.90666	2.3
89.29726	1.1
95.01274	2.3
97.02851	1.1
107.01295	2.2
109.02866	1.3
111.00803	2.4
123.00760	4.7
124.58314	1.1
125.02343	8.6
126.85243	1.2
132.02066	2.0
139.00276	2.9
151.00346	1.3
166.99777	5.3
168.00343	1.1
169.01329	13.9
170.01685	2.1
172.01569	7.5
177.01930	1.2
185.00810	2.5
185.02370	1.5
188.01100	1.8
189.01840	1.8
190.02596	1.2
195.06570	2.0
199.00195	1.3
200.01021	2.7
201.01959	1.8
202.99786	1.4
216.00583	6.8
217.01360	3.2
226.99742	2.1
228.00523	5.5
229.01399	2.6
233.00893	2.5
242.99240	3.1
244.00092	9.3
245.00801	3.3
257.00879	2.6
259.99261	1.1
261.00342	1.9
270.98856	14.0
271.99579	8.1
273.00336	1.5
275.01923	1.3
282.98865	6.8
283.99496	3.2
285.00348	2.8
288.99921	1.6
298.98294	28.1
299.99094	100.0
300.99854	90.8
302.00168	7.2
316.99371	4.0
425.01465	20.9
426.01828	2.9
469.00305	1.9
484.04764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2285
Annotation	Cardivin B
Peak:m/z	Relative Intensity
50.35077	1.5
50.68607	1.4
51.55808	1.3
52.91000	1.4
55.01744	4.8
57.03311	3.3
58.00446	2.7
59.01250	47.8
59.50067	1.3
59.50998	1.5
61.98693	2.5
65.00175	1.8
67.01751	1.8
69.03316	1.9
71.01251	45.8
71.56394	1.6
72.99160	4.4
73.02824	13.3
79.95607	2.0
83.01241	9.2
85.02827	18.5
87.00746	2.3
89.02327	17.4
91.11808	1.4
92.54859	1.3
93.03349	3.8
95.01254	7.3
97.02806	1.7
99.00737	5.0
101.01683	2.4
101.02319	32.1
107.01260	8.4
111.00737	4.2
113.02338	16.5
115.94324	1.6
119.03374	6.6
121.02820	1.9
123.00780	13.5
123.04379	2.3
124.01551	2.9
125.02345	27.3
126.02641	3.2
134.07225	3.9
137.02361	1.7
139.00249	3.0
139.03778	1.7
141.01862	2.3
143.03406	1.7
145.02789	2.1
151.00290	2.5
161.02342	1.8
161.04460	2.5
163.03923	2.1
166.99773	6.2
167.03418	4.3
168.00404	2.7
168.99928	2.8
169.01344	38.0
170.01653	2.9
189.01720	1.5
193.01260	1.6
205.95523	1.7
214.99736	1.7
217.01312	2.7
229.01431	1.7
232.03035	1.7
245.00890	2.0
247.02290	2.2
261.18588	21.9
262.18954	1.5
270.98779	2.2
273.00336	3.5
275.01901	2.8
299.99026	2.1
300.99817	16.4
302.00287	6.8
302.26260	1.4
308.03372	2.1
384.04178	3.1
393.04422	1.9
421.20490	2.6
423.23859	30.5
424.24225	3.4
449.22021	2.0
467.04855	3.0
467.22763	100.0
468.23013	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	467.2285
Annotation	Cardivin B
Peak:m/z	Relative Intensity
55.01763	1.7
57.03333	1.9
58.00455	1.2
59.01251	30.7
61.98701	5.3
63.24834	0.4
65.53169	0.3
69.03323	0.3
69.38594	1.4
69.39031	1.5
71.01254	22.9
72.01559	0.4
72.99177	2.5
73.02441	0.4
73.02821	4.8
75.00739	0.7
79.95622	0.3
83.01251	3.6
85.02823	9.6
87.00733	1.3
89.02317	13.2
93.03311	0.6
95.01254	2.9
96.95898	0.8
97.02837	0.7
99.00782	2.1
101.02319	18.0
107.01290	0.4
111.00760	0.9
113.02331	9.2
119.03378	5.4
119.04762	0.4
122.01417	0.4
123.00764	2.0
123.08021	1.1
125.02329	3.4
126.02633	0.6
131.03333	0.5
137.02286	0.3
139.00330	0.4
143.03433	0.6
149.09561	0.5
153.17612	0.4
161.02321	0.5
161.04448	1.3
166.99695	0.8
169.01329	3.3
170.01692	0.6
179.05571	0.7
187.00288	0.4
187.11063	0.5
189.01799	0.4
202.15765	0.4
229.01352	0.6
261.18637	1.1
270.98746	0.5
300.99854	3.1
302.00266	1.2
338.88931	0.4
439.03604	0.4
449.15472	0.4
449.21463	1.7
467.22812	100.0
468.23114	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	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07178	1.5
57.03319	1.6
59.01244	6.0
63.63126	1.3
69.38463	13.2
71.01258	5.6
71.04887	2.1
72.99178	10.9
74.97507	1.3
75.00747	4.4
78.95793	1.6
79.95601	1.7
80.96381	2.1
83.01242	2.4
85.02809	2.1
87.00736	2.1
95.01272	3.1
96.95871	1.8
99.00751	4.8
107.01256	2.4
111.00750	3.5
112.98661	9.3
113.99473	2.0
115.00243	3.9
117.01814	1.9
121.02838	2.0
123.00748	5.1
125.02335	9.1
135.02896	10.3
142.99750	14.8
156.00565	5.0
166.99783	4.8
169.01390	11.9
173.00896	8.5
174.01613	100.0
175.02373	8.0
192.20894	1.5
201.01830	2.5
217.01164	1.6
228.13640	1.6
237.11259	2.5
239.12979	1.9
275.02014	2.2
279.12689	1.9
292.61847	1.6
293.21271	15.2
294.21570	2.0
299.99350	2.2
300.99783	11.7
302.00220	6.3
305.21143	11.5
319.22684	3.0
333.20599	1.8
345.20685	3.3
349.20230	9.4
407.20770	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52106	4.7
59.01250	27.1
61.98703	9.2
64.66959	4.4
71.01255	6.7
71.56684	6.6
71.57119	7.8
72.99183	14.7
75.00749	35.3
79.95632	6.1
80.96377	5.7
87.00755	5.5
89.02287	5.8
95.01285	8.3
96.95900	10.1
98.19934	5.1
99.00756	10.5
107.01298	10.0
112.49462	4.9
112.98693	12.3
123.00774	16.2
124.95956	5.3
125.02345	25.7
135.02901	52.6
139.00316	5.8
142.99759	16.9
145.02956	5.5
160.84073	11.5
165.12782	13.3
166.99776	10.6
169.01353	35.2
170.01694	6.8
174.01622	100.0
201.01897	5.0
206.85963	4.7
247.26935	4.9
277.21603	26.1
293.21231	20.8
300.99872	36.6
302.00266	13.0
305.21185	38.9
316.19095	5.5
327.19739	6.4
331.19119	52.4
333.20758	9.4
345.20874	33.7
349.20142	19.8
369.20737	7.8
371.18555	46.7
387.21634	5.7
389.19699	8.2
395.18661	6.8
401.19656	13.4
413.19653	15.8
431.20679	17.6
449.21793	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	467.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70938	0.9
51.75425	0.9
59.01250	10.9
67.62207	1.0
71.57005	1.3
79.85266	0.9
79.95588	2.1
95.01262	1.3
96.95903	4.6
107.01283	1.4
123.00748	3.2
125.02330	5.8
126.02712	1.3
137.09604	2.2
138.03810	1.2
145.02705	1.3
152.91612	1.0
156.90138	1.6
158.84587	1.8
162.83733	1.1
166.99867	1.1
169.01334	5.6
170.01620	1.0
171.10170	2.1
173.01208	2.1
185.01202	2.1
193.08086	1.0
197.01196	1.0
211.02885	1.4
217.66933	1.1
233.73058	1.1
237.04338	4.8
239.05969	8.5
241.07524	26.8
242.07884	2.0
253.03899	1.1
253.07608	1.5
255.09050	1.9
261.03897	6.1
265.07510	1.9
267.09320	1.1
269.06900	2.9
283.08618	100.0
284.08957	7.7
285.06485	3.0
295.08539	1.2
300.99805	5.8
302.00204	2.8
309.06976	0.8
309.10199	18.3
343.01520	6.0
407.17511	7.5
485.22195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.1
59.12681	3.3
69.52016	13.8
69.52440	9.9
71.01248	20.7
71.94589	3.6
72.99178	7.2
85.02832	4.7
89.02328	5.6
95.01270	4.5
98.19798	6.6
107.01258	3.9
113.02351	4.6
115.00253	47.3
117.03333	4.0
123.00762	9.3
125.02330	20.4
125.13643	3.0
133.01317	100.0
133.02840	6.9
145.02834	12.7
147.04417	3.9
151.00261	4.5
161.02312	6.0
163.03883	12.9
165.20750	3.2
169.01324	34.7
173.02309	6.5
175.03978	3.0
189.01869	12.8
190.02583	10.6
191.03400	24.7
191.05305	4.0
192.99542	4.4
201.01740	4.7
203.03383	3.6
205.01277	3.7
211.02296	4.2
217.01306	20.3
219.02885	4.1
229.01442	4.1
234.01720	4.4
235.02405	6.0
245.00868	25.3
247.02374	8.2
249.03978	7.5
261.00220	7.3
262.01102	7.1
263.01981	16.4
271.04825	3.8
275.01987	6.4
276.02502	3.7
277.02368	5.7
288.99835	14.5
300.99924	7.5
302.00165	5.2
303.00458	8.6
331.06744	17.9
407.77676	3.6
421.07831	24.0
433.04538	3.3
447.02103	5.6
465.06320	9.7
465.12299	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	465.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69800	1.2
57.03324	1.4
59.01247	2.2
63.02262	4.1
65.00184	5.5
67.01729	1.9
69.03305	2.0
71.01244	3.9
79.01775	2.3
81.03313	1.9
83.01258	5.2
89.03821	1.7
91.60006	1.6
93.03381	2.1
95.01254	14.9
98.19764	2.9
99.00759	2.3
101.02383	1.5
106.06963	1.3
107.01271	17.8
109.02811	3.2
109.99972	3.8
111.00751	5.6
121.02872	1.6
123.00756	24.7
124.01595	7.1
125.02339	99.9
126.02670	3.0
126.12663	1.4
133.02811	2.4
135.00769	2.2
137.02361	8.5
137.99503	2.2
138.02731	1.3
139.00272	16.9
140.01041	2.1
140.50172	1.6
141.01837	2.8
145.02861	2.7
146.47156	1.5
150.71664	1.5
151.00269	34.2
152.01088	12.1
153.00760	1.9
153.01839	13.4
159.04411	1.3
161.02336	3.2
161.99486	1.7
163.00284	37.9
163.03859	2.7
164.00874	2.7
165.01831	10.9
165.99004	4.0
166.99763	23.4
168.00397	1.6
168.99954	2.8
169.01341	42.8
170.01627	2.2
173.02344	3.1
175.00270	1.5
175.03889	2.7
176.01320	1.7
177.01807	6.1
178.99779	49.1
180.00551	7.7
185.02402	2.0
186.03076	1.9
187.00296	5.4
189.01863	5.0
189.05481	1.7
190.99771	5.9
191.03450	2.0
192.00525	3.0
193.01320	8.3
194.99316	11.5
199.03802	2.3
201.01848	5.2
203.03398	5.6
204.00578	2.1
205.01315	5.0
205.98541	2.3
206.99289	62.1
207.99986	8.3
209.00784	1.8
210.12126	3.1
211.13359	1.7
214.99815	3.4
215.03438	3.5
217.01295	4.9
217.04869	2.1
219.02864	3.7
227.03465	3.7
229.01331	6.6
230.02138	2.7
231.02879	3.4
232.03743	1.5
233.04431	2.0
242.02090	4.0
242.99254	3.2
243.03011	6.6
245.00993	6.7
246.01610	1.9
247.02376	5.3
257.00854	2.5
257.06586	2.4
258.01624	4.9
259.02414	5.6
260.03259	1.6
261.03973	3.8
263.51801	1.6
269.00964	1.8
270.01727	3.7
270.98798	4.0
271.02441	12.2
273.00314	4.3
274.01114	2.3
275.01877	3.2
286.01166	4.7
287.01941	15.6
288.02527	2.9
289.03473	6.1
298.98331	5.0
299.99072	2.6
300.99924	23.7
301.05640	9.3
302.00293	2.2
302.03564	1.9
303.01279	1.6
314.00531	3.6
315.01465	13.7
316.01996	1.8
323.03949	3.5
332.01727	15.9
333.02475	64.3
334.02826	8.3
339.03534	6.8
419.06186	4.2
421.07776	2.0
437.07431	1.6
447.05472	11.3
465.06650	100.0
465.26764	4.0
466.07019	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	465.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.5
59.01257	9.2
62.42515	1.1
63.02269	14.6
65.00197	15.0
68.99689	1.5
69.36426	10.7
71.01254	5.8
79.94631	1.3
79.95586	2.2
81.03320	2.0
83.01249	21.2
85.02811	3.4
89.02327	2.3
93.03342	1.2
95.01279	5.9
96.99156	1.3
97.02853	2.1
97.62150	1.2
99.00742	5.5
101.02340	1.7
107.01266	30.0
108.02084	2.1
109.02839	31.4
111.00755	6.9
113.02289	1.6
114.54884	1.2
119.04845	1.5
121.02829	1.9
123.00766	15.7
124.01530	4.8
125.02326	20.6
133.02824	10.7
135.00778	5.6
136.98647	2.0
137.02287	3.0
138.68192	1.1
139.00259	9.7
139.03917	2.3
141.01836	19.2
145.02885	1.7
148.01553	1.6
149.02353	9.6
149.99504	1.9
151.00272	78.0
152.00816	3.8
153.01826	30.4
154.02185	1.4
154.99771	2.8
161.02370	1.9
163.00285	6.7
163.03897	1.6
164.00998	1.3
166.99765	12.4
168.00500	3.1
168.99944	2.5
169.01338	42.0
170.01640	2.3
174.03113	1.4
175.03893	3.7
176.98235	1.3
177.01836	4.2
178.99782	100.0
180.00154	3.6
187.03963	2.5
189.01807	4.0
190.02628	1.3
190.99695	2.2
193.01355	3.4
194.99243	10.1
197.00854	15.8
199.03862	1.9
201.01802	2.2
203.03387	1.3
204.97670	3.4
205.01195	1.8
206.99313	12.1
207.99942	1.7
209.00822	3.3
215.03387	5.2
217.01384	2.0
217.04932	3.5
222.98799	2.9
227.03496	2.9
229.01418	1.8
231.02864	2.5
233.00528	1.2
233.04491	5.6
243.02858	5.3
245.04523	4.1
247.02562	1.9
258.01791	1.8
259.02399	6.8
260.03220	2.1
261.03961	3.3
269.00714	1.3
270.98996	1.4
271.02496	6.2
272.03201	1.4
273.03647	1.2
275.01984	2.3
286.01321	1.7
287.01846	5.4
289.03622	3.8
298.98416	1.8
301.00079	6.4
301.02899	1.6
303.21692	4.3
305.02957	3.6
315.01392	7.1
332.01822	1.4
333.02472	10.3
379.06635	2.8
385.25577	1.4
407.23486	1.3
421.07693	1.9
432.98355	2.6
437.07175	1.7
447.05692	4.7
465.00977	1.2
465.06683	27.0
465.17102	1.8
465.27036	14.7
466.07266	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02489	0.3
59.01192	5.0
63.02226	0.6
65.00162	0.5
68.95834	0.3
71.01257	3.5
71.05370	0.3
71.05706	0.5
72.99174	0.4
73.02768	0.6
80.02493	0.7
81.03266	0.9
83.01208	1.0
83.04896	3.9
84.01980	1.0
85.02796	0.8
89.01832	0.3
89.02300	2.9
95.01221	0.5
95.04835	0.4
95.90273	0.3
101.02327	3.6
107.01205	1.2
109.02798	0.3
113.02341	1.6
119.03358	0.7
123.00762	0.5
124.01519	0.5
125.02280	0.9
125.05944	0.4
125.09610	0.4
135.08028	0.8
137.02249	0.5
147.00677	0.3
149.02426	0.3
149.04492	0.3
151.00272	4.5
152.01054	0.4
161.02301	0.4
161.04448	1.3
163.00262	1.0
163.11174	3.3
164.00987	0.4
165.12740	2.1
169.01318	1.1
173.02376	0.3
175.03912	0.4
178.99762	4.3
179.05597	0.3
181.12230	0.5
186.16463	0.3
191.10660	0.6
199.13277	1.4
209.11771	100.0
210.12143	6.6
214.02666	1.1
215.03471	0.7
217.01355	0.4
218.02130	0.3
227.03477	0.5
227.12839	18.1
228.13206	1.3
231.03163	0.4
242.02090	0.8
243.02997	1.3
245.00853	0.4
247.02377	0.5
253.09267	12.8
254.09706	0.8
255.03036	1.3
259.02539	1.8
264.10468	0.4
270.01840	0.9
271.02490	10.1
272.02887	0.5
273.04120	0.5
285.00607	0.4
287.01953	3.8
288.02466	0.6
299.01898	0.8
299.99399	0.6
300.02679	4.6
301.00092	0.3
301.03491	7.1
302.03851	0.5
303.01511	0.4
313.00336	0.4
315.01376	0.5
316.02234	16.7
317.02890	4.6
331.00964	0.8
331.04523	0.5
445.07739	3.1
463.09204	12.6
463.21869	0.6
464.09863	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92237	0.2
53.99733	0.2
55.01742	0.2
57.03323	0.4
58.00451	0.2
59.01249	4.1
61.83385	0.2
65.00174	0.2
66.76385	0.2
69.73494	0.7
69.73889	0.5
71.01252	3.8
71.04861	0.4
72.99170	0.3
73.02807	0.6
75.00715	0.2
80.02530	1.1
81.03315	1.2
83.01270	0.5
83.04897	4.3
84.02021	1.0
85.02817	0.9
87.00732	0.5
89.02312	3.1
93.03283	0.4
95.01283	0.4
95.04882	0.5
96.95876	0.2
97.06525	0.3
99.00772	0.3
101.02322	3.0
107.01286	0.3
108.02041	0.2
111.00754	0.3
113.02374	1.4
119.03380	0.9
123.00755	0.5
124.01516	0.2
125.02356	0.5
125.05930	0.3
133.71495	0.2
135.08052	0.7
139.00163	0.2
143.03409	0.4
149.02313	0.3
151.00273	0.9
161.04475	1.2
163.00203	0.3
163.11189	3.1
164.11469	0.3
165.12784	2.5
169.01317	0.4
178.99780	0.5
179.05518	0.4
181.12325	0.5
182.97581	0.2
191.10699	1.1
192.00484	0.3
193.31676	0.3
199.04028	0.2
199.13341	0.9
209.11769	100.0
210.12119	6.6
211.03784	0.2
215.03458	0.2
227.03589	0.5
227.12842	19.0
228.13211	1.1
229.00978	0.2
235.08188	0.3
243.02876	0.7
253.09254	14.4
254.09660	0.8
255.02936	1.5
259.02396	0.5
271.02429	3.5
272.03030	0.7
273.03738	0.2
283.02353	0.3
283.99683	0.4
287.01956	0.7
300.02728	3.1
300.99854	0.6
301.03497	2.0
302.03818	0.2
316.02203	1.9
317.02902	0.5
331.04562	0.3
349.16071	0.3
399.03738	1.7
400.04062	0.4
431.06201	0.9
463.08859	6.5
463.20984	0.4
464.09183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51669	0.3
52.47441	0.4
52.47698	0.3
54.62461	0.4
55.01736	0.3
58.00439	0.4
59.01247	7.4
65.00187	0.5
68.99678	0.4
69.34852	1.5
69.35279	1.6
71.01253	3.8
72.99163	0.6
73.02834	0.8
74.59002	0.3
75.00742	0.6
80.02546	0.8
81.03320	1.1
83.01252	1.2
83.04897	4.1
84.02045	0.8
85.02821	0.8
87.00748	0.6
89.02300	3.3
93.03299	0.4
95.01261	0.8
95.04902	0.4
98.20548	0.7
101.02319	3.9
107.01258	1.2
109.02800	0.5
110.02357	0.3
111.00750	0.9
113.02337	2.3
114.12325	0.4
116.13242	0.3
119.03398	0.8
123.00748	1.3
124.01569	1.1
125.02325	2.4
125.06001	0.4
133.02841	1.7
135.04399	0.8
135.08034	0.6
136.98706	0.7
137.02338	0.6
139.00266	1.3
139.03908	0.7
140.01031	1.1
151.00282	2.5
161.02367	4.8
161.04411	1.6
163.00330	0.5
163.03949	0.6
163.11206	3.7
164.07199	0.4
165.12735	2.8
168.00571	1.9
169.01364	4.5
177.01950	0.4
178.99760	1.6
179.05531	0.5
181.12257	0.8
187.00304	0.5
190.10669	0.3
191.03461	0.4
191.10715	1.1
199.13278	2.0
209.11765	100.0
210.12099	6.2
214.02621	1.4
215.03386	0.4
217.01357	0.4
227.03448	0.5
227.12833	20.9
228.13150	1.2
229.01407	0.4
235.08182	0.7
242.02119	0.7
243.02975	1.3
247.02495	0.6
249.04102	0.4
253.09247	14.3
254.09599	0.8
255.02934	3.0
257.08154	0.9
259.02396	1.0
263.12927	0.5
270.01694	1.1
271.02448	10.4
272.02945	0.9
282.05392	0.5
287.01987	3.2
288.02609	0.4
299.99152	1.0
300.02686	8.8
300.06046	0.6
300.99863	1.6
301.03452	4.2
301.06943	0.6
302.03784	0.4
313.05475	0.4
316.02222	12.2
317.02811	3.9
318.03455	0.4
463.07935	10.2
463.22263	1.2
464.09210	1.4
472.74680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.8
61.57833	0.9
65.00195	2.9
66.85905	0.8
69.31454	2.5
69.31873	5.8
71.01259	2.3
79.01768	0.9
81.03347	2.1
83.01262	2.0
84.89397	0.8
89.02325	1.3
91.01770	1.6
93.03316	4.0
95.01269	1.2
96.95898	1.2
97.02829	2.0
105.03371	1.9
107.01290	2.5
107.04928	0.8
108.02068	0.9
109.02819	7.5
111.00772	2.0
117.03365	0.8
119.04903	1.5
121.02821	5.7
123.00774	3.8
125.02325	7.5
133.02846	20.5
135.00816	1.4
135.04408	5.6
136.98712	2.0
137.02362	6.4
137.22719	0.9
139.00227	1.2
139.03899	1.0
145.02873	2.0
149.02327	10.8
150.02917	1.7
151.00240	4.3
151.03882	4.9
153.01837	3.4
161.02364	4.8
163.00281	5.1
163.03926	3.6
164.01057	1.4
165.01849	9.8
165.99016	1.0
166.99783	1.0
167.03439	2.3
169.01405	4.2
173.02339	1.0
175.00270	1.0
175.03917	2.3
177.01878	5.3
178.99854	2.3
179.03378	5.2
187.03911	2.3
189.01892	4.4
190.02560	1.1
190.99825	1.8
191.03450	4.1
193.01393	8.7
195.02853	1.2
197.06001	1.4
199.03951	2.1
201.01900	1.9
202.99940	1.1
203.03500	1.9
203.29240	0.8
205.01355	3.0
206.02043	1.1
207.02916	7.4
209.11823	5.6
211.04019	1.7
212.04646	1.7
213.01938	1.1
213.05486	1.7
214.02695	1.0
215.03462	3.6
217.01349	1.9
219.02925	1.8
221.00911	4.7
223.02478	0.9
225.05557	2.7
227.03450	3.1
227.07063	0.9
228.04132	1.3
229.01445	1.7
229.05136	1.0
239.03467	1.4
240.04289	1.0
241.04997	2.2
243.03090	2.3
253.05070	1.5
253.09331	1.6
255.03024	1.7
256.03702	1.4
257.04550	1.4
259.02341	1.4
269.04541	4.5
270.05222	1.1
271.02527	2.2
271.06161	3.4
272.03326	1.2
273.00372	1.0
281.04559	2.4
284.03073	1.0
285.04117	2.6
286.04800	0.9
297.04028	9.6
298.04391	1.5
299.02127	1.9
299.05646	9.5
299.99225	2.4
300.02744	20.2
300.06079	1.0
300.99875	4.6
301.03537	7.4
313.03497	16.2
314.04285	4.5
315.04953	6.6
316.02289	1.2
317.03229	1.3
325.03632	3.8
326.03940	0.9
327.04971	1.6
330.03537	1.3
343.04568	100.0
344.04956	11.2
355.04593	2.5
373.05612	17.8
374.06042	2.4
385.05621	2.5
409.05725	1.3
445.07877	4.6
446.07428	0.9
463.08887	55.2
464.09323	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
59.54334	1.0
65.00195	6.3
69.03339	1.4
71.01241	3.1
71.56571	1.0
79.01770	1.6
81.03326	2.3
83.01247	2.6
87.00778	1.1
89.02310	2.0
89.03869	1.2
92.67532	1.0
93.03330	2.6
95.01260	2.7
97.02823	3.3
107.01283	4.0
107.04954	1.2
108.02052	1.3
109.02855	8.2
109.99978	1.4
111.00758	2.1
121.02840	5.5
123.00762	3.3
125.02351	8.3
131.04988	1.0
133.02855	10.2
135.00780	1.4
135.04417	3.4
136.98705	6.9
137.02307	6.7
139.00304	1.4
139.03928	1.1
147.00713	1.3
147.04549	1.5
149.02319	9.7
149.99503	1.9
150.03099	1.2
151.00270	6.4
151.03868	4.1
153.01852	4.9
159.04333	1.8
160.50375	1.0
161.02379	3.8
163.00284	5.2
163.03914	3.3
164.01093	1.5
165.01826	12.4
165.99013	1.5
166.99728	1.3
167.03418	3.3
169.01390	2.7
173.02313	1.6
174.03116	1.4
175.03941	2.0
177.01860	5.8
178.99796	1.7
179.03439	5.8
182.97461	3.7
187.03958	2.4
188.04425	1.2
189.01820	4.3
190.99770	1.5
191.03418	3.4
192.00613	1.5
193.01419	6.4
195.02942	1.7
197.05991	1.7
199.03920	2.2
201.01868	4.0
202.02480	1.2
203.03409	2.9
205.01341	3.6
206.02107	3.0
207.02972	12.1
209.11711	5.7
211.03995	1.9
213.05513	1.2
215.03450	4.0
216.04323	2.0
217.01292	2.1
223.02457	1.2
225.05583	2.2
227.03450	3.9
228.04208	2.8
229.04791	1.1
231.02917	1.3
233.00853	1.6
233.04512	1.6
235.02295	2.7
241.05009	3.6
253.05148	1.9
255.02983	3.1
256.03619	1.9
257.04489	3.8
259.02240	1.2
269.04529	4.8
270.05457	1.3
271.02414	2.8
271.06094	1.3
272.02994	1.3
273.04007	1.3
275.02206	1.1
276.02188	1.2
283.02420	2.1
283.10876	1.7
284.03326	1.4
285.04053	2.6
287.05472	1.1
297.04083	6.7
298.04718	2.3
299.01935	3.0
299.05560	7.0
300.02707	62.6
300.99893	3.3
301.03391	23.2
302.03864	1.4
312.02911	1.8
313.03510	9.1
314.04257	7.5
315.05109	7.0
325.03494	5.1
327.05124	2.8
329.06616	2.5
336.66531	1.1
343.04559	60.8
344.04938	6.6
355.04709	4.3
373.05597	32.7
374.06039	4.2
385.05637	2.6
419.10156	1.5
442.05658	1.3
445.07770	9.0
463.08817	100.0
464.09189	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	463.088
Annotation	Corniculatusin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
51.24675	0.6
51.29951	0.6
56.95531	0.6
58.06830	0.5
59.01236	1.2
61.98633	0.5
65.00182	1.4
69.98010	2.4
71.01262	0.7
89.02295	0.7
107.01229	1.2
109.02848	0.8
109.99986	3.7
111.00744	2.1
117.03368	0.6
123.00796	1.4
124.01543	1.1
124.98734	0.7
127.18584	0.7
127.46054	0.6
127.58447	0.6
136.98730	1.6
137.99457	2.0
139.00294	6.7
148.95132	0.5
149.02325	0.7
151.00259	5.4
152.01067	4.1
159.04422	0.9
161.02335	0.9
163.00238	1.8
164.01044	1.1
165.98982	7.3
166.99706	1.5
171.04437	1.1
175.00055	0.6
178.99792	10.0
180.00444	1.2
183.31592	0.6
187.03931	2.2
189.01862	1.1
195.02902	1.9
198.03224	0.8
199.03929	3.1
201.01836	1.0
202.02719	0.7
203.03395	1.2
205.04883	0.6
213.01886	1.1
214.02686	2.1
215.03410	2.7
216.00604	0.8
216.04222	0.8
217.01308	0.9
222.01743	1.0
225.01988	0.7
226.02580	1.3
227.03467	2.5
229.01367	0.6
231.02959	3.0
232.03795	0.9
241.01419	1.2
242.02133	5.4
243.02927	5.8
244.03505	2.1
255.02989	4.5
256.03601	0.8
259.02448	3.8
260.03021	0.9
269.01068	0.7
270.01645	6.8
270.80444	0.7
271.02466	26.0
272.03043	5.3
273.03479	0.6
285.04102	0.7
286.04575	0.7
287.02005	15.1
287.05380	1.7
288.02625	4.0
298.01144	3.9
299.01926	8.0
300.02664	6.8
301.03320	1.8
313.03598	2.4
314.04126	1.1
315.01468	15.0
315.05090	0.6
316.02219	69.4
317.02527	6.6
330.03647	2.3
331.04578	100.0
332.04944	9.6
403.06693	1.7
431.06116	4.5
432.06516	0.8
448.06357	6.1
463.08804	44.1
464.09091	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27909	0.6
55.65983	0.7
65.00202	1.0
69.56226	3.5
69.56650	1.4
72.06081	0.7
73.85593	0.7
98.19872	1.5
99.47192	0.6
107.01269	2.5
109.02803	1.6
121.02797	2.0
125.02385	0.8
125.98143	0.7
137.02322	0.8
148.01559	1.3
151.00281	10.0
154.38631	0.6
162.98785	0.6
163.00285	1.7
164.01048	1.2
178.99757	4.7
199.03996	0.9
214.02682	0.9
215.03380	0.7
226.02617	0.8
227.03415	3.2
236.97964	0.6
242.02196	1.0
243.02954	9.2
244.03494	0.7
245.04437	0.9
254.02206	2.2
255.02983	18.7
256.03357	1.1
259.02502	1.4
270.01593	1.2
271.02466	51.3
272.02875	5.6
273.04004	1.4
283.02228	1.1
287.01978	4.5
299.02039	1.0
300.02728	87.4
301.03458	52.0
302.03967	4.0
316.02206	19.7
316.05176	0.4
317.02939	6.0
343.04492	1.3
367.84921	0.7
463.08801	100.0
464.09082	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00206	0.9
69.64035	2.2
69.64457	1.7
70.27623	0.5
94.11478	0.5
107.01292	1.8
110.60229	0.5
124.01563	2.0
135.00708	1.0
136.01581	0.7
137.02396	0.9
143.04919	1.0
151.00281	6.6
152.01024	1.3
159.04367	1.2
163.00298	1.2
164.01057	1.5
166.60414	0.5
171.04457	1.7
175.03966	0.9
178.99719	4.0
183.04556	0.6
187.03951	2.1
199.03925	2.5
201.01846	1.0
203.03441	8.3
204.04044	1.4
214.02681	4.5
214.54483	0.6
214.83685	0.7
215.03441	6.2
216.03841	0.7
231.02972	7.0
242.02141	5.1
243.02950	10.4
244.03362	1.4
256.07437	0.5
259.02466	22.3
260.02869	1.1
270.01700	7.3
271.02460	45.5
272.02853	2.7
287.01971	44.2
287.05273	1.4
288.02356	4.4
314.97672	1.0
315.01459	37.8
316.02213	81.7
317.02707	8.2
330.03934	4.2
331.04578	75.4
332.04938	5.3
336.49713	0.6
448.06412	9.4
449.06674	1.1
463.08807	100.0
464.09155	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19299	0.7
59.01257	1.4
63.02255	1.0
64.86514	0.7
65.00193	2.9
67.01698	0.6
68.99699	1.1
69.34010	6.6
71.01254	1.1
81.03333	1.0
83.01240	1.4
95.01268	2.7
95.22591	0.7
98.20509	1.2
107.01223	4.1
108.02075	1.2
109.02832	8.4
109.99986	6.6
111.00760	4.9
115.24001	0.7
121.02866	0.8
122.99884	0.7
123.00733	4.5
124.01566	3.8
125.02308	3.4
133.02843	0.9
134.26033	0.6
135.00806	1.9
135.01910	0.8
136.98683	1.9
137.02353	1.3
137.99474	2.5
139.00272	7.5
143.04901	1.1
147.00774	1.1
148.01521	1.1
149.02315	1.8
150.02925	0.7
151.00273	13.5
152.01070	5.6
153.01888	3.8
157.02838	0.7
158.03535	0.7
159.04443	1.6
161.02341	1.5
161.06046	0.8
163.00296	4.6
164.01054	3.0
165.01823	1.2
165.98993	5.8
166.99757	3.0
171.04399	1.9
172.05003	0.9
173.02393	0.8
173.05885	0.9
174.03136	1.9
175.03864	2.0
178.99782	11.6
181.01373	1.1
183.04427	1.7
185.02379	1.0
187.03914	3.7
188.04742	0.9
189.01872	1.2
190.99785	1.0
198.03162	1.7
199.03941	5.1
201.01866	3.1
201.05592	1.0
202.02460	0.9
203.03323	3.5
206.99316	1.5
208.00015	1.6
209.11755	3.4
213.02002	1.2
214.02629	2.7
215.03368	4.3
216.04114	1.4
217.01282	1.3
217.04976	1.7
219.02905	1.1
225.01825	0.8
226.02611	2.4
227.03412	6.4
227.12802	1.0
229.01489	1.0
229.04919	0.9
231.03014	4.7
232.03601	1.1
241.01218	0.7
241.05052	0.8
242.02101	4.9
243.02963	10.4
244.03578	2.0
245.04384	2.2
255.02991	7.3
259.02332	4.1
260.03033	1.7
270.01657	3.6
271.02472	38.5
272.03058	6.6
273.04004	9.1
287.01971	11.6
288.02621	7.8
289.03006	1.8
292.71387	0.8
298.01114	1.3
299.01950	36.3
300.02335	4.9
301.03461	2.0
315.01419	0.9
316.02206	64.9
317.02979	80.5
318.03351	5.6
327.07089	0.9
445.08051	1.1
463.08801	100.0
464.09091	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77292	0.3
59.01233	1.1
65.00188	1.1
71.01238	0.8
74.34185	0.3
77.11172	0.3
107.01275	1.6
111.52311	0.3
123.00725	0.6
124.01530	0.6
125.02316	0.7
148.01563	0.7
149.02339	8.3
151.00267	5.4
161.02335	0.8
169.01306	0.5
177.01833	0.5
183.04367	0.5
191.03458	2.6
199.03906	0.4
203.03412	0.3
209.11780	1.4
214.02661	0.5
215.03395	1.9
216.04066	0.6
217.01411	0.4
227.03455	1.6
227.12808	1.3
229.01448	0.6
229.04982	0.4
233.04507	0.9
239.03471	0.9
243.02875	0.9
255.02942	2.1
256.03647	0.6
257.04559	0.5
258.01688	0.4
259.02420	0.5
271.02460	4.6
272.03223	10.1
273.03638	0.9
283.02499	0.7
283.05771	0.4
286.99008	0.4
287.01962	1.2
299.02127	0.5
300.02719	43.2
301.03488	100.0
302.00458	0.7
302.03848	8.4
313.03702	0.4
316.02203	3.6
317.02856	0.9
320.17911	0.4
328.42493	0.3
343.04514	0.3
463.08813	61.2
464.09070	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01241	4.3
63.98609	0.3
70.66622	0.3
71.01243	2.4
71.10104	0.8
73.87293	0.3
74.25774	0.3
89.02321	3.9
92.08938	0.4
101.02328	1.5
109.02876	0.3
113.02309	0.5
119.03379	1.3
123.00754	0.6
125.02315	1.2
133.02924	0.6
134.22040	0.4
142.36993	0.4
143.03358	0.5
145.02861	0.5
147.04446	0.5
148.01547	0.4
151.00310	0.6
160.01596	0.6
161.04453	0.8
163.03865	0.4
165.09128	1.5
169.01318	1.4
172.01566	1.5
173.02367	0.6
179.05559	1.3
185.02344	0.8
188.01108	1.0
189.01878	0.4
200.01071	3.0
201.01817	0.8
216.00642	3.4
217.01253	0.5
226.99828	0.5
228.00688	0.9
229.01358	2.3
242.99303	2.4
244.00009	2.9
245.00797	1.0
247.02341	0.4
257.00885	3.0
258.01273	0.6
269.10394	0.4
270.10519	0.6
270.98810	1.3
271.99582	0.8
272.05771	0.4
273.00131	0.5
282.98810	0.8
283.99710	1.0
298.98285	1.4
299.99100	100.0
300.99811	44.0
301.03467	0.9
302.00275	3.1
314.03967	0.4
332.44122	0.3
343.04489	0.7
375.25391	0.4
463.05127	70.5
464.05420	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	463.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18489	0.5
58.27738	0.4
59.01237	1.1
59.75935	0.4
61.59015	0.5
64.92173	0.4
65.00193	0.5
71.01244	1.0
84.63152	0.4
85.02824	0.8
86.12991	0.4
98.19772	1.2
111.20226	0.4
122.52364	0.5
123.00721	0.7
125.02307	1.0
137.27805	0.6
145.02849	0.6
148.01605	0.5
157.02762	0.6
160.01573	0.9
163.03845	0.5
166.99791	0.5
169.01302	1.0
172.01518	2.1
173.02278	1.0
177.01996	0.5
185.02368	1.0
188.01064	0.7
200.01100	2.8
201.01808	1.3
216.00580	2.6
217.01300	0.9
226.99626	0.5
228.00600	1.6
229.01321	2.1
242.99348	1.7
244.00096	3.5
245.00792	1.1
249.04074	0.5
257.00858	1.2
270.98914	0.9
271.99622	2.6
275.02057	1.4
282.98865	1.6
283.99603	1.3
298.98331	1.3
299.99091	100.0
300.99847	73.7
302.00217	5.0
375.42584	0.5
390.80148	0.4
402.14923	0.9
403.14951	1.4
463.05161	98.2
464.05460	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	463.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41442	2.4
70.41846	1.9
71.01253	2.3
85.02831	5.4
95.01265	2.8
113.02350	1.9
116.87611	1.1
119.04842	1.5
123.00792	7.6
124.01582	2.1
125.02328	7.5
129.03352	1.6
131.04880	1.9
131.30246	1.1
145.02844	3.8
147.04378	2.3
157.02805	2.0
158.03561	1.1
159.04471	5.8
161.02309	1.9
163.03943	1.6
164.00969	1.2
173.02379	2.5
175.03850	7.5
177.01868	3.4
185.02315	2.5
187.03902	2.5
189.01819	1.6
190.02721	1.8
191.03389	2.4
201.01802	5.1
203.03448	20.0
204.03763	1.3
205.04706	1.1
213.01804	3.1
214.02609	1.7
217.01248	1.0
219.02879	1.9
221.04424	3.0
229.01338	10.9
230.01915	1.8
231.02950	22.8
232.03397	1.5
245.00883	1.8
247.02396	3.3
249.04004	100.0
250.04352	4.3
257.00897	11.0
258.01642	6.9
261.00146	1.2
273.00302	1.9
274.00992	1.6
275.01965	92.7
276.02222	7.6
283.99664	1.7
300.99875	45.7
302.00259	3.7
415.06366	1.1
419.06104	2.8
463.05115	21.9
464.05530	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	461.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	9.1
57.03325	7.7
58.00462	2.3
59.01253	65.1
61.98686	2.0
68.99696	1.5
69.03320	2.4
70.83703	2.0
71.01256	97.0
72.99177	3.9
73.02820	37.7
75.00739	2.4
79.95615	2.0
83.01255	21.5
83.01717	2.0
85.02824	52.0
85.99992	2.9
86.03164	1.3
87.00770	6.2
89.02301	8.7
95.01264	6.9
96.95872	4.0
97.02836	3.3
99.00759	16.5
101.02323	100.0
102.02678	2.3
109.06503	1.3
111.00742	12.1
113.02329	42.2
125.02351	4.5
129.01846	4.5
131.03438	2.0
136.07634	1.3
139.00351	1.2
141.01791	1.4
143.03421	4.4
159.02902	16.9
161.04475	43.2
169.01402	2.4
180.99548	2.1
183.13908	1.2
194.97551	1.5
203.03473	1.4
205.03380	2.6
207.10219	3.3
208.99130	1.9
213.18834	1.1
225.11263	1.8
231.60289	1.0
256.00131	1.1
279.23264	2.3
299.14102	1.5
299.25903	15.2
300.26190	1.9
300.99963	1.6
338.11990	1.4
366.11374	3.0
379.12033	1.4
381.13641	5.3
401.25403	2.4
429.08054	1.2
461.09799	4.8
461.20874	2.8
461.31241	99.6
462.31485	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	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46470	0.4
55.01736	0.8
55.06569	0.4
57.03321	1.0
59.01250	100.0
60.01628	1.1
61.98694	0.8
71.01258	10.8
71.12457	0.6
71.12795	0.8
72.99194	0.8
73.02816	2.5
74.38268	0.4
74.92178	0.4
79.95603	5.4
80.96402	1.4
83.01263	1.3
85.02832	4.9
85.06405	0.5
87.00780	0.7
87.56269	0.4
89.02323	3.9
95.01285	0.7
96.95875	1.2
99.00768	1.5
100.42892	0.5
101.02322	8.4
101.05986	0.8
102.69128	0.4
112.93614	0.5
113.02316	4.3
119.03409	1.5
121.02779	0.7
125.02366	0.9
125.28486	0.5
138.28624	0.4
143.03415	1.2
154.98009	0.8
156.75699	0.5
159.02882	1.1
161.04471	6.2
169.01434	0.7
170.00348	0.5
179.05557	0.8
207.10344	0.6
240.09019	1.0
245.00998	0.5
247.02634	0.5
249.96115	1.3
255.11319	3.4
264.16183	0.6
299.10489	1.3
401.25461	7.0
402.25879	0.9
417.11914	1.4
461.18762	0.8
461.30908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46470	0.4
55.01736	0.8
55.06569	0.4
57.03321	1.0
59.01250	100.0
60.01628	1.1
61.98694	0.8
71.01258	10.8
71.12457	0.6
71.12795	0.8
72.99194	0.8
73.02816	2.5
74.38268	0.4
74.92178	0.4
79.95603	5.4
80.96402	1.4
83.01263	1.3
85.02832	4.9
85.06405	0.5
87.00780	0.7
87.56269	0.4
89.02323	3.9
95.01285	0.7
96.95875	1.2
99.00768	1.5
100.42892	0.5
101.02322	8.4
101.05986	0.8
102.69128	0.4
112.93614	0.5
113.02316	4.3
119.03409	1.5
121.02779	0.7
125.02366	0.9
125.28486	0.5
138.28624	0.4
143.03415	1.2
154.98009	0.8
156.75699	0.5
159.02882	1.1
161.04471	6.2
169.01434	0.7
170.00348	0.5
179.05557	0.8
207.10344	0.6
240.09019	1.0
245.00998	0.5
247.02634	0.5
249.96115	1.3
255.11319	3.4
264.16183	0.6
299.10489	1.3
401.25461	7.0
402.25879	0.9
417.11914	1.4
461.18762	0.8
461.30908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
57.03312	0.5
59.01248	2.4
63.02261	0.4
65.00193	0.6
69.03320	0.3
71.01257	2.0
71.56913	0.5
72.27132	0.3
72.99168	0.3
83.01271	0.4
85.02836	0.5
88.03900	0.8
89.02300	0.8
93.03334	0.3
101.02332	0.7
107.01262	1.4
109.06484	0.6
110.86271	0.3
115.00305	0.4
117.03348	1.3
121.02863	0.3
123.00761	0.4
125.02335	1.5
132.24881	0.3
135.00703	0.3
151.00264	1.4
155.04947	0.3
159.04388	0.8
161.02344	0.9
161.04445	0.5
163.03767	0.3
166.99773	0.3
169.01405	2.1
170.75401	0.3
171.04375	0.5
178.99599	0.4
182.03629	0.4
183.04437	4.0
185.02411	0.4
187.03934	0.6
194.73303	0.3
207.10138	0.9
211.03915	2.5
212.04166	0.3
212.85115	0.3
217.01369	0.4
218.04581	0.3
225.11317	1.0
226.02696	0.5
227.03491	3.1
228.04158	0.4
242.01959	0.4
243.02972	0.6
245.00877	0.3
255.02960	41.8
256.03336	3.5
270.01660	0.5
271.02527	1.6
283.02460	100.0
284.02893	10.2
285.03772	0.5
298.04730	1.0
299.02188	0.7
299.05588	11.5
299.18719	0.3
300.02805	0.5
300.05942	1.2
301.00140	0.3
314.04315	0.9
315.01495	0.5
315.04987	0.6
316.02243	0.7
317.02890	0.4
329.03033	0.7
341.06622	0.6
359.07764	0.4
429.08151	2.3
446.08505	19.3
447.08923	2.8
460.25623	0.7
461.10910	43.7
461.25681	1.3
461.26913	1.3
462.11282	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71971	0.6
59.01249	11.7
61.98689	1.0
66.87039	0.7
69.03294	1.1
70.96568	1.9
71.01247	4.0
73.02811	1.0
74.13152	0.7
79.95612	0.8
80.96371	0.8
85.02798	1.4
89.02313	3.1
93.22151	0.6
96.95930	1.1
101.02296	2.6
113.02332	1.7
121.02811	0.7
123.00771	1.0
125.02332	3.2
145.02940	0.7
146.08182	0.9
161.04497	1.5
163.03831	0.7
163.11153	0.7
167.10690	1.4
169.01349	2.1
173.02272	0.8
177.01877	0.9
181.04991	0.8
189.01787	1.2
190.02628	0.8
203.03404	1.7
207.10204	1.0
214.02821	0.9
217.01309	1.6
219.02953	0.7
225.11218	1.1
227.03427	10.0
229.01326	2.9
229.04987	2.0
230.02330	0.9
240.04216	0.8
241.05042	2.0
242.02220	1.7
243.02910	2.4
245.00890	1.3
247.02391	1.2
255.02986	3.8
255.06560	1.4
261.03918	1.3
267.02988	0.9
268.03491	0.8
269.04477	1.1
269.08011	1.4
270.08932	1.3
271.02490	4.9
273.04004	0.8
277.03522	1.0
284.06598	0.9
285.04074	2.3
286.04630	1.0
287.05676	6.0
297.07584	4.4
299.01907	3.0
300.02728	4.3
300.05731	0.8
301.00220	1.1
301.03519	2.9
315.01923	1.1
315.05051	4.1
315.08307	1.0
319.00961	3.6
325.07040	3.7
329.06671	3.2
342.07532	1.2
353.06433	1.0
357.09854	7.8
358.10202	1.0
367.08295	1.0
385.09302	4.2
398.51193	0.7
401.21744	1.6
417.11954	1.9
418.52548	0.8
429.08359	1.7
460.19385	0.8
461.10873	100.0
462.11215	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.1
61.98702	0.8
68.19839	0.7
69.03328	0.9
71.01256	4.2
71.01614	0.5
71.56269	0.8
71.56649	0.8
72.99162	1.0
73.02821	1.0
75.00755	0.9
79.95625	1.3
80.96376	0.7
82.37337	0.7
83.01227	0.8
83.04919	0.9
85.02814	1.1
89.02293	1.7
95.01262	1.0
95.25683	0.6
96.95918	0.8
97.02853	1.0
99.00752	0.8
101.02321	2.1
113.02330	2.1
123.00763	1.1
125.02315	2.4
125.09676	0.7
137.02219	0.8
139.00285	0.8
141.09464	0.7
147.04384	1.1
149.79266	0.6
151.00261	1.0
161.04469	1.3
167.10698	0.8
168.00325	0.6
169.01314	1.1
173.02341	0.9
175.03920	0.8
175.31010	0.6
177.01906	1.1
187.00351	0.7
189.01871	1.1
191.03329	0.7
201.01817	1.1
201.43320	0.7
203.03386	1.7
207.06554	0.7
207.10197	1.2
214.99829	0.7
217.01474	1.7
219.02950	1.3
225.11345	1.4
227.03452	8.6
228.03990	1.1
229.01364	2.9
229.05090	1.3
241.01331	0.9
241.05020	2.6
242.02187	2.0
243.03008	2.6
245.00867	1.9
248.03166	1.2
255.02998	4.2
255.06647	1.2
261.04050	2.0
267.02838	0.9
269.04581	1.0
269.08121	2.4
270.01550	1.0
271.02454	6.5
275.02130	0.8
283.06091	0.8
285.04013	2.4
286.98212	0.9
287.05511	5.7
296.03250	0.9
297.04462	0.9
297.07617	4.7
299.01971	2.9
299.05331	0.9
299.18668	1.7
300.02692	5.6
301.00122	1.1
301.03433	3.5
302.03949	1.0
315.01639	1.1
315.05054	4.7
319.01007	3.1
325.07111	4.6
329.03152	1.0
329.06744	2.3
343.08160	0.8
353.06592	1.2
357.09808	9.4
358.10107	1.4
385.09280	3.7
401.22003	1.3
417.11966	2.4
429.08237	1.1
460.19089	1.3
461.10922	100.0
462.11258	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	0.3
59.01250	100.0
60.01588	0.9
70.04698	1.5
71.01252	5.0
72.99182	0.3
73.02827	0.8
78.42517	0.3
80.88073	0.3
83.01259	0.5
84.45295	0.3
85.02825	1.1
89.02319	7.4
95.01281	0.5
96.95908	0.3
98.00594	0.3
101.02312	4.4
104.90469	0.3
113.02339	2.7
119.03385	4.2
120.23013	0.3
125.02341	0.4
126.63068	0.3
143.03386	0.6
161.04491	1.3
169.01370	0.8
172.80496	0.4
179.05502	1.5
197.29922	0.3
231.05531	0.3
399.23676	2.2
407.04443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46576	2.1
59.01249	64.5
69.03336	2.3
71.01251	32.6
72.99190	4.5
73.02836	4.6
82.98631	1.8
83.01266	4.6
83.04874	2.1
85.02831	14.2
87.00729	4.0
88.03909	3.9
89.02319	28.4
95.01266	5.9
96.95897	4.2
99.00744	2.4
99.08028	15.0
101.02321	26.3
103.44154	2.2
105.70176	1.8
107.01266	12.3
111.00759	5.5
113.02335	13.7
119.03387	10.8
119.04863	2.1
123.00789	17.9
125.02346	42.8
126.02672	2.5
127.07558	4.6
129.09030	1.9
133.55858	2.4
135.04407	10.2
137.02374	3.0
137.09697	2.4
139.00298	5.4
140.01070	2.8
141.01834	2.2
145.02859	2.5
145.08607	70.3
146.08925	2.7
151.00285	6.6
161.04466	4.7
163.11195	15.1
165.01866	1.9
166.99814	3.9
167.10687	2.7
168.00563	8.2
169.01341	45.8
170.01662	2.4
177.01756	2.2
187.09657	3.4
191.03389	2.3
194.99335	2.2
211.02420	11.6
217.01221	1.9
219.13843	6.5
229.01459	2.5
235.08159	8.0
245.00891	3.2
247.02489	2.7
271.04581	12.1
297.17068	10.3
299.99194	3.6
300.99863	7.2
307.13959	85.9
308.14359	5.4
313.05542	3.7
459.10529	11.7
459.15021	100.0
459.22336	30.4
460.16531	10.9
460.21799	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.4
58.66386	0.3
58.66693	0.3
59.01251	100.0
60.01589	0.9
66.12425	0.4
69.56870	2.3
71.01251	7.9
71.01610	0.6
72.99194	0.6
79.95601	0.5
80.96419	0.4
81.87588	0.3
82.97940	0.3
85.02837	1.3
87.00751	0.5
89.02319	12.9
95.01254	0.6
96.95889	0.6
98.20513	0.8
101.02335	4.4
109.95498	0.4
113.02322	4.1
119.03389	5.3
125.02358	0.5
131.03372	0.6
143.03413	0.7
149.04483	0.7
161.04530	1.2
169.01381	0.4
179.05565	1.9
217.00264	1.3
259.46088	0.3
301.35318	0.4
344.49673	0.3
432.20544	0.4
457.23312	0.4
457.28848	0.5
476.20703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25443	0.8
71.01251	5.9
71.27206	1.1
115.00256	7.7
123.00781	0.8
125.18387	0.7
133.01312	15.3
134.03639	2.1
135.04410	89.8
136.04765	4.1
152.36714	0.7
161.02269	1.3
179.03415	100.0
180.03757	4.6
194.89670	0.9
328.76285	0.8
341.08740	51.0
342.09000	3.5
363.78238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
65.55345	0.4
65.73463	0.4
67.07115	0.4
70.07435	1.7
71.01250	19.2
72.99184	4.1
89.02316	3.0
92.06467	0.5
95.01276	0.5
111.36294	0.4
115.00256	54.9
116.00605	1.2
117.03336	0.6
123.00822	0.5
125.02333	1.1
133.01321	100.0
133.02928	2.6
134.01691	1.7
134.03645	0.8
135.04408	67.3
136.04730	2.5
160.01590	0.8
161.02353	11.4
161.03679	0.8
179.03412	82.9
180.03770	4.1
194.88805	0.5
201.01697	0.6
239.08757	0.5
246.20634	0.4
264.61838	0.4
323.07651	3.4
341.08746	51.0
342.09152	3.5
457.09875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96115	11.3
68.99684	7.4
69.92173	11.7
79.95595	7.2
80.96388	3.6
81.03327	10.1
88.65916	1.9
91.05401	9.2
93.03331	5.5
93.06952	3.7
95.01261	13.1
95.04893	6.6
96.95901	2.2
104.25876	2.3
106.04129	2.6
106.99051	2.2
107.04919	15.3
109.02818	8.0
119.04929	16.9
121.02838	9.3
121.06487	13.6
122.03613	8.4
123.04420	2.7
133.06421	11.2
135.04408	100.0
136.04771	3.5
137.05972	34.6
138.95206	3.4
144.10129	2.0
147.04424	15.2
150.03087	4.9
150.06732	5.2
151.02158	3.2
163.03860	4.9
179.01680	6.3
180.02423	9.1
181.03221	4.3
182.05739	8.1
182.79782	2.3
210.83292	2.3
212.01402	16.1
236.18188	2.1
261.18585	3.3
278.35101	2.1
293.15750	8.0
294.16562	32.7
295.17419	2.4
326.15533	96.5
327.15674	11.3
407.46353	2.0
455.26486	8.0
463.25449	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	455.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24440	0.4
59.01240	0.9
61.98695	0.5
68.13915	0.5
68.81628	0.5
68.91679	0.5
71.56391	0.9
78.95766	7.3
92.28149	0.5
139.00160	0.5
152.99483	14.3
160.84164	2.3
162.83807	6.9
171.00658	1.0
227.03123	2.5
227.20126	100.0
228.20416	7.3
245.04185	0.8
260.27194	0.5
265.59134	0.5
272.88086	0.5
298.96973	0.6
395.17285	0.6
413.93170	0.6
418.07941	1.3
419.07996	1.1
420.07611	1.1
455.24142	21.9
455.34711	0.8
456.24377	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.9
57.03315	3.5
58.00460	1.8
59.01249	59.8
60.12094	0.7
61.98694	1.1
69.51370	3.6
69.51792	2.5
71.01252	39.3
72.01568	1.1
72.99178	2.8
73.02814	11.8
75.00764	1.1
78.16692	0.9
78.95776	1.8
79.95599	1.1
83.01252	7.5
85.02823	16.1
87.00745	5.1
89.02317	20.6
95.01267	2.4
97.02808	2.2
98.20560	0.8
99.00755	5.7
101.02318	37.2
102.02647	0.9
111.00759	3.6
113.02325	12.5
114.02705	1.0
115.03969	1.0
119.03383	1.1
123.00755	1.3
125.02364	5.2
131.03394	14.0
135.04388	2.0
136.04739	1.3
143.03366	2.2
149.04460	4.6
149.97614	0.9
151.00180	1.8
159.02873	2.2
161.04437	6.4
169.01332	3.5
170.01646	0.8
170.78789	0.8
177.01820	0.8
180.77487	0.8
186.81158	0.8
201.01912	0.9
233.06516	1.4
238.60347	1.1
247.02405	1.7
263.14996	38.0
264.15247	2.1
275.95740	1.0
285.14087	0.8
299.05920	0.8
301.00046	0.9
301.03369	1.7
327.04996	2.0
395.19180	100.0
396.19537	11.6
417.08292	3.7
459.11154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.9
57.03315	3.5
58.00460	1.8
59.01249	59.8
60.12094	0.7
61.98694	1.1
69.51370	3.6
69.51792	2.5
71.01252	39.3
72.01568	1.1
72.99178	2.8
73.02814	11.8
75.00764	1.1
78.16692	0.9
78.95776	1.8
79.95599	1.1
83.01252	7.5
85.02823	16.1
87.00745	5.1
89.02317	20.6
95.01267	2.4
97.02808	2.2
98.20560	0.8
99.00755	5.7
101.02318	37.2
102.02647	0.9
111.00759	3.6
113.02325	12.5
114.02705	1.0
115.03969	1.0
119.03383	1.1
123.00755	1.3
125.02364	5.2
131.03394	14.0
135.04388	2.0
136.04739	1.3
143.03366	2.2
149.04460	4.6
149.97614	0.9
151.00180	1.8
159.02873	2.2
161.04437	6.4
169.01332	3.5
170.01646	0.8
170.78789	0.8
177.01820	0.8
180.77487	0.8
186.81158	0.8
201.01912	0.9
233.06516	1.4
238.60347	1.1
247.02405	1.7
263.14996	38.0
264.15247	2.1
275.95740	1.0
285.14087	0.8
299.05920	0.8
301.00046	0.9
301.03369	1.7
327.04996	2.0
395.19180	100.0
396.19537	11.6
417.08292	3.7
459.11154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.5
58.00463	1.9
59.01248	43.4
70.16671	5.9
71.01247	26.7
72.99146	2.1
73.81697	1.8
79.05425	2.2
81.03328	2.2
83.00364	1.8
83.01263	3.8
83.04895	1.8
85.02834	6.7
89.02321	24.0
90.64237	1.6
95.01260	3.1
95.04900	7.8
96.95893	2.3
97.02836	6.4
101.02337	12.4
107.04911	4.9
109.02837	7.4
109.06461	7.4
111.04422	7.7
113.02314	11.4
119.03386	11.0
121.06459	5.9
122.03628	60.2
123.00757	4.9
124.05180	8.6
125.02360	8.5
125.05978	2.4
135.04405	5.4
136.05191	16.2
137.05992	29.9
138.06792	2.9
139.07552	29.0
145.10074	2.9
147.08092	2.6
149.06032	2.2
154.23564	1.7
163.00235	2.5
163.07574	2.7
163.11162	2.2
165.98964	1.5
166.99782	4.3
169.01373	6.5
170.01802	1.8
171.08035	6.4
171.48849	1.7
175.07660	1.8
179.05478	1.9
185.09558	2.4
187.11201	47.8
188.11562	3.1
189.09200	4.0
190.09915	6.1
200.29149	1.7
205.12280	30.8
206.12500	2.0
213.09219	1.9
231.10193	23.6
247.02695	2.3
249.11307	17.6
273.11237	3.1
275.09464	2.8
293.10333	100.0
294.10706	7.2
300.99881	5.6
335.11243	2.9
395.54169	2.5
417.56763	1.9
455.15640	50.4
456.15784	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.4
59.01247	0.6
66.06991	0.3
66.09534	0.3
67.01752	1.0
67.74307	0.3
68.96964	0.3
68.99698	0.4
69.03310	1.0
71.01249	3.8
72.99158	0.4
73.02803	0.9
79.01761	1.1
79.49327	0.3
83.01241	1.1
85.02816	1.5
87.00745	0.6
95.01260	2.3
97.02814	1.4
98.20519	0.6
100.08813	0.3
101.02333	1.9
101.02915	0.3
107.01269	7.4
109.02809	0.5
109.99966	0.6
111.00782	3.2
113.02324	0.9
114.25187	0.3
122.38919	0.4
123.00766	19.5
124.01558	20.8
125.02345	32.8
126.02679	0.9
127.00276	0.6
136.98698	1.5
137.02304	1.3
138.03137	2.3
139.00266	5.0
139.03905	7.9
140.01054	4.0
141.01836	1.8
145.02882	0.7
149.02338	0.4
151.00276	8.3
151.03893	0.4
153.01839	0.7
161.02368	0.6
163.03879	0.4
166.02545	0.5
166.99745	0.7
167.03406	0.4
168.00548	5.7
169.01332	35.6
170.01678	1.5
179.03384	0.3
183.02901	4.8
191.03314	0.7
211.02466	0.9
225.03986	1.2
245.00833	0.6
247.02440	1.4
273.00375	1.3
285.06012	2.1
291.05017	0.4
297.06149	1.1
300.99948	2.8
301.09348	0.4
313.05670	6.7
327.07153	1.9
412.96429	0.4
438.08029	0.4
446.26154	0.4
453.10349	100.0
454.10767	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	455.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89372	0.4
59.01248	18.4
59.22745	0.4
61.98692	1.9
71.01256	4.1
71.56570	0.5
73.02811	1.5
78.04081	0.4
78.28707	0.5
79.95609	1.1
85.02810	1.9
85.84334	0.4
87.04389	1.3
88.05922	0.4
89.02318	3.3
96.95895	0.7
101.02316	3.5
102.02655	0.7
113.02335	2.0
119.03397	1.3
125.02325	1.6
137.09636	0.6
161.04489	1.1
167.04893	0.8
169.01306	0.5
173.09583	1.2
174.10410	1.3
178.34264	0.5
183.04514	0.9
189.12796	4.2
195.04424	2.6
207.04459	1.0
211.03923	2.1
221.02376	0.5
223.03995	2.5
226.02361	0.6
227.03467	1.4
233.11760	12.0
235.04037	0.6
237.01990	1.0
238.02747	0.7
239.03523	2.9
249.01973	1.1
250.02626	1.0
251.03394	2.7
255.02907	1.8
263.03406	0.6
265.01453	1.5
266.02151	1.0
267.02966	4.3
273.00333	0.7
277.01364	1.9
277.16507	0.8
278.02133	0.7
279.03058	2.7
282.01584	0.6
283.02487	2.5
293.00928	1.2
294.01633	1.1
295.02466	5.0
300.99716	0.9
305.00912	1.6
306.01343	0.8
307.02472	2.2
310.01068	0.6
311.01965	6.8
312.02155	1.0
321.00327	1.5
322.00943	0.6
323.01938	4.6
333.00381	2.6
334.00909	0.7
335.01877	0.9
338.00729	0.6
339.01392	8.4
340.01910	0.7
348.99951	2.1
350.00397	0.7
351.01443	2.9
360.99939	1.5
366.96310	1.0
367.00903	15.7
368.01276	1.6
376.99237	2.2
379.00903	7.1
380.01300	1.1
395.00397	15.8
395.05533	0.9
396.00693	2.0
404.98932	1.4
422.99911	100.0
424.00266	10.2
455.02625	5.3
456.03159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.0
59.01255	7.9
70.58096	2.7
71.01244	5.5
76.04142	1.0
83.21446	1.0
89.02320	5.9
96.95879	1.1
98.19813	1.1
101.02330	2.2
107.01272	2.8
113.02330	2.7
119.03401	1.4
123.00751	3.1
124.01564	1.2
125.02320	10.2
128.03450	1.6
133.02887	2.1
137.00552	3.5
139.03871	1.0
139.67494	1.1
140.01030	1.2
144.50105	0.8
145.02861	1.9
151.00284	0.9
160.01558	5.7
163.00261	1.3
164.94635	0.9
165.00081	7.5
167.01530	1.3
168.00475	1.0
168.99953	1.7
169.01318	12.5
169.67424	0.9
170.01636	1.3
191.03452	1.4
192.99571	100.0
193.99820	4.8
203.03500	1.6
211.53084	1.0
217.01468	1.7
245.00870	2.1
247.02499	4.9
273.00372	3.9
275.01776	1.2
291.01431	1.4
292.08255	1.6
300.99860	6.3
302.00000	1.2
370.41962	1.0
373.05954	42.7
374.06470	5.4
374.26950	1.0
453.01343	11.3
453.10669	7.7
454.01776	2.0
459.04752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07747	0.4
59.01260	2.5
61.98672	0.8
65.00165	0.8
71.01283	0.7
71.56062	0.6
79.95599	0.7
83.01258	1.2
88.52927	0.5
95.01259	0.8
95.39391	0.6
96.95872	0.5
97.73483	0.4
101.02333	0.6
107.01261	2.0
120.99560	1.3
123.00775	1.4
125.02336	6.8
126.02656	0.6
137.02328	0.9
139.00311	0.8
145.02831	1.7
151.00298	5.2
152.00543	1.0
152.99524	0.6
153.00699	0.7
163.03996	0.5
169.01340	13.8
171.40741	0.5
173.02361	1.8
178.99797	2.0
180.00029	0.6
181.00255	0.9
181.12228	0.7
185.02383	3.0
189.01761	0.7
201.01868	3.0
207.10095	0.7
216.00792	0.6
217.01382	1.4
218.02019	0.7
225.11327	1.1
226.99680	0.9
229.01384	4.4
240.00475	0.6
245.00883	2.7
247.02492	1.0
257.01031	2.6
270.98889	1.2
273.00449	1.3
275.01828	0.6
283.99652	2.8
298.98312	1.0
299.99091	6.5
300.99890	100.0
302.00223	7.5
318.03012	0.7
319.03571	3.0
320.03671	1.9
321.03967	1.5
453.00827	2.0
453.08124	5.0
454.08374	0.8
464.17279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
59.01245	0.2
67.39313	0.1
71.56088	0.3
78.95776	18.3
79.95619	0.3
96.73775	0.2
122.00014	0.9
125.02335	0.2
134.98361	0.3
140.01091	5.7
151.41745	0.1
152.99464	1.7
159.87781	0.2
160.84077	0.3
166.02641	0.3
174.43692	0.2
177.98676	0.1
196.03731	10.3
197.04002	0.3
199.38634	0.2
214.04799	2.1
255.23265	100.0
256.23605	10.6
256.26410	0.3
300.99954	0.2
432.47537	0.2
452.27811	24.4
453.28201	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	451.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31585	0.8
59.01249	100.0
60.01603	1.1
61.18452	1.0
62.20073	0.9
68.31818	0.9
71.56437	0.9
71.56834	1.1
78.95779	3.1
81.03327	3.9
83.04893	13.0
96.95873	2.3
125.02309	1.4
141.32094	0.9
146.07822	0.8
153.85635	0.9
169.01332	2.2
177.59695	0.9
196.00519	1.2
231.46330	1.1
367.01682	1.1
391.29648	38.4
392.29916	5.2
450.99155	1.1
451.15903	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	451.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.9
59.37730	1.2
65.13708	1.3
66.75091	1.2
71.56622	1.9
78.95789	4.1
79.95611	3.5
80.96390	5.5
94.97971	1.4
95.04904	6.2
96.95889	3.4
112.93609	12.5
121.10087	5.1
122.23727	1.6
149.09642	2.1
152.91614	1.5
174.99191	2.4
182.30214	1.9
226.01474	1.6
246.04321	1.7
253.21690	2.9
254.22006	4.4
265.04007	4.1
265.06979	1.6
269.07095	13.2
275.20172	1.9
279.05432	2.4
284.02191	1.5
321.10071	1.9
347.15417	1.7
354.09952	3.3
369.13489	2.6
391.18033	100.0
392.18369	10.4
450.66696	5.6
450.99323	1.7
451.10760	2.3
451.16623	3.6
451.26120	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84576	1.2
56.95739	1.2
59.01246	5.4
60.95141	1.2
61.98703	1.6
69.03346	1.7
69.17158	1.2
70.03223	1.0
73.59947	1.3
78.95777	2.7
79.95618	2.6
80.96386	4.9
92.87932	1.4
93.03328	1.6
95.04901	4.3
96.95898	3.4
98.20662	3.1
112.93618	10.1
114.50131	1.2
114.93156	1.4
121.06479	1.2
121.10134	6.5
132.98140	1.2
149.09630	1.9
152.99524	1.3
156.90196	1.3
158.84624	1.9
174.99152	2.0
181.97929	1.2
226.01515	2.1
229.93439	1.7
244.02579	1.5
253.21684	3.5
254.21954	4.2
265.03918	3.8
269.06931	9.3
269.26733	1.3
275.20114	2.1
279.05472	2.8
281.38541	1.3
300.99011	1.3
304.25137	1.3
354.09985	4.8
364.47397	1.3
369.13370	1.8
371.32361	1.5
371.50287	1.2
391.18018	100.0
392.18140	9.2
450.66904	6.2
450.99524	1.8
451.10867	1.9
451.16412	3.1
451.26361	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	451.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77678	0.6
59.01244	2.4
71.01250	1.0
79.95580	0.6
96.95869	0.6
98.20516	1.2
113.68385	0.6
152.99541	0.9
164.08353	0.8
174.99135	3.7
177.09106	0.9
187.81981	0.6
190.09889	1.3
192.11493	1.1
204.11528	1.0
205.12280	1.4
217.45540	0.6
220.12563	1.1
220.14616	12.8
221.15378	8.8
222.15634	0.9
236.10486	4.4
279.01868	0.7
279.09387	0.6
280.06342	1.4
290.04669	0.7
292.06329	2.0
293.07034	1.4
300.99869	0.9
304.06235	1.5
306.07849	1.9
306.89157	0.6
307.05292	0.6
309.10107	0.9
312.02597	0.7
319.04944	2.6
321.10242	2.0
334.07315	100.0
335.07764	10.7
337.13324	8.0
338.13818	0.8
351.11108	6.7
352.11472	1.0
364.09329	0.6
378.46497	0.7
381.12189	2.1
391.14352	13.8
392.14673	2.1
393.99973	0.8
450.99356	0.8
451.34286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55101	1.5
59.01239	4.2
71.01257	21.1
83.01273	1.8
85.02838	3.9
88.03913	65.0
93.03336	2.6
95.64083	1.8
101.02322	7.0
107.01298	2.5
113.02352	2.5
114.01846	2.4
115.00251	17.3
123.00737	3.3
123.87428	1.5
125.02328	10.2
130.06511	14.9
132.02916	46.8
146.05957	3.7
156.04407	3.5
161.02394	2.2
163.00294	1.7
169.01347	12.2
173.07104	78.3
174.07445	4.1
177.01804	1.7
191.03477	2.5
205.23576	1.7
219.02892	2.2
243.07584	2.2
247.02502	2.8
248.01514	1.8
261.00494	2.1
273.00311	2.3
275.02042	3.4
292.11823	10.1
300.99915	4.9
313.06003	2.3
335.12476	25.3
336.10681	14.4
399.01981	1.9
407.14343	3.0
433.12408	9.4
451.13547	100.0
452.13937	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	451.1243
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
57.34851	0.3
58.00458	0.3
58.02839	0.3
59.01249	6.6
60.01598	0.3
61.89700	0.3
65.00192	0.5
67.01759	1.4
68.52277	0.3
68.68593	0.3
68.99690	0.4
69.03347	0.8
71.01247	4.4
71.55837	0.3
71.56293	0.4
72.99171	0.9
74.02357	0.4
79.01786	1.1
83.01262	0.9
85.02827	1.3
87.00768	0.8
89.02305	3.0
95.01260	3.6
97.02837	1.2
98.02337	0.8
101.02318	2.9
107.01262	5.5
109.02853	0.5
109.16842	0.3
110.00036	0.3
111.00774	2.9
113.02339	1.4
116.04951	1.1
119.01199	0.3
119.03424	0.6
119.04932	2.6
121.04226	0.3
123.00766	19.9
124.01652	1.6
125.02336	22.1
126.02668	0.8
127.00229	1.6
133.02863	0.6
135.04460	0.5
136.98685	2.0
137.02336	0.6
137.05975	1.4
139.00258	5.4
139.03888	0.3
140.01057	4.6
141.01849	3.1
142.06447	0.4
145.02802	0.5
147.04430	0.4
151.00279	10.6
151.03798	0.3
152.00633	0.5
153.01886	1.1
154.99741	0.4
161.02307	0.8
163.00301	0.6
163.03896	1.0
166.99809	0.6
167.03378	0.4
168.00558	4.6
169.01338	24.3
170.01715	1.2
173.02431	0.3
175.03995	0.3
176.01067	0.3
177.01889	1.0
181.05006	0.4
187.00368	0.7
188.00981	0.6
189.01869	0.7
190.99754	0.4
191.03467	0.4
203.03488	0.4
203.08130	1.7
211.02432	4.3
212.02863	0.5
214.99883	0.9
217.01424	0.7
227.08324	1.6
229.01369	0.5
229.06265	0.6
245.00899	0.6
245.09262	1.3
247.02403	0.5
257.00873	0.3
270.98920	0.4
271.04562	3.5
272.04965	0.8
273.00290	0.6
275.01953	1.6
287.10474	0.3
300.99960	2.0
313.05569	1.1
313.08392	0.9
331.04547	0.6
408.02008	0.4
426.07828	0.3
438.03110	0.5
450.99548	3.3
451.12463	100.0
452.12814	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	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.0
59.01255	8.7
65.00182	8.9
67.01746	3.1
68.99691	2.4
69.03301	1.6
69.74020	1.8
69.74440	4.8
71.01253	11.8
72.99176	2.3
73.02816	1.4
79.01769	1.3
79.95612	1.8
81.03323	2.6
83.01259	4.4
85.02807	3.3
87.00745	2.3
89.02308	3.3
91.01748	2.2
93.03319	1.9
95.01260	15.6
96.95901	1.8
96.99200	3.3
97.02822	3.1
97.99945	1.0
98.20519	1.8
99.00764	5.5
101.02309	4.4
107.01249	9.3
107.04898	2.1
108.02059	6.0
109.02816	4.1
109.99985	5.5
111.00771	12.5
113.02304	4.8
117.03352	9.3
119.01255	1.6
119.04921	9.3
121.02869	6.2
123.00760	35.3
123.04345	7.2
124.01557	30.3
124.98673	2.0
125.02332	32.8
127.00208	1.1
130.04050	1.2
131.04941	1.2
133.02855	5.6
134.03662	5.2
135.00742	1.5
135.04416	14.7
136.04724	1.7
136.98726	5.4
137.02335	1.8
138.01840	11.1
138.03105	6.4
139.00273	13.9
139.03917	14.4
140.00987	1.9
141.01814	2.4
143.01248	1.1
143.04901	3.6
145.02829	3.8
147.04362	2.4
149.02359	4.0
150.03096	2.3
151.00262	14.0
151.03896	3.6
152.01091	7.6
153.01888	6.1
154.99780	1.7
155.01262	1.6
157.01340	1.4
157.06471	2.1
158.03587	1.8
159.00694	1.0
159.04391	3.1
160.01344	1.1
161.02386	5.6
163.00244	3.8
163.03911	3.3
164.01028	1.5
164.98193	3.7
165.01888	2.2
165.98898	2.0
166.02515	2.1
166.99767	11.3
167.03404	19.2
168.00595	5.6
169.01326	33.7
169.02762	2.0
170.01649	1.1
171.04398	2.9
173.02385	1.8
173.05998	2.4
174.03078	1.1
175.03908	2.6
176.01053	1.9
177.01848	11.6
177.05440	5.8
178.99731	5.0
180.97701	4.2
181.05048	1.3
182.99222	1.8
183.04459	3.4
185.02324	2.6
185.05989	2.7
186.03120	1.5
187.00316	5.4
187.03835	7.1
188.01030	2.0
188.04335	1.3
189.01843	3.9
189.05368	1.8
190.02460	2.1
191.03427	2.0
192.00577	3.4
193.01250	3.7
194.99261	1.7
199.03885	2.0
200.04623	1.5
201.01848	1.8
201.05525	4.5
202.99773	1.1
203.03419	7.1
205.05011	1.6
211.00249	3.7
211.02354	2.4
211.03973	3.9
213.01840	1.9
213.05511	3.6
214.99861	4.9
215.03412	3.8
216.00549	1.1
216.04189	1.0
217.01308	4.3
219.02876	2.0
219.06541	2.1
226.99756	3.1
227.03419	4.0
228.04066	1.7
229.01378	2.3
229.05075	5.2
231.03038	1.2
231.06424	1.1
233.04430	1.7
239.03329	4.5
240.04175	2.2
242.99278	3.1
245.00865	3.0
246.01292	1.2
247.02382	3.0
249.03900	1.1
255.02960	15.1
256.00040	3.9
256.03525	3.6
257.04520	11.6
259.99576	1.8
261.00439	2.2
266.99326	100.0
267.99713	9.5
268.03781	1.2
269.04364	1.0
270.98975	4.9
271.04596	3.8
273.00369	5.9
273.04013	3.4
274.01013	4.6
275.01212	6.1
275.05457	1.9
281.06741	1.0
282.99609	1.2
283.02484	7.4
283.99722	3.3
284.03177	24.4
285.00626	1.5
285.03635	4.5
287.05530	1.5
287.98834	1.0
288.99823	1.3
289.03244	1.5
289.06177	3.0
296.05389	1.7
297.06229	1.8
298.98508	2.2
299.98965	1.5
300.99823	10.5
301.03479	12.7
307.99585	3.7
310.98306	60.7
311.07654	30.4
311.98761	6.7
312.08069	2.2
313.05664	9.0
319.04544	3.2
323.98969	5.3
326.97894	1.2
329.05179	3.0
335.99078	2.4
339.01303	1.3
395.00577	4.6
422.99692	5.5
433.07770	5.8
438.03165	2.4
450.99307	19.3
451.08325	25.3
451.12695	26.4
451.19641	1.9
451.21542	1.8
451.32559	1.0
452.08624	5.1
452.13196	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	450.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19942	0.2
59.01236	0.8
62.28728	0.2
65.54675	0.2
68.99702	0.4
69.55423	1.5
71.01241	0.3
72.99160	0.2
85.63006	0.2
87.34325	0.2
89.02294	0.3
90.43820	0.2
95.01261	0.4
98.20553	0.2
107.01250	0.6
120.84682	0.2
123.00743	0.5
125.02319	1.5
163.03844	0.2
163.07413	0.2
166.99802	0.3
167.04922	0.6
168.00452	0.3
169.01355	1.8
169.06569	0.2
175.03941	0.2
177.01860	0.5
179.04980	0.4
183.04407	0.4
187.00363	0.3
189.01849	0.4
190.99710	0.2
191.05051	0.2
193.02936	0.2
195.04474	1.7
195.06131	0.3
197.06003	0.5
197.37704	0.2
207.04419	0.9
211.03929	1.1
213.05524	0.3
217.01329	0.4
220.03528	0.2
221.02289	0.4
223.03963	2.1
224.04280	0.3
225.01729	0.2
225.50575	0.2
226.02745	0.3
227.03377	0.5
229.01280	0.3
229.04134	0.2
233.02240	0.2
234.03149	0.4
235.04028	1.1
237.02086	0.3
239.03412	1.7
240.03748	0.2
242.99359	0.2
247.02545	0.2
249.01791	0.6
250.02615	0.7
251.03418	2.5
253.14331	0.2
254.02208	0.3
255.02948	0.8
257.00854	0.2
263.03470	0.7
265.01498	0.6
266.02167	0.8
267.02948	3.5
268.03369	0.3
269.04468	0.2
269.53381	0.2
273.00345	0.3
277.01379	0.7
278.02225	0.5
279.02948	1.7
281.00925	0.4
282.01752	0.7
283.02304	1.3
285.00406	0.3
285.03839	0.3
287.99268	0.2
293.00894	0.8
294.01541	0.5
295.02429	3.3
296.03024	0.4
298.98477	0.3
299.99033	0.3
300.99902	1.0
305.00961	0.7
306.01508	0.7
307.02487	1.4
308.02896	0.3
309.00281	0.4
310.01242	0.5
310.98468	0.5
311.01907	2.9
321.00342	2.5
322.00989	1.4
323.01935	5.6
323.98868	0.3
324.02429	0.6
324.99857	0.9
333.00473	0.8
334.01221	0.5
335.01938	3.9
336.02228	0.4
336.99707	0.9
338.00644	3.7
339.01370	6.2
339.98190	0.2
340.01828	0.5
348.99866	1.6
350.00571	1.3
350.97247	0.4
351.01416	6.1
352.01801	0.7
352.99374	0.9
360.99969	0.7
362.00381	0.3
363.01270	1.9
366.00116	2.0
367.00888	9.0
368.01202	0.7
376.99368	2.3
377.99991	0.4
379.00879	6.5
379.05771	0.4
380.01205	0.7
388.99393	0.3
390.00125	0.3
392.99213	0.5
395.00363	7.0
396.00638	0.9
404.98773	3.1
405.98743	0.4
407.00336	3.1
408.00543	0.4
418.51968	0.3
422.99921	3.6
423.05142	0.4
424.00482	0.5
432.98343	8.4
433.98819	1.4
438.03760	0.2
450.99399	100.0
451.99747	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	449.2758
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01761	1.5
57.03310	1.2
58.00474	0.5
59.01252	17.2
61.98693	1.7
69.03312	0.8
69.22067	0.4
69.92085	0.8
69.92500	1.9
71.01256	12.7
71.01655	0.6
71.04895	0.5
72.99196	1.3
73.02827	3.4
75.00741	0.8
77.18953	0.4
78.95786	0.7
79.95620	1.1
80.46309	0.5
80.96360	0.5
83.01244	2.8
85.02326	0.8
85.02819	6.6
85.06427	0.6
87.00773	2.3
89.02320	2.9
93.03332	1.1
95.01270	1.2
95.13772	0.4
96.95888	0.8
97.02836	0.8
99.00744	1.2
101.02323	9.3
107.01287	0.6
109.02859	1.0
111.00758	0.9
113.02313	4.2
119.03343	1.3
121.02911	0.6
123.00797	0.9
124.07598	0.7
125.02332	1.7
137.02322	1.2
141.12778	0.8
151.00276	1.9
161.04446	1.0
163.00224	0.7
165.01782	0.5
169.01303	1.5
178.99829	1.5
182.21869	0.5
213.14879	1.3
227.16502	1.8
253.09177	0.5
265.51688	0.5
269.21255	3.2
270.21436	0.5
273.56955	0.4
285.20728	0.8
287.14081	3.6
287.22278	25.9
288.22580	2.5
316.02090	0.5
317.03003	3.6
317.19635	1.1
329.14578	0.7
330.29535	0.4
389.21609	0.5
417.04889	0.6
431.26660	2.6
449.07062	3.0
449.27567	100.0
450.07285	0.7
450.27936	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00571	0.4
58.18256	0.5
59.01242	2.2
71.57023	0.6
78.95773	56.1
79.95604	0.9
87.45304	0.4
96.95882	1.4
96.96839	6.2
116.92751	3.5
116.97144	2.0
117.01861	0.9
125.09772	0.5
131.03397	0.5
142.93024	0.5
150.97905	1.8
151.00298	0.6
151.12111	0.4
152.99486	100.0
153.99834	1.7
157.35535	0.4
163.00186	0.6
171.00513	4.2
171.10126	0.5
295.22882	0.8
317.03088	1.0
367.15845	0.7
440.62396	0.4
449.10156	0.5
449.23013	11.6
450.23398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95213	0.3
55.61740	0.3
57.03322	0.8
59.01249	56.7
60.01577	0.6
69.77808	1.9
70.45010	0.3
71.01249	3.0
73.02821	1.2
83.01264	1.1
83.04890	0.8
84.39205	0.3
85.02821	1.1
89.02317	1.5
95.01279	0.5
95.04924	0.3
98.20515	0.7
99.04395	1.3
101.02323	1.4
109.06474	0.6
113.02346	1.3
119.03349	0.5
125.02361	0.6
133.57828	0.3
161.04417	0.6
165.12764	1.3
167.10724	0.4
169.01392	0.3
192.28053	0.4
207.13850	3.0
209.11772	4.5
225.14888	5.4
226.15211	0.7
227.12833	30.4
228.13173	1.5
245.01033	0.5
251.12961	1.7
269.13922	8.2
270.14392	0.8
273.00302	2.2
287.14984	100.0
288.15314	8.2
293.13846	0.6
311.15115	0.9
316.02063	0.7
329.15967	2.4
338.49393	0.4
345.34027	0.3
354.11292	0.4
359.16992	0.4
389.18143	1.5
417.97424	0.4
449.07022	0.8
449.20218	4.3
449.31125	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	449.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
55.28259	0.3
57.03326	0.6
59.01250	4.4
61.98704	0.4
63.02271	0.5
65.00197	2.7
71.01248	3.3
71.10751	0.2
71.56512	0.4
72.99155	0.4
73.02819	0.3
75.00728	0.6
80.04922	0.4
82.02892	0.3
83.01277	1.6
85.02811	1.2
87.00759	0.8
89.02311	1.5
94.06504	0.9
95.01252	1.0
95.03651	0.6
96.00783	2.9
96.08057	2.5
96.95917	0.6
97.01566	7.9
98.02365	0.7
98.06010	1.9
100.03907	1.0
101.02309	1.5
106.06516	0.4
106.43571	0.3
107.01266	5.0
108.04406	1.2
109.01588	0.8
109.02846	1.1
109.05212	2.1
110.06024	1.6
111.00784	0.4
113.02333	3.8
118.06549	0.5
119.03379	0.3
120.08068	4.6
122.06003	0.4
123.06767	0.4
124.07567	49.5
125.02316	1.5
125.07914	1.7
126.05489	1.8
132.08087	0.5
133.02873	0.4
134.06041	0.5
135.04408	14.5
136.03935	0.3
136.04817	0.4
136.07555	0.5
137.02361	2.2
137.04720	0.6
138.05511	2.1
139.00226	0.5
145.02838	0.5
146.03217	0.6
147.03239	0.3
151.00266	23.9
152.00597	1.3
155.08929	1.2
158.06038	0.7
160.07556	0.6
161.02356	0.3
161.04475	0.7
162.05524	1.7
163.00331	0.4
163.06325	1.1
164.01047	0.3
165.01801	0.3
168.06599	0.5
169.01337	2.0
173.53271	0.3
174.03212	0.2
176.07059	0.5
177.01778	0.4
178.05045	1.8
178.08601	0.8
178.99796	4.7
189.01926	0.4
190.99692	0.3
192.06602	1.5
193.01364	0.5
199.07927	1.3
200.14355	0.4
208.06007	0.3
231.02826	0.4
232.03378	0.5
243.14975	9.4
244.03270	0.4
244.15329	0.6
245.00891	0.3
249.06094	0.4
258.01495	0.3
259.02219	0.6
261.00430	0.3
271.02457	0.7
272.02826	0.5
273.00540	0.5
273.03223	0.3
274.01306	0.4
283.14435	0.7
285.04095	0.9
286.04373	0.9
287.05600	13.0
287.13989	100.0
288.02332	1.0
288.05881	1.2
288.14316	9.3
289.03247	0.7
301.03445	0.6
301.15549	5.7
302.16245	0.6
315.01578	0.9
316.01978	3.1
317.02982	10.5
318.03357	1.1
329.15021	10.6
330.15353	0.9
389.21912	0.3
436.25238	0.3
449.06268	8.1
449.27652	1.0
450.06671	1.3
474.86887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1852
Annotation	Terpentedienyl diphosphate
Peak:m/z	Relative Intensity
59.01250	22.5
71.01238	0.9
71.56566	1.3
78.95770	2.6
80.02563	0.7
80.56031	0.7
80.96404	0.8
93.03337	5.3
94.03661	0.8
95.04880	0.8
96.95880	1.7
116.49145	0.8
121.02827	3.1
148.08792	1.1
150.10402	0.8
152.99481	1.5
156.90201	0.7
158.84572	3.5
163.11197	1.0
165.12764	15.8
166.13020	0.8
174.99101	2.5
189.97900	1.5
191.14305	1.2
223.99921	1.7
229.00229	1.6
235.99957	1.4
247.20656	7.9
258.04214	1.1
263.02304	4.1
264.03214	1.0
265.03687	0.9
267.99020	1.9
273.18472	3.6
277.03925	1.1
279.09253	1.1
282.00586	1.1
291.05264	0.7
291.16675	1.3
291.19675	15.9
292.19781	1.0
317.02878	1.3
320.09299	11.2
321.10062	2.3
324.05127	0.8
352.08292	13.1
353.08603	1.2
363.17798	0.7
389.16437	41.6
390.16727	5.3
405.19632	1.1
449.18539	100.0
450.04135	1.9
450.18854	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	449.109
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
59.01249	14.0
63.79824	0.5
65.00198	5.9
71.01247	1.9
71.55976	0.7
72.99176	0.5
75.00731	0.5
79.95608	1.6
83.01263	3.4
85.02808	1.1
89.02319	0.7
93.03331	0.7
95.01284	0.7
96.95871	1.8
99.00745	0.8
101.02312	1.2
107.01271	10.9
109.02840	1.6
111.00779	1.2
113.02303	0.8
117.03384	0.7
119.03418	0.6
120.32150	0.5
121.02875	1.4
123.00736	1.6
123.04420	0.7
125.02348	4.4
131.01245	1.0
133.02840	6.9
134.03609	1.5
135.04414	45.3
136.04738	1.8
136.98705	1.0
137.02400	1.1
139.03894	0.7
145.02850	3.5
149.02359	2.5
151.00275	54.5
152.00583	2.5
154.99805	1.2
160.01527	0.7
161.02365	5.8
163.00255	0.8
163.03894	0.6
165.01840	1.4
166.99850	0.5
169.01378	3.2
173.02365	2.4
174.03180	0.5
175.00281	3.6
175.03874	0.6
177.01831	1.2
178.99763	1.1
179.03439	0.6
180.97768	0.8
182.97514	1.8
184.97093	0.8
187.04031	0.7
188.01019	0.6
189.01852	13.1
190.02257	1.1
193.01375	1.5
199.03857	0.5
200.01051	1.0
201.01833	0.7
203.03328	0.7
205.01389	0.8
207.13812	0.7
209.11717	0.8
216.00584	5.7
217.01360	15.3
218.01724	1.0
225.14943	1.3
227.03461	0.6
227.12843	5.3
228.00621	1.6
229.01279	0.8
231.02858	0.6
244.00093	10.7
245.00883	26.2
246.01453	2.4
269.04514	1.3
269.13934	1.8
271.99557	1.9
273.00400	100.0
274.00748	8.3
284.02905	0.5
285.03925	1.4
286.04138	1.1
287.05609	58.8
287.14969	18.1
287.18277	0.8
288.05954	5.1
288.15341	0.6
290.00653	0.8
291.01450	1.6
299.01907	1.1
299.05161	0.6
301.00171	0.7
301.03494	1.2
313.05661	0.7
317.02905	0.6
329.16510	0.5
449.06638	2.6
449.10239	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	449.109
Annotation	Macrocarposide
Peak:m/z	Relative Intensity
57.03351	0.8
57.28393	0.7
59.01254	18.2
61.98693	5.9
65.00188	1.4
69.03317	4.9
71.01254	7.3
73.02820	2.0
78.95782	0.8
79.95644	1.8
80.96390	0.8
81.34140	0.7
83.01255	1.3
85.02831	2.9
87.00790	1.0
87.04366	1.2
89.02315	3.2
92.89998	0.7
93.03321	1.1
95.01254	2.3
96.95914	1.5
98.20656	1.6
99.00745	1.1
101.02322	6.3
107.01273	1.2
108.02065	0.9
109.02853	1.8
111.00800	1.3
113.02332	2.7
115.03888	0.7
117.03346	0.8
119.04908	1.3
121.02849	4.1
123.00822	2.3
123.04427	6.0
125.02323	2.5
133.02834	1.9
135.04477	1.0
137.02374	3.4
143.04900	1.5
145.02869	2.5
151.00275	5.0
156.01154	0.9
161.02377	8.0
161.04437	1.7
162.03107	2.5
163.00261	1.9
163.03963	1.6
165.01884	1.5
169.01329	1.9
169.02798	0.8
171.04497	1.5
173.02440	0.8
175.04001	1.8
176.01001	1.0
177.01857	3.2
178.99792	3.2
179.03339	1.0
185.02434	1.0
188.01076	3.3
189.01826	4.5
190.02562	0.9
191.03471	2.3
191.05347	0.8
192.00476	1.3
193.01328	5.0
197.02394	1.1
198.03108	1.1
199.03929	3.6
201.01883	1.9
201.05559	1.3
203.03458	2.1
205.01357	5.5
206.02002	1.0
213.01889	1.8
213.14934	5.0
214.02623	1.2
214.99797	1.5
215.03529	1.9
216.00571	1.2
217.01352	6.3
219.02962	1.2
220.03699	1.0
221.04521	2.9
227.03448	2.6
229.01379	1.9
229.05058	2.4
232.00122	1.7
233.00880	1.9
233.04472	1.9
235.02454	1.0
239.03383	1.3
239.07175	1.1
241.01428	1.2
242.02167	4.1
242.99437	4.8
243.02985	11.6
243.06616	1.4
245.00951	1.8
251.07088	0.9
255.06763	1.2
257.04645	2.4
259.02527	2.9
261.00409	5.1
261.03922	4.4
264.02740	13.9
265.03452	5.4
267.06717	2.5
268.07407	1.5
269.04559	1.0
269.08224	1.0
270.01740	2.6
271.02454	3.1
271.06171	3.2
275.02020	9.0
275.05453	1.4
276.02664	2.3
277.03574	1.8
280.03766	0.9
283.02600	1.9
283.06030	0.9
285.07629	1.1
287.22345	5.7
288.02713	1.4
289.03415	1.7
293.02924	1.3
295.06122	6.7
296.06870	1.4
297.04138	1.6
297.07486	1.2
299.99313	0.8
301.03519	17.4
302.03918	2.7
311.05783	4.4
312.06281	2.0
316.02313	1.2
317.02954	7.4
317.19702	3.2
321.04221	1.0
323.05936	1.4
327.08804	1.6
339.05093	6.4
340.05960	1.0
343.04816	1.4
344.08932	1.2
345.09552	1.4
355.08322	1.9
356.05600	1.2
371.07590	4.1
372.08197	0.9
399.07297	9.0
400.07703	1.1
401.05142	1.3
417.08353	3.6
431.09818	26.1
431.26212	1.0
432.10181	2.5
449.10983	100.0
449.27820	22.9
450.11243	11.2
450.28604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08431	0.4
56.97909	0.8
59.01248	5.6
65.00210	0.9
66.73381	0.4
71.01263	1.0
79.95620	1.5
82.47795	0.5
86.07689	0.4
89.02334	0.5
95.01268	1.2
97.02843	0.5
98.98997	2.1
101.02338	0.5
107.01266	2.2
108.16193	0.5
108.18311	0.5
123.00747	2.8
124.01584	2.6
125.02353	5.6
126.98499	1.4
135.00732	0.6
136.01569	0.8
137.02357	2.2
139.00294	0.8
142.87134	0.5
144.97879	0.6
148.01521	0.5
151.00276	6.4
152.01051	1.3
161.02364	0.5
163.00243	1.1
164.01042	1.2
165.01817	0.7
166.99739	1.0
168.00597	0.5
169.01357	7.2
173.02342	0.7
175.03880	0.6
178.99797	6.6
182.97505	2.9
187.03906	0.5
189.01804	0.7
193.01253	0.9
199.04034	0.6
200.98566	1.5
203.03467	1.3
205.19737	0.5
211.02554	0.6
214.02646	6.4
215.03368	1.2
217.01421	0.9
227.03427	1.6
231.02870	0.6
242.02187	5.3
243.02850	3.3
244.03632	0.8
245.00916	0.6
259.02429	6.8
260.02747	0.7
269.04559	0.7
270.01651	6.6
271.02469	38.1
272.02841	2.8
273.00388	1.7
287.01956	22.7
287.14804	1.0
288.02570	3.3
299.01926	0.8
300.99832	1.2
313.05563	0.6
315.01599	1.0
316.02225	100.0
317.02859	22.9
318.03305	0.9
333.02548	1.0
350.36227	0.5
388.20908	0.6
392.03897	1.1
396.25763	0.5
408.02399	1.4
408.52588	0.5
449.07190	58.7
450.07507	7.1
470.16684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80147	0.4
63.02267	1.9
65.00189	3.7
69.47252	3.0
83.01260	3.6
87.58620	0.4
104.99507	0.4
107.01276	9.4
107.01958	0.8
109.02851	4.9
124.01571	0.8
125.02340	1.2
135.00812	0.5
136.01567	1.9
137.02347	17.7
138.02727	0.6
150.87698	0.4
151.00278	41.1
152.01048	4.0
161.02400	0.4
163.00253	2.3
164.01062	3.3
165.01830	1.2
169.01347	2.8
173.46201	0.4
178.99785	36.9
180.00214	1.5
190.99847	0.9
192.00549	2.8
193.01358	2.5
209.35089	0.4
227.03450	1.3
232.03748	0.8
236.28874	0.4
243.02975	0.8
245.04559	0.7
256.03262	0.5
259.02426	1.0
271.02539	4.4
272.02850	0.7
273.03143	0.6
287.01929	1.8
288.01959	0.5
289.03525	0.6
299.01889	1.1
300.02560	0.9
301.03278	1.6
302.03494	3.0
303.04019	1.5
306.29855	0.6
316.02240	17.6
317.03003	98.1
318.03351	7.8
449.07190	100.0
450.07541	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	449.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41306	0.3
59.01251	6.1
61.98703	0.3
65.00188	0.9
71.01243	0.9
79.95612	0.9
82.79653	0.2
83.01244	0.7
85.02814	0.5
89.02299	0.3
93.03349	0.4
95.01269	0.3
95.04848	0.3
96.31167	0.3
96.95880	1.0
97.02785	0.4
98.98991	0.4
101.02322	0.6
107.01254	0.7
109.02780	0.3
113.02310	0.3
117.03348	0.8
121.02841	0.6
123.00799	0.4
125.02311	1.0
132.02092	0.4
133.02844	5.5
135.04414	3.8
136.98669	0.4
137.02342	0.3
145.01770	0.4
145.02849	2.9
149.02370	1.7
151.00262	4.2
157.02870	0.3
160.01530	0.4
161.02344	5.6
163.03847	0.7
166.99757	0.4
169.01317	1.1
173.02301	2.1
174.29558	0.3
175.00253	0.3
177.01854	0.5
178.99760	0.4
179.03421	0.6
182.97481	0.8
183.02893	0.4
184.97089	0.5
188.01103	0.4
189.01859	10.1
190.02243	0.8
200.01030	0.4
201.01857	0.6
216.00558	5.8
217.01346	12.2
218.01883	0.9
225.14871	0.7
227.03421	0.4
227.12857	1.6
228.00523	1.0
229.01326	0.8
231.03067	0.3
244.00095	8.9
245.00874	20.9
246.01323	2.5
247.02383	0.7
259.02185	0.3
269.13858	1.0
271.99582	1.2
273.00381	100.0
274.00739	7.6
287.05634	5.3
287.14978	6.0
290.00626	1.6
291.01312	1.3
292.28693	0.3
300.02719	0.3
301.00076	0.3
301.03607	0.8
313.05804	0.3
317.03168	0.3
333.06256	0.4
405.11548	0.6
449.06064	0.5
449.10413	1.1
449.15503	0.4
449.20157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0722
Annotation	Myricetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
54.06788	1.2
55.63517	1.0
59.01255	2.2
63.02255	4.0
65.00191	6.3
69.36147	6.9
69.36557	4.1
80.96360	1.2
83.01254	4.8
93.03347	1.3
94.40543	1.3
95.01251	3.5
96.95921	2.5
106.29830	1.5
107.01264	12.8
108.02062	1.8
109.02830	72.2
110.00016	1.9
110.03136	2.2
111.00722	6.4
112.93639	2.4
121.02840	3.5
123.00748	6.1
124.01511	2.4
125.02332	6.4
135.00760	4.3
137.02330	4.3
139.00262	12.1
139.03925	2.9
149.02336	6.6
151.00269	48.2
152.01054	8.5
153.01871	9.9
159.04395	1.6
161.02216	1.6
163.00281	55.1
164.00887	3.2
166.99760	9.2
169.01329	6.3
171.04393	1.7
173.37184	1.3
175.00217	1.7
175.03920	3.1
177.01852	1.7
178.99786	47.4
180.00095	1.9
183.04353	3.1
187.03961	1.4
189.01840	2.6
190.99820	6.4
193.01233	1.5
194.99216	6.2
199.03960	4.5
201.01805	1.9
201.05460	1.8
203.03391	3.5
206.99312	16.6
208.00005	4.9
211.03966	4.4
213.01912	1.6
213.31284	1.3
215.03400	1.8
217.04973	3.7
227.03474	12.8
231.02896	6.5
241.01448	1.4
242.02153	3.0
243.02960	6.2
245.01012	1.8
245.04507	5.5
255.02925	12.0
270.01767	3.8
271.02448	14.5
272.03207	1.5
273.03949	4.8
288.02679	1.5
289.03479	1.8
298.01114	2.2
299.01938	30.0
300.02222	2.7
314.53995	1.3
316.02139	6.8
317.03000	100.0
318.03403	9.2
403.06686	1.5
421.08170	1.9
431.06201	19.4
432.06485	3.4
449.07227	48.7
449.27814	2.1
450.07764	4.3
452.26886	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	449.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95530	0.6
59.01254	6.0
62.95419	0.5
65.00208	1.2
67.59760	0.6
69.32446	1.3
69.32851	4.5
71.01269	1.6
83.01277	0.8
89.02349	1.4
93.03303	0.8
95.01295	0.8
107.01283	1.9
109.02802	0.8
119.03417	0.8
121.02811	0.6
123.00790	1.9
124.01601	2.2
125.02368	4.1
137.02339	1.3
148.01535	0.9
151.00262	5.1
152.01064	1.4
161.02371	1.4
163.00317	1.6
164.01025	1.5
165.01793	0.8
166.99847	0.9
169.01331	3.2
171.57817	0.7
177.01659	0.8
178.99770	4.6
180.96182	0.7
182.97514	1.2
187.00285	0.6
187.03992	0.8
189.01874	0.8
192.14653	0.6
203.03505	1.6
204.04071	0.9
214.02637	6.8
214.99879	0.7
215.03307	0.8
227.03435	0.9
241.01466	0.6
242.02139	5.1
242.99318	0.8
243.02942	3.7
245.01012	1.1
259.02478	7.4
270.01688	6.1
271.02457	39.1
272.02756	3.2
273.00351	1.5
287.01981	22.7
288.02441	2.3
300.99863	1.1
315.01672	1.0
316.02225	100.0
317.02774	12.5
392.98737	0.9
449.07162	53.8
450.07581	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	447.2599
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01754	1.0
57.03318	1.2
58.00467	1.8
59.01250	31.4
60.01595	0.5
61.98711	0.4
71.01253	17.4
71.57172	0.3
72.01574	0.2
72.99180	2.4
73.02824	1.8
75.00737	0.3
83.01259	2.1
84.02046	0.7
85.02820	4.6
87.00739	1.5
89.02316	13.3
95.01273	1.4
96.95866	0.6
99.00755	0.7
101.02320	10.5
102.02662	0.2
113.02329	5.9
113.09639	0.3
119.03397	4.3
121.02819	0.2
125.02330	0.3
133.02974	0.2
143.03435	0.2
161.04451	0.6
172.58258	0.2
176.32748	0.2
179.05539	0.6
181.15919	1.4
209.18967	0.4
211.13329	0.6
221.19112	1.4
239.20158	3.3
243.03085	0.3
253.21619	0.3
255.02940	0.3
267.19580	1.8
269.21185	0.8
271.02490	0.9
281.21158	0.5
285.20709	38.7
286.21075	3.2
300.02728	1.6
301.03397	0.5
315.01556	0.3
315.05090	0.7
327.05011	0.5
327.21783	0.7
387.20215	0.2
399.56409	0.2
447.25970	100.0
448.26282	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	447.2237
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01747	2.6
57.03323	1.8
58.00474	4.2
59.01249	90.2
60.01578	0.9
61.98705	0.6
69.03322	1.5
69.47349	2.4
69.47774	2.2
71.01252	71.1
72.01577	1.0
72.99188	5.5
73.02818	19.7
74.26295	0.5
75.00741	1.3
78.36189	0.6
79.95619	0.8
81.03309	0.6
83.01254	5.4
85.02822	14.2
85.99989	0.6
87.00759	4.0
89.02314	98.5
90.02663	1.3
95.01267	3.2
97.02827	1.6
98.20538	1.2
99.00751	18.3
101.02319	50.7
102.02637	1.4
107.01242	0.5
111.00740	1.1
113.02332	22.7
114.02620	0.6
115.03883	1.3
119.03387	22.2
125.02360	5.5
131.03404	15.6
143.03395	4.5
149.04463	40.1
150.04788	0.9
151.00246	0.6
161.04454	6.4
165.47751	0.5
167.14365	0.9
179.05536	10.2
180.06546	0.7
183.13831	5.9
188.67627	0.6
191.05553	10.1
193.12213	1.5
211.13333	100.0
212.13643	5.8
221.06567	1.1
231.03015	0.7
233.06575	2.3
243.02991	1.1
251.07646	1.6
253.09253	11.9
255.02916	2.7
258.01556	1.1
259.02243	0.6
270.98682	0.6
270.99493	0.7
271.02460	6.1
277.08157	0.7
285.03979	0.7
286.01190	0.8
287.01715	0.6
293.08972	0.7
299.01895	1.3
300.02695	11.9
301.03317	3.0
315.01398	0.7
315.05081	10.8
315.18100	4.9
316.05450	0.7
327.05154	1.3
392.89029	0.5
403.10397	2.7
429.08334	0.7
447.09213	3.7
447.22061	35.8
448.22498	5.4
448.26663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.75014	0.4
55.01752	1.7
55.85339	0.4
57.03321	1.4
58.00468	4.1
59.01250	81.0
60.01583	1.0
62.75002	0.4
69.03335	1.1
69.39320	1.8
69.39729	0.9
71.01252	61.3
72.01588	0.7
72.99178	3.5
73.02817	15.9
75.00751	0.7
80.49877	0.3
80.87620	0.4
83.01255	2.8
85.02819	10.6
87.00769	2.6
89.02317	100.0
90.02660	1.6
95.01248	2.8
97.02830	1.7
99.00757	24.8
100.01066	0.4
101.02322	42.6
102.02644	1.1
111.00735	0.4
113.02329	15.1
114.02592	0.4
115.03865	1.5
119.03390	17.8
124.36528	0.4
125.02327	3.7
131.03392	17.3
143.03386	3.6
149.04460	45.7
150.04790	1.5
151.00204	0.4
161.04446	3.5
162.04680	0.4
172.25648	0.3
177.01755	0.4
179.05524	5.2
191.05537	11.4
211.13303	1.4
221.06552	1.0
230.02071	0.6
233.06523	1.6
251.07616	2.9
255.02740	0.8
271.02390	1.7
285.03998	0.4
286.01013	0.5
293.08624	0.9
293.44366	0.4
300.02649	3.2
301.03247	0.6
315.01712	0.5
315.05048	2.3
315.17978	1.7
326.64288	0.4
327.04846	0.7
447.04242	0.5
447.08987	1.1
447.21921	18.7
448.22342	3.0
467.13245	0.4
474.45941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06995	0.1
54.18069	0.1
55.01751	0.3
57.03314	0.2
58.00478	0.3
59.01251	7.5
61.98680	0.3
69.03320	0.5
70.39375	0.1
70.92287	0.3
70.92644	0.2
71.01255	4.8
72.99184	0.2
73.02821	0.9
79.60887	0.1
83.01252	0.7
83.04908	0.2
85.02818	1.5
85.99955	0.1
87.00743	0.6
89.02316	3.8
90.02583	0.1
91.03829	0.2
92.62549	0.1
95.01234	0.2
96.95917	0.2
99.00750	0.3
101.02317	4.3
111.00777	0.2
113.02330	2.1
119.03407	1.2
125.02282	0.2
131.03381	0.5
131.04283	0.1
137.09680	0.1
137.13705	0.1
138.64301	0.1
143.03397	0.4
149.04431	0.7
151.00223	0.3
161.02428	0.1
161.04449	1.6
162.04967	0.1
165.12766	0.3
167.14279	0.5
179.05540	0.4
183.13826	6.6
184.14172	0.3
193.12279	1.7
194.12604	0.1
205.01653	0.1
211.13338	100.0
212.13686	6.6
225.14998	0.1
226.11000	0.1
235.08183	0.5
243.02982	0.4
253.09265	12.1
254.09592	0.6
255.02965	0.7
258.01578	0.3
259.02481	0.2
271.02466	1.7
272.02817	0.3
285.03903	0.2
285.12549	0.3
286.01297	0.2
287.02026	0.3
299.01950	0.2
300.02744	3.5
300.06137	0.2
301.03329	0.9
315.01566	0.2
315.05066	2.5
315.18143	0.5
316.05371	0.4
327.05072	0.3
357.06143	0.2
387.20132	0.2
403.10391	0.5
447.04813	0.4
447.09348	0.9
447.22156	1.3
447.26617	0.7
448.05524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00443	0.6
59.01252	100.0
60.01584	0.8
65.80147	0.5
70.38416	2.1
71.01253	14.5
72.96561	0.5
73.02820	3.5
76.67587	0.7
83.01257	1.2
85.02818	5.7
87.00762	0.7
89.02316	11.8
89.02822	0.8
90.75082	0.5
95.01264	1.6
99.00771	1.2
101.02329	10.6
101.03000	0.8
107.01271	1.5
109.02783	0.6
113.02325	6.4
115.00311	0.7
117.03432	0.8
119.03395	5.2
121.02873	1.1
123.00803	1.7
125.02341	3.8
133.01315	0.9
133.02866	2.7
135.04362	0.9
139.00273	0.5
143.03409	1.6
151.00356	0.9
155.03523	0.6
159.02850	0.9
161.02399	1.2
161.04463	4.1
162.65961	0.6
163.03940	0.8
166.99817	1.3
168.00513	0.8
169.01366	5.0
173.02417	0.7
175.03929	0.6
177.01845	1.0
178.35876	0.6
179.05580	2.7
191.03490	0.6
205.01378	0.6
207.13844	1.7
225.14998	2.1
245.00990	0.9
247.02519	0.9
258.01791	1.3
263.70474	0.7
270.99014	1.4
271.99454	0.6
273.00439	1.4
275.02148	0.7
284.03125	1.2
285.04102	1.7
286.01239	1.1
287.02039	2.2
297.03989	2.8
298.04846	1.0
299.05524	3.9
300.99957	3.1
301.03085	0.6
311.05737	0.8
315.01361	3.8
327.05060	13.1
328.05542	1.2
357.06061	3.7
387.20255	32.4
388.20572	3.5
410.82996	0.7
447.04849	1.5
447.10452	4.1
447.23038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83953	0.1
59.01237	0.7
59.11337	0.2
62.96276	1.2
69.47506	1.6
78.95773	45.1
96.95891	0.4
96.96840	3.0
148.99995	20.8
150.00340	0.4
151.01576	0.3
152.99489	0.4
158.92430	1.9
164.55754	0.2
179.01082	3.0
184.68196	0.2
205.15933	1.6
240.96652	0.2
260.40759	0.2
267.11542	0.4
273.00031	0.2
300.02905	0.2
300.21945	0.2
301.03433	0.2
304.47211	0.2
333.06567	0.2
347.08322	0.6
417.12579	1.0
431.10190	3.2
432.10831	0.5
447.13400	100.0
448.13757	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	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43337	0.2
55.01740	0.2
57.03305	0.2
59.01250	4.7
59.98761	0.3
59.99082	0.2
61.98674	0.3
62.84229	0.3
65.00168	0.7
68.99696	0.2
70.70567	0.2
70.70920	0.7
71.01252	3.1
73.02791	0.6
75.73707	0.2
83.01232	0.5
85.02827	1.8
87.00755	0.3
89.02288	0.8
94.04829	0.3
95.01257	0.8
96.95850	0.3
99.00741	0.4
101.02311	1.4
107.01253	0.7
107.71931	0.2
108.02032	1.0
109.02845	1.3
111.00719	0.2
113.02335	1.5
117.03349	28.0
118.03683	1.3
119.01279	0.4
119.03479	0.3
119.04913	7.5
120.05241	0.5
121.02864	1.2
123.00768	4.1
124.01556	11.9
125.02380	2.1
132.02068	0.8
133.02853	1.7
134.03633	0.7
135.00769	0.3
135.04460	0.3
137.02345	0.4
138.03134	1.1
139.00293	0.4
139.03909	5.0
139.11211	0.3
140.04240	0.2
145.02853	100.0
146.03180	5.9
147.00887	0.3
148.01584	0.3
149.02333	0.8
151.00287	3.0
153.01733	0.3
156.13620	0.2
159.04388	0.4
160.01572	3.5
161.02351	1.0
161.04507	0.5
161.06026	0.3
163.00334	1.1
163.03922	6.5
169.01369	0.8
171.04480	0.4
174.03128	1.1
175.03926	4.7
175.05286	0.4
176.04407	0.3
177.01939	0.4
178.99843	1.9
179.03455	0.4
182.97710	0.4
183.04494	0.3
187.03928	0.9
189.01953	0.3
191.03336	0.3
193.05074	0.5
199.03955	0.5
201.01859	0.6
202.02629	1.2
203.03485	0.6
203.07303	0.3
205.01366	0.3
205.05064	0.3
211.04045	0.5
211.13354	2.5
214.02742	0.3
214.99983	0.3
215.03482	0.4
216.00633	0.2
217.01350	0.3
217.05161	0.2
226.02835	0.3
227.03595	1.1
229.01385	0.4
229.05043	0.5
230.02162	1.3
231.02957	0.6
239.03363	0.3
243.02933	1.8
245.00920	0.3
245.04640	0.6
247.02463	0.3
247.06133	0.3
253.09297	0.3
255.02966	5.2
255.05400	0.3
256.03549	0.4
258.01721	2.4
259.02423	0.7
271.02463	8.7
272.03003	0.9
283.02573	0.4
284.03229	1.2
285.03992	5.8
286.01251	3.7
286.04224	0.5
287.01941	2.6
297.04105	1.6
298.04800	0.7
299.02411	0.3
299.05789	0.8
300.02725	11.6
301.00150	0.4
301.03473	9.8
301.06845	0.5
302.04086	0.6
307.08224	12.8
308.08804	1.1
311.05850	0.3
314.00778	0.6
315.01456	2.4
316.01907	0.4
327.05051	5.3
328.05594	0.4
337.09512	0.7
339.05222	0.4
357.06161	2.3
369.06119	0.3
372.08124	0.3
387.20322	0.3
419.06693	1.1
447.06244	3.9
447.13483	28.0
448.06329	0.6
448.08081	0.4
448.13904	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62326	0.7
59.01249	85.3
59.89579	0.7
60.01575	2.3
62.50300	0.8
63.02283	1.1
65.00182	1.9
69.03314	0.8
71.01244	8.1
73.02824	1.1
83.01270	1.9
85.02824	2.5
87.00742	0.9
89.02319	8.2
95.01262	2.1
96.95866	0.9
97.02834	1.1
98.98977	7.3
101.02323	5.8
107.01257	3.4
108.60584	0.8
109.02843	1.4
113.02301	5.0
119.01257	2.7
119.03376	3.1
123.00777	2.5
125.02363	4.1
126.98501	7.9
131.01265	3.3
132.02043	2.1
133.02832	4.2
136.75386	0.9
137.02336	1.1
139.00243	1.0
143.01297	2.7
145.02840	1.3
147.00742	4.0
149.02289	2.4
151.00233	4.9
154.26506	0.8
154.97990	1.6
155.01288	1.7
159.00790	3.7
159.02846	0.9
160.01572	1.7
161.02359	2.0
161.04399	4.0
163.00279	1.9
165.01791	1.1
166.98032	1.1
166.99782	1.3
168.00531	1.3
169.01337	4.6
171.00777	4.6
174.03082	3.1
175.03882	2.8
177.01808	2.5
178.99701	1.1
179.05605	1.9
180.95898	1.3
182.97488	54.9
183.02875	11.2
183.97813	2.1
187.00281	4.7
187.03859	1.4
188.00835	1.2
189.01852	1.1
190.02687	1.2
191.03398	1.7
199.00270	1.5
199.03943	2.6
201.01799	1.8
202.02608	3.5
202.99782	0.8
203.03403	8.7
205.01326	1.0
205.12241	1.0
206.12625	1.1
211.03970	1.6
211.13293	2.6
214.02580	1.4
214.99789	4.3
215.03392	1.9
216.00481	2.6
216.04131	0.9
217.01289	1.1
217.04933	1.2
219.02930	1.2
225.14880	1.9
226.02585	0.9
226.99850	1.7
227.03473	8.9
228.04233	1.0
229.01479	1.1
229.04999	11.9
230.02235	5.3
231.02890	1.2
233.01013	0.8
234.28374	0.8
241.05077	1.5
242.99284	3.9
243.02959	4.2
244.00006	2.0
245.00871	4.8
246.01448	1.0
247.02568	0.8
255.02950	3.4
256.03653	3.1
257.00848	0.8
257.04315	1.0
258.01666	6.4
259.02353	3.0
267.02921	0.9
269.04718	1.3
270.05133	0.9
270.98837	41.1
271.02151	2.1
271.09799	2.5
271.99445	6.9
273.00504	0.9
275.02100	0.8
275.05368	0.9
283.02451	1.1
283.99966	1.3
284.03244	47.7
285.04007	84.8
286.01160	11.9
286.04367	7.3
287.01889	8.2
288.99792	1.9
297.03998	3.1
298.04764	1.4
299.05719	2.6
299.09213	9.1
300.02457	1.0
301.00006	1.3
301.06982	0.8
314.00668	1.5
315.01514	9.3
315.04944	1.6
327.05051	10.7
327.08771	3.1
339.04971	1.4
357.06030	4.5
359.11301	1.9
367.01425	3.8
387.20123	9.8
403.10315	18.9
404.10666	2.4
419.06140	4.2
447.09872	100.0
447.21918	2.1
448.10422	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	8-C-Methylquercetin 3-xyloside
Peak:m/z	Relative Intensity
52.92535	0.6
57.78216	0.6
59.01248	13.3
60.41076	0.5
63.96103	0.8
65.00198	6.8
71.01264	5.3
73.02816	1.0
79.95616	1.4
83.01230	0.8
85.02799	1.4
88.03905	2.1
89.00220	1.6
89.02312	2.1
91.01749	1.5
93.03332	2.3
96.95889	13.0
96.96827	1.0
97.02809	5.6
101.02301	2.3
103.19028	0.6
106.95453	0.6
109.02843	1.4
113.02322	1.5
119.03414	1.1
121.02843	23.6
122.03160	0.7
132.02907	1.3
133.02786	0.8
139.03928	1.1
148.01651	0.5
149.02370	1.4
149.99481	2.0
151.00288	2.9
161.04492	0.9
163.00308	1.0
165.01839	60.5
166.02194	2.2
169.01320	0.8
183.02908	1.1
191.03395	0.6
193.01360	6.9
207.02887	1.0
209.59593	0.6
211.13326	1.2
227.03430	1.2
228.04201	1.5
243.02950	1.0
243.46028	0.6
255.02896	1.8
259.06049	1.2
267.19650	2.1
270.99188	0.9
271.02411	6.8
272.03302	1.5
285.04169	1.4
285.20807	0.8
286.01303	0.9
287.02170	0.8
287.05560	2.2
297.04004	0.7
298.04767	0.9
299.01807	1.4
300.02734	17.8
301.00101	1.0
301.03452	2.5
304.60251	0.7
314.04074	1.0
315.05093	100.0
316.05463	8.9
327.05087	2.1
391.23309	0.7
429.08585	0.8
429.25003	4.9
447.09708	13.9
447.25714	4.5
448.09921	1.7
448.23297	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65145	0.3
57.08103	0.3
59.01249	2.5
63.02250	0.8
65.00179	2.8
65.19158	0.3
66.00515	0.3
67.01737	0.4
68.99678	0.5
69.03292	0.4
71.01253	0.6
75.59596	0.3
81.03268	0.4
83.01221	1.2
83.01698	0.3
85.02803	0.5
89.02292	0.6
93.02807	0.4
93.03331	3.4
95.01250	2.3
97.02758	0.4
101.02299	0.5
102.98429	0.3
107.00633	0.3
107.01273	3.6
108.02014	1.2
109.02831	1.9
109.99994	1.9
111.00753	2.7
117.03383	1.5
121.02839	2.0
123.00799	1.8
124.01503	1.1
125.02321	2.0
130.04129	0.5
131.04890	0.5
132.02051	0.4
133.02789	1.4
135.00714	1.1
135.04369	0.4
136.98654	1.5
137.02274	1.1
137.99413	0.5
139.00279	1.8
143.04890	1.2
145.02902	0.7
147.00693	0.5
148.01520	1.3
149.02263	0.7
151.00262	11.5
152.01064	3.1
153.01836	1.9
155.04874	1.0
156.05573	0.5
157.02757	0.7
157.06461	0.6
158.03627	0.4
159.04370	1.2
159.24216	0.3
161.02307	0.7
161.05927	0.3
163.00282	3.6
164.00992	0.6
165.98996	1.5
166.99663	0.6
167.04855	0.5
169.01256	1.2
169.02663	0.5
171.04424	2.2
173.02319	0.7
173.05969	1.0
174.03110	0.8
175.03958	0.4
178.99765	5.4
181.01311	1.2
182.03610	0.4
183.04414	3.5
184.05040	0.4
185.02435	0.5
185.06059	2.0
187.03932	3.4
189.05438	0.6
192.00636	0.6
193.98505	0.6
198.03070	0.9
199.03960	4.2
200.04594	1.2
201.01851	0.6
201.05481	2.5
202.02597	0.7
203.03433	1.0
206.99275	0.6
210.03047	0.5
211.03938	4.4
211.13304	1.8
212.04283	0.4
213.05438	0.7
214.02585	0.7
215.03485	3.0
216.04073	1.2
217.04900	1.0
226.02684	2.3
227.03442	13.7
228.03969	1.8
229.01373	0.5
229.04961	3.6
230.02100	1.3
231.02902	0.8
239.03423	1.1
240.04100	0.4
243.02953	21.0
244.03548	3.1
245.04556	2.3
254.02171	1.9
255.02962	54.4
256.03415	5.6
257.04541	13.8
258.01660	1.2
258.04831	1.1
259.02356	1.5
271.02463	59.5
272.03116	17.2
273.03946	4.6
283.02444	10.4
284.03079	1.8
285.03998	5.8
285.13245	0.6
286.01187	2.0
286.04184	0.6
287.01910	1.6
299.01947	1.6
300.02722	64.7
301.03488	72.1
302.03839	5.1
315.01514	2.0
315.04770	0.4
327.04727	0.7
403.10266	0.9
429.08270	0.8
432.61722	0.3
436.83600	0.3
447.09427	100.0
448.09760	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12126	0.4
59.01233	0.6
71.35454	0.9
77.03834	0.6
81.03276	0.5
91.24271	0.4
93.03320	0.4
97.02848	0.6
107.01260	1.0
109.02788	2.1
119.04879	0.7
121.02824	1.0
122.08670	0.3
123.00803	0.5
123.04397	0.5
125.02287	1.5
126.98451	0.4
133.02846	11.3
135.04376	1.2
137.02303	0.5
147.04437	1.0
149.02290	1.5
151.00284	0.7
151.03879	0.5
161.02281	1.6
163.00327	1.8
163.03848	2.3
165.01811	1.6
173.02292	0.6
175.03920	3.3
177.01892	0.5
179.03447	0.5
191.03442	2.1
193.01291	1.8
198.03053	0.4
199.03984	1.0
200.98526	0.5
201.01822	1.0
203.03346	0.8
211.03909	0.6
213.05539	0.9
215.03400	0.5
222.74503	0.5
225.05473	0.7
227.03471	0.5
227.06947	0.6
229.05038	0.5
231.06802	0.4
240.04286	0.6
241.05052	0.6
243.03027	0.5
253.05124	1.2
255.02852	0.7
255.06642	0.5
257.04498	0.5
269.04456	1.0
281.04578	0.5
284.03250	9.0
285.04034	7.7
286.04297	0.5
297.04013	18.4
298.04745	10.0
299.05579	21.0
300.05838	1.7
309.04144	0.8
311.05600	3.1
324.02496	0.8
325.03525	1.0
327.05072	100.0
328.05374	10.4
339.05078	4.0
341.06607	1.2
357.06143	27.2
358.06506	3.0
369.06226	2.6
393.06088	1.4
447.09323	18.5
448.09720	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
65.00208	1.3
70.01871	4.4
74.63442	1.1
79.01775	1.5
85.83930	1.0
98.20497	1.5
109.02824	5.3
121.02891	2.7
125.02379	1.8
133.02852	18.4
134.03540	1.3
135.04443	2.5
161.02313	1.7
163.00290	2.8
163.03949	4.1
165.01884	2.2
175.03839	5.4
177.01746	1.9
193.01295	1.7
199.03957	1.8
201.01840	2.6
203.03348	1.3
211.04012	1.9
225.05603	2.0
231.63640	1.3
253.04970	1.8
269.04584	2.4
284.03351	7.3
285.04025	16.9
297.04010	27.5
298.04776	15.3
299.05585	34.2
300.05884	3.2
309.03900	2.1
311.05542	9.0
325.03491	2.3
327.05072	100.0
328.05447	9.3
330.03558	1.7
339.05118	12.6
357.06134	48.7
358.06543	4.4
369.06046	2.6
387.07260	1.3
399.06900	1.3
422.83078	1.1
429.08054	6.6
447.09317	54.2
448.09552	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51763	0.1
70.70518	0.4
80.79113	0.1
82.31297	0.1
107.01245	0.5
108.02020	0.8
135.00734	0.5
139.05389	0.2
145.02853	0.3
148.01532	0.8
151.00262	1.5
153.28079	0.1
155.04868	0.2
163.00308	0.3
164.01027	0.4
183.04466	0.4
187.03857	0.2
187.85947	0.1
192.00523	0.2
199.03862	1.2
200.04314	0.2
203.03419	0.2
211.03938	0.2
211.13240	0.7
215.03458	0.5
216.04137	0.3
226.02696	0.7
227.03436	1.9
229.01277	0.3
243.02953	7.2
244.03406	0.6
254.02179	1.6
255.02951	18.9
256.03259	1.4
263.04541	0.2
271.02457	39.8
272.02878	4.2
294.38373	0.2
296.89420	0.2
299.01947	7.1
299.05347	0.3
300.02719	93.9
301.03082	8.5
314.04272	0.3
315.05081	100.0
316.05405	9.6
357.42569	0.2
363.03323	0.2
399.38739	0.1
432.06857	0.9
447.09299	13.9
448.09589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26139	0.2
56.21130	0.2
56.78591	0.2
59.01115	0.9
59.01445	0.5
59.60349	0.2
63.02168	0.2
65.00057	0.6
65.00426	0.3
69.97950	0.6
71.01156	0.3
75.00651	0.2
83.01147	0.3
87.75313	0.2
101.02217	0.2
101.38856	0.1
107.01097	1.6
107.01860	0.3
121.02645	0.2
125.02181	0.2
132.02000	0.2
133.02841	6.0
134.03027	0.3
135.04245	0.2
145.02690	0.5
149.02324	1.4
151.00259	4.6
151.01369	0.2
163.00139	0.2
171.04321	0.4
174.02911	0.6
175.03908	2.6
177.01756	0.2
178.99672	0.3
179.70277	0.2
185.02220	0.2
185.05849	0.2
187.03859	0.3
198.03094	0.4
199.03920	2.1
201.01883	1.2
202.02444	0.5
203.03241	0.7
205.33940	0.2
205.35840	0.2
211.13138	0.5
213.05397	0.3
215.03473	0.9
217.01337	0.2
217.04958	1.2
223.03786	0.2
227.03296	0.2
230.02060	0.5
231.02840	0.4
241.04956	0.8
242.01851	0.2
243.02954	1.3
255.02940	0.5
256.03693	2.0
257.04471	0.5
258.01709	0.8
259.02365	1.1
271.02426	1.9
284.03256	3.0
285.04022	100.0
286.01160	1.6
286.04373	7.5
287.01971	2.8
300.02762	0.8
301.03577	0.6
314.00613	0.3
315.01465	4.5
316.02130	0.3
317.02914	0.5
327.05042	0.2
336.02386	0.2
353.26492	0.2
387.20358	0.4
419.06580	0.5
447.09723	17.6
448.06696	2.6
448.10760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90046	0.2
53.86092	0.2
53.89750	0.2
55.98656	0.2
56.60677	0.2
59.01247	1.6
63.02264	0.6
65.00194	1.5
69.41333	1.0
69.41759	0.8
71.01264	0.2
83.01271	1.2
84.32758	0.2
90.14548	0.2
91.01775	0.3
93.03316	0.7
94.74152	0.2
107.01270	4.3
108.02080	1.4
109.02827	3.2
110.03159	0.2
119.01257	0.3
121.02837	4.3
123.00802	0.3
124.01558	0.4
125.02296	0.5
135.00714	1.1
139.03891	0.5
145.02933	0.3
148.01541	1.4
149.02405	0.5
149.46465	0.2
151.00272	19.0
152.00795	0.7
159.04419	0.8
161.02420	0.4
163.00272	4.6
164.00967	0.9
165.01813	0.3
167.04895	0.3
169.01357	1.1
171.04524	0.3
173.02382	0.2
173.06096	0.3
175.03862	0.5
178.99779	10.3
180.00128	0.4
183.04362	0.9
185.06020	0.4
187.03891	0.9
189.05495	0.3
190.99762	0.4
192.00546	0.5
198.03134	0.3
199.03941	0.9
201.05469	0.8
203.03400	0.7
211.03894	2.0
212.04630	0.3
213.01813	0.4
215.03455	0.7
216.04050	0.3
226.02682	1.2
227.03439	6.2
228.03975	0.9
229.05037	1.6
239.03500	0.6
240.04160	0.4
243.02946	8.6
244.03461	1.2
245.04491	2.6
246.04912	0.3
254.02133	2.0
255.02951	32.0
256.03381	2.8
257.04343	0.4
266.01984	0.3
271.02457	49.8
272.02902	5.5
273.03998	2.1
283.02454	2.5
284.03247	3.6
285.03934	1.2
286.01025	0.2
299.01907	1.7
300.02719	100.0
301.03464	76.4
302.03854	6.1
315.01517	0.3
327.05038	0.3
343.04327	0.3
372.26367	0.3
447.09293	57.5
448.09634	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17761	0.2
59.01251	2.9
59.32562	0.2
60.01563	0.3
63.02264	0.5
65.00188	0.6
67.10648	0.2
68.49736	0.2
70.71307	0.4
73.60970	0.3
83.01237	0.5
89.02325	0.3
93.03344	0.5
95.01280	0.4
98.98966	0.9
100.36317	0.2
107.01256	0.9
117.03345	0.4
125.02333	0.7
126.98458	0.9
129.98375	0.2
131.01404	0.2
135.00774	0.6
143.04968	0.4
151.00285	2.9
153.01871	0.2
153.25392	0.3
159.04486	0.3
161.02313	0.4
163.00269	1.0
164.01074	0.3
165.01872	0.3
169.01297	0.4
169.06491	0.3
171.04401	0.4
173.05972	0.3
174.03136	0.5
175.04015	0.3
178.99765	0.4
182.03703	0.4
182.97487	5.8
183.02858	1.2
183.04449	1.2
185.02298	0.3
185.05994	0.5
187.03934	0.6
199.03810	0.3
201.05312	0.3
211.03940	2.0
211.13275	0.3
213.05472	0.9
227.03435	76.3
228.03764	5.4
229.04938	1.9
239.03418	0.8
241.04852	0.5
243.02979	0.5
255.02953	100.0
256.03528	15.1
257.04410	2.1
258.01794	0.6
259.02469	0.3
267.02832	0.3
269.04477	0.5
270.98810	0.3
283.02386	0.4
284.03241	86.3
285.03928	26.6
286.01099	0.9
286.04385	1.5
287.01755	0.5
299.05423	0.4
315.01477	0.7
327.05063	1.6
357.05960	0.4
367.01282	0.7
447.09326	98.3
448.09656	11.8
448.16040	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	446.9698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.3
59.01249	13.8
60.01587	0.7
61.98689	0.2
63.02271	0.3
65.00199	1.8
67.07173	0.2
70.99474	0.7
71.01256	2.6
71.56057	0.4
73.02796	0.5
76.12344	0.2
79.95609	0.5
80.97935	0.2
83.01274	0.3
83.04897	0.4
85.02826	1.0
85.52471	0.3
86.98988	0.3
87.00739	0.5
89.02305	1.6
90.02634	0.2
92.99709	0.3
95.01260	1.6
96.95896	0.3
98.98979	14.3
101.02319	1.7
107.01285	0.7
111.00767	0.6
112.93634	0.7
113.02320	0.9
119.03405	0.5
123.00793	0.6
124.01591	0.3
125.02330	1.3
126.98489	12.6
127.98862	0.3
131.03323	0.3
133.02853	0.6
133.05180	0.2
136.96861	0.3
136.98682	0.3
139.00281	0.7
140.01060	0.6
143.03334	0.3
145.02856	0.4
146.03622	0.3
147.04391	0.3
149.02344	0.3
151.00276	0.7
152.96416	1.6
154.97981	4.8
161.02342	0.4
161.04449	1.0
162.04839	0.3
163.00270	0.5
166.99724	0.3
168.00508	1.8
169.01401	1.2
169.02623	0.3
174.03139	1.3
177.01881	0.3
178.99821	0.5
179.05586	0.3
179.14357	0.7
180.95944	5.0
181.12199	0.3
182.97493	100.0
183.02890	18.7
183.10242	0.4
183.13811	0.3
183.97804	3.5
184.03300	0.9
185.02304	0.2
189.01819	0.3
191.03458	0.4
199.03850	0.3
201.01869	0.4
202.02632	0.9
203.03375	0.8
209.11789	2.4
210.12117	3.3
211.13371	2.7
213.02011	0.3
215.03394	0.4
224.09999	0.3
227.03439	7.4
228.03877	0.3
229.01456	0.2
230.02130	1.9
231.02936	0.3
233.00980	0.2
242.99391	0.3
243.02997	0.3
243.12383	0.9
245.00958	0.3
247.02554	0.4
253.09317	0.5
254.09749	0.3
255.02968	9.2
256.03644	1.0
258.01636	2.4
259.02386	0.5
262.98645	0.7
270.98901	0.8
271.02438	0.5
284.03253	7.2
285.03986	3.7
285.12497	0.3
286.01236	4.0
287.01978	2.7
297.04013	0.9
299.05762	0.3
299.99130	0.3
300.02658	0.4
301.00046	0.5
301.03488	0.5
314.00748	0.8
315.01407	3.2
327.05133	2.0
333.02383	0.3
350.97229	0.2
357.06165	0.8
364.99603	1.2
367.01248	10.8
368.01495	1.3
369.05991	0.5
386.18927	0.7
387.20221	0.9
390.02567	0.3
406.00827	0.5
407.01334	0.4
415.03305	0.3
419.06116	1.2
446.96426	0.6
447.05075	5.3
447.09457	8.3
447.22208	0.4
448.05505	0.4
448.10260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08717	0.6
57.03320	18.0
59.01248	100.0
60.01568	1.1
71.01252	6.0
72.35542	0.5
72.35966	0.6
72.99175	0.8
73.02827	1.1
85.02827	1.8
89.02319	4.5
99.00766	1.4
99.04398	2.5
101.02312	3.2
113.02335	3.0
119.03403	2.2
124.15974	0.6
153.09088	1.0
161.04471	1.3
165.01828	0.9
174.50299	0.7
182.97495	1.0
190.20514	0.6
199.82251	0.6
205.85150	0.6
209.11746	1.2
216.00519	0.7
223.13339	87.3
224.13660	6.3
244.00026	1.3
265.14392	1.8
283.09348	0.7
401.08807	2.5
402.10297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
58.00459	0.6
59.01251	100.0
60.01588	0.9
70.39903	0.3
71.01254	11.1
71.36181	0.7
72.99190	0.8
73.02825	0.9
74.11176	0.3
76.54849	0.3
76.98862	0.3
81.58833	0.3
83.01257	0.7
85.02820	2.3
87.00793	0.8
89.02317	13.4
90.16828	0.3
95.01286	1.1
96.02075	0.3
101.02322	5.8
107.04876	0.5
110.02451	0.3
113.02321	4.4
115.43377	0.4
119.03386	6.0
125.02352	0.7
131.03395	0.7
134.28831	0.3
137.09619	0.7
143.03436	0.8
149.04533	0.4
149.05971	0.7
161.04504	1.3
163.11235	1.0
169.01321	0.9
179.05554	1.3
180.02295	0.4
187.11331	0.4
205.12291	6.6
211.00250	0.4
279.19412	0.3
290.92157	0.3
299.99295	0.5
300.99887	0.6
444.34830	0.4
445.21130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17757	0.3
57.03330	0.4
59.01251	100.0
60.01587	1.1
68.96349	0.3
69.25363	2.9
71.01254	7.2
72.99202	0.5
73.02828	0.7
75.00758	0.5
83.01285	0.9
83.04885	0.4
85.02841	1.6
87.00759	1.2
89.02312	9.6
90.02737	0.3
95.01302	0.3
97.87307	0.3
101.02317	5.1
107.01255	0.3
111.00710	0.3
113.02333	3.6
114.02639	0.4
119.03400	5.3
119.04865	0.3
125.02358	0.3
131.03413	0.5
143.03410	1.1
151.00293	1.0
159.02856	0.4
161.02409	0.5
161.04459	2.2
163.03981	0.3
164.30928	0.3
179.05515	2.6
183.04579	0.5
187.11237	1.6
189.01825	0.4
199.03911	0.6
205.12265	2.8
209.11766	4.4
215.03487	0.5
227.03513	0.8
233.11795	0.9
241.01460	0.9
243.03079	0.9
253.09241	0.8
255.03044	0.9
259.13330	0.4
270.01752	0.6
271.02444	3.0
271.04535	0.3
277.14548	1.4
283.02573	0.4
299.01978	6.5
300.02814	1.0
301.03699	1.0
325.09430	0.3
341.03098	2.0
385.18683	2.5
445.08002	1.0
446.08322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89920	1.8
54.56297	1.8
59.01249	100.0
63.84462	1.7
65.97156	1.7
69.23370	18.0
69.23687	2.6
71.01255	30.8
73.02821	5.2
85.02825	8.4
89.02329	19.1
95.01267	2.7
97.02789	2.2
97.21294	1.8
99.00774	2.4
101.02320	14.9
107.18786	1.7
113.02345	18.3
119.03362	5.8
125.90014	1.8
138.06786	9.0
138.92088	1.7
139.07530	3.4
143.03450	3.2
151.07545	11.4
151.13910	1.8
152.08351	16.8
153.09114	50.7
159.02892	2.9
161.04451	28.8
162.04793	2.2
167.07001	1.8
171.78473	2.0
179.05521	5.6
205.12311	19.9
206.45625	2.2
223.13365	29.3
306.81464	1.9
385.18680	41.9
386.18927	5.3
396.05145	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.6
59.01248	100.0
60.01582	1.2
60.71683	0.6
69.24704	1.4
69.25110	5.4
71.01251	18.0
72.99192	1.6
83.04905	2.6
85.02806	3.0
87.00763	0.7
89.02314	28.2
95.01279	1.6
97.01077	1.0
98.99000	0.7
101.02325	9.1
107.01321	1.3
113.02323	8.2
119.01285	0.7
119.03378	10.1
123.00780	1.1
125.02303	3.1
130.00510	0.7
131.03365	1.2
131.55167	0.8
141.00052	1.0
143.03412	2.1
143.04492	0.8
147.00772	1.5
149.04425	1.1
161.04433	3.7
163.00333	0.8
163.03908	0.8
169.01315	2.9
173.02614	4.2
173.99631	0.7
177.01874	0.8
179.03792	0.9
179.05527	13.0
185.99522	1.5
187.00279	0.8
205.12183	0.7
209.08167	0.7
214.99815	1.4
242.99243	1.6
247.02342	1.3
258.98755	1.0
261.00546	0.8
272.08801	1.3
287.86398	0.7
300.99991	2.7
329.70624	0.7
445.04352	2.4
445.14371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0777
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03325	1.0
59.01247	8.3
61.98703	5.8
63.02271	2.1
64.40504	0.4
65.00188	4.1
71.01250	2.9
71.56785	0.4
73.02810	1.3
75.00731	0.6
79.95643	0.4
83.01249	3.6
85.02813	1.4
88.03905	0.5
89.02316	2.6
95.01280	0.6
96.95860	0.4
99.00718	0.4
101.02341	2.1
107.01268	9.0
107.01946	0.7
107.04838	0.4
111.00783	0.5
113.02298	0.9
117.03393	0.4
121.02826	1.5
123.00794	0.4
123.08101	0.6
125.02341	7.2
133.02840	1.1
135.04433	1.3
145.02838	2.4
147.04401	1.7
149.02327	0.7
151.00276	25.5
151.07553	0.7
151.08777	0.4
152.00964	1.3
153.01823	0.6
155.10672	0.6
159.04381	0.6
160.01550	0.5
161.02347	7.4
161.04379	0.7
162.03061	1.2
163.00333	1.1
163.03918	4.3
169.01361	4.6
171.04425	0.5
173.02325	0.8
174.03130	0.6
175.03937	3.7
177.01833	0.7
178.99774	13.6
183.04425	1.0
187.00308	1.3
187.03926	0.7
188.01025	0.5
189.01819	2.9
190.02669	0.5
191.03499	2.4
192.00566	1.3
193.01353	1.0
195.04509	0.6
197.05989	0.7
199.03915	1.2
201.01814	0.7
201.05515	0.6
203.03424	3.1
205.01431	0.5
207.02853	0.6
209.11739	1.1
211.03967	0.9
213.01842	0.6
213.05472	1.1
214.02702	0.5
215.03336	0.6
216.00345	0.5
217.01262	0.9
217.05061	0.5
219.02911	0.8
221.04536	1.2
223.03946	0.6
223.13518	0.5
225.05545	1.0
226.02507	0.5
227.03474	3.3
229.01344	0.8
229.05037	0.9
230.01936	0.4
231.02950	0.7
235.94116	0.4
239.03448	1.2
240.04146	0.6
241.01620	0.6
241.04909	2.0
242.02293	1.0
243.02930	1.2
247.02423	1.0
251.03462	1.7
253.05060	0.6
255.02870	2.3
256.03763	1.0
257.04526	0.6
267.02930	1.5
269.00854	0.7
269.04495	2.1
270.01831	0.5
270.05206	0.5
271.02499	1.3
273.03955	0.5
279.03146	1.3
280.03711	0.9
283.02518	1.2
283.05948	0.5
283.15573	1.0
284.03220	1.0
285.04025	1.8
295.02457	9.7
296.03079	1.9
297.00674	0.8
297.04007	8.4
298.01129	1.1
298.04510	1.1
299.01965	1.1
299.05325	0.5
300.02689	1.8
301.00397	0.5
301.03439	2.2
309.03931	0.9
311.02051	2.4
311.05209	0.5
312.02859	0.7
313.03500	7.2
314.03778	0.9
315.05029	1.0
323.01944	10.1
324.02411	2.0
325.03479	1.0
327.01471	7.5
327.05130	0.9
328.01627	0.9
337.03394	1.1
340.02377	0.6
341.02979	20.8
342.03369	1.8
343.04343	0.7
355.04514	1.7
369.06229	2.6
371.03922	0.8
373.05585	2.1
383.03973	0.7
401.08798	4.4
413.04974	0.6
427.07056	0.5
445.07751	100.0
445.24594	1.7
446.08096	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	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	13.6
61.98699	0.6
70.58896	0.7
70.59238	1.0
71.01255	2.9
73.02816	0.8
74.23142	0.4
75.02237	0.6
79.76955	0.5
80.96385	0.5
85.02819	0.9
89.02306	1.4
91.01749	2.7
93.03331	1.1
95.01228	1.1
95.04934	0.5
96.95878	0.8
97.02865	0.5
101.02319	1.9
107.79356	0.5
109.02827	0.6
113.02325	0.9
115.00232	0.7
119.01260	3.6
119.03403	0.9
121.02790	1.5
123.00745	0.9
125.02309	1.3
133.02846	0.9
137.02347	2.7
145.02878	0.6
147.00772	13.3
153.09151	1.1
159.23149	0.5
161.02289	0.6
161.04446	0.9
163.00247	3.7
164.00998	0.5
165.01837	4.2
165.05460	2.4
169.01299	1.7
173.02402	1.2
174.03148	1.1
175.00275	7.5
176.01051	2.3
177.01797	1.0
187.03914	0.6
189.01874	1.2
190.02588	0.9
190.99774	1.0
192.00531	0.6
201.01802	1.3
202.02629	5.2
202.99785	35.1
204.00154	2.6
206.99307	1.9
208.00076	2.2
209.00880	5.6
209.11714	1.7
217.01418	0.7
218.99287	0.6
221.00867	1.5
223.13268	4.4
227.03296	1.0
229.01396	1.1
230.02162	4.6
232.00041	1.2
233.00879	0.6
241.04895	0.6
245.00926	2.3
246.98802	100.0
247.99178	6.6
255.06616	0.7
259.99600	1.1
269.04501	0.8
269.08191	1.2
273.00336	0.8
274.01154	2.2
283.19061	0.7
292.05765	0.5
297.07642	2.5
298.08398	1.4
325.07129	0.7
329.10303	1.2
357.09790	1.6
373.09152	1.7
385.25891	1.7
401.08691	12.6
402.09167	1.1
444.26797	0.7
445.07816	0.9
445.13434	1.6
445.23941	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	443.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.4
59.01250	14.7
69.03331	3.4
70.83475	0.5
70.83823	1.3
71.01254	28.8
72.99179	9.6
73.02805	0.7
74.02356	0.7
79.04684	0.5
79.49815	0.5
79.95606	0.9
83.01295	0.7
85.02824	13.1
85.03342	0.7
89.02311	1.6
90.93224	0.6
92.71204	0.5
92.92710	0.9
96.95876	1.2
97.02824	1.5
101.02327	1.2
103.91875	0.6
105.98077	0.5
113.02266	0.7
115.00255	10.0
115.76207	0.6
119.08568	1.0
123.00730	0.8
125.02322	2.2
127.11208	1.2
127.97328	0.6
133.01312	3.1
136.92221	0.5
137.09625	5.3
138.38954	0.5
143.33377	0.6
161.04518	0.7
169.01332	2.3
171.10182	43.0
172.10535	1.7
201.11241	1.5
202.81755	0.5
211.13321	1.3
227.13631	0.6
291.19781	1.2
326.48013	0.6
327.21750	100.0
328.22119	9.4
367.12125	0.9
369.70193	0.6
425.21783	4.0
443.22940	5.8
444.23773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23005	0.6
59.01256	6.3
61.98693	0.9
62.08502	0.6
62.14054	0.7
62.67042	0.6
69.03316	2.4
70.21435	0.7
70.86054	1.2
70.86401	1.0
71.01252	34.3
72.01569	0.7
72.99184	12.5
79.95606	1.4
80.38037	0.6
80.96384	2.2
85.02817	0.9
87.00763	1.1
89.02345	1.0
92.95322	0.7
96.95891	9.9
115.00263	24.8
116.00602	1.1
118.94094	1.5
119.08527	4.5
121.02836	0.8
125.02306	0.8
125.09614	2.7
127.11148	2.4
133.01324	15.3
135.08046	1.2
137.09631	16.8
147.00027	0.7
155.10597	0.7
171.10179	69.1
172.10594	3.4
201.11237	15.1
202.11577	1.0
207.10020	1.6
213.11174	1.6
243.19580	0.7
273.18784	1.3
283.06763	0.9
291.19650	2.0
296.41425	0.7
300.99762	0.7
309.20700	7.9
310.21146	0.7
327.21753	100.0
328.22043	9.1
361.14462	6.1
362.14661	1.0
386.21082	0.9
396.67911	0.8
425.21832	3.1
443.02551	0.8
443.11713	1.8
443.17804	3.6
443.22336	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	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61819	1.0
56.17625	0.9
59.01251	68.4
60.01582	1.2
69.03316	12.7
71.01253	5.3
71.04887	26.1
71.05878	2.5
72.05222	1.2
72.99164	1.0
78.71271	1.2
89.02315	3.3
93.97993	0.9
96.95874	1.9
101.02298	3.4
113.02315	2.9
119.03394	3.0
121.02839	11.0
125.02308	2.4
134.03639	4.1
147.00795	1.8
149.09622	3.1
161.02341	3.1
161.04420	1.4
169.01337	3.2
177.09113	6.7
221.08131	100.0
222.08430	7.2
285.03641	1.0
320.15228	1.0
443.21991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.9957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90561	0.6
59.01248	1.1
65.00198	1.8
65.44418	0.6
70.99456	1.7
71.01257	1.4
78.95714	0.6
79.25044	0.5
80.96394	0.7
82.77076	0.6
92.99696	0.7
95.01289	3.1
96.95900	1.8
98.98975	24.1
101.83446	0.6
110.97469	1.7
111.01929	0.5
112.93600	1.1
119.04893	1.7
120.05305	0.6
123.00782	3.3
126.98483	24.7
139.00304	1.3
148.29382	0.6
152.96468	2.9
154.97989	9.7
163.03853	1.4
164.04250	0.7
166.99734	2.0
170.97456	1.5
180.95886	3.3
182.97491	100.0
183.97818	4.0
198.97015	3.0
199.97774	1.2
200.98561	12.5
229.33269	0.6
259.01318	1.2
273.00562	0.6
286.35159	0.7
307.92804	0.6
327.03613	1.0
361.02322	25.3
362.02536	2.1
363.03882	34.3
364.04239	2.9
442.99457	11.2
443.99945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04593	1.0
56.73003	1.1
59.01249	100.0
61.98701	2.2
66.52782	1.2
70.57482	1.7
70.57818	1.4
71.01266	1.8
78.95759	1.1
79.95596	2.6
80.96380	1.0
81.83302	1.0
98.10737	1.1
99.92464	2.1
101.02326	2.0
113.02321	3.0
116.92725	2.5
129.87282	1.0
136.23820	0.9
171.10135	1.1
175.14853	3.4
194.92712	1.9
201.02414	1.4
217.00299	4.7
219.13846	72.7
220.14220	5.1
249.00389	1.0
269.07056	1.4
270.07434	1.4
271.07492	2.1
272.04465	1.0
336.33942	1.1
355.94293	1.0
359.01263	1.8
381.18484	1.3
441.20517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55627	0.7
55.01757	1.7
57.03313	5.0
58.00467	4.9
59.01251	100.0
60.01569	1.2
69.03323	2.1
71.01254	62.9
71.09732	1.9
71.10108	0.7
72.01582	1.5
72.99184	5.8
73.02807	3.8
81.03348	1.7
83.01269	6.1
83.04932	0.8
85.02822	14.7
87.00766	3.3
89.02316	62.7
90.02630	1.3
90.39578	0.8
91.66882	0.9
93.03329	0.7
95.01269	6.1
95.04898	1.7
97.02834	4.6
99.00737	1.9
101.02322	45.1
102.02670	1.4
107.01276	2.2
109.02843	19.6
109.03594	1.3
109.06422	0.8
111.00753	1.5
113.02333	25.7
114.02645	0.8
116.28497	0.9
116.79750	0.9
119.03389	28.5
121.02832	1.3
121.06496	1.3
121.18805	0.9
122.03608	1.4
123.00745	2.5
123.04431	5.1
124.05161	1.4
125.02337	59.9
126.02652	2.2
131.03378	1.7
133.06499	14.5
135.04407	1.6
137.02350	6.1
137.05969	2.1
139.00247	1.7
139.03917	1.6
139.07541	18.2
140.01004	1.1
143.03419	3.6
145.02846	1.9
148.05182	1.2
149.02347	2.4
149.04495	2.0
149.05960	2.8
150.06693	1.1
151.03897	5.1
159.02913	1.4
159.04385	2.5
161.02422	0.9
161.04454	6.6
161.05960	2.7
161.70653	0.8
165.01808	1.9
166.99734	1.8
168.00539	2.9
169.01338	87.4
169.08601	2.0
170.01694	4.0
171.08173	1.1
175.07463	1.0
179.02066	1.0
179.03484	1.2
179.05545	4.4
187.03938	2.0
187.11218	2.8
188.04625	1.2
193.01364	3.9
202.09842	2.1
203.07077	6.1
204.11548	1.9
205.01349	1.2
205.04967	3.6
205.12344	4.4
217.12257	4.8
221.08311	1.0
235.13309	2.6
245.08215	6.5
253.04932	1.1
271.06125	2.8
289.07175	29.6
290.07513	2.8
303.05035	1.3
330.13202	25.9
331.04565	2.1
331.13950	13.3
362.12137	1.2
367.00867	0.9
397.18680	5.4
441.09012	4.3
441.17642	77.4
442.08899	1.0
442.17990	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	441.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11627	1.0
69.91711	5.5
69.92085	2.2
70.44425	1.4
71.01254	6.8
80.19411	1.0
97.06326	1.1
98.20571	1.0
115.00231	7.4
119.04911	60.0
120.05293	0.9
129.72444	1.0
148.14604	1.1
163.03911	100.0
164.04271	3.8
236.03471	1.1
300.62335	1.3
313.06128	1.4
325.09296	16.9
326.09744	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	441.0825
Annotation	Epicatechin-3-gallate
Peak:m/z	Relative Intensity
52.07323	0.7
57.03316	2.4
57.24943	0.6
59.01252	6.8
60.70291	0.6
69.03323	2.6
69.25364	6.4
69.25780	1.6
71.01244	4.3
73.81943	0.6
81.03340	2.1
83.01266	2.4
83.17455	0.6
85.02807	1.1
89.02335	3.7
95.01273	1.7
95.04913	1.4
97.02838	4.7
98.20517	1.8
101.02328	2.2
107.01263	1.8
109.02836	12.5
110.76228	0.6
113.02344	1.3
119.03421	1.6
121.02867	1.4
123.00790	2.3
123.04432	6.5
124.01595	1.0
125.02336	70.7
126.02709	2.4
133.06508	0.9
135.04443	1.1
137.02353	9.2
139.00267	1.7
139.03918	2.0
139.07602	1.0
140.01044	0.9
141.01768	0.8
145.02870	3.0
147.86980	0.7
149.02351	3.3
150.03174	0.7
151.03914	6.2
159.04428	2.4
161.02322	1.0
161.04695	0.9
161.05930	3.5
162.03058	1.1
164.01100	1.5
164.99477	0.7
165.01819	2.8
166.99815	2.0
167.03448	1.1
167.04858	0.7
168.00488	1.7
169.01338	100.0
170.01671	3.2
173.18307	0.7
175.03880	1.3
175.07562	0.9
179.03386	3.1
185.06004	0.9
186.12267	0.8
187.03894	2.0
188.04678	1.9
193.01331	4.4
202.06332	1.8
203.07100	4.6
205.04942	3.4
221.08127	0.8
227.07065	2.0
245.08150	6.7
259.06085	0.9
271.06119	4.0
287.05594	0.7
289.07169	38.5
290.07501	3.2
303.05157	0.8
330.13242	2.1
331.04544	2.6
343.68314	0.9
382.72800	0.9
423.00085	0.9
441.08331	4.2
441.17499	4.7
442.08313	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	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44958	0.3
52.21773	0.3
55.37468	0.3
56.62654	0.3
60.17723	0.4
69.40726	3.4
78.95774	54.6
79.95612	0.5
95.11500	0.3
96.20123	0.4
96.92081	1.2
96.95907	26.5
96.96835	100.0
181.04979	0.4
312.09506	0.4
439.08469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91375	0.8
57.51460	0.8
59.01243	2.0
59.81443	0.9
65.00185	0.9
70.91132	0.9
70.91466	2.4
71.01238	1.7
75.11443	0.9
77.40571	1.0
85.09100	0.9
89.02322	1.1
95.01266	1.6
119.04910	5.1
121.39385	0.8
123.00779	2.3
125.02306	1.7
134.52481	0.8
145.02838	1.4
161.02354	0.9
163.03923	4.1
166.99777	1.2
167.04929	2.1
169.01341	1.8
173.02383	1.4
173.05885	1.1
179.04982	1.1
183.04422	2.6
189.01863	1.2
195.04466	3.2
197.05890	1.6
201.01987	1.1
207.04411	2.4
211.03896	3.9
213.05455	1.3
214.99893	1.1
221.02414	1.6
223.04005	5.0
227.03520	2.2
228.03906	1.2
235.03934	1.6
237.01952	1.4
239.03432	3.7
241.05037	1.8
245.00789	2.2
249.01944	2.0
251.03554	7.1
255.02904	2.7
261.04059	2.2
265.01334	1.9
266.02039	1.8
267.02927	7.6
268.03400	1.2
274.01129	1.1
277.01465	2.3
279.03061	5.9
282.01941	1.1
283.02393	4.3
294.01608	1.3
295.02438	8.3
296.03094	1.7
297.03894	1.9
300.99704	1.7
305.00937	1.1
306.01550	2.1
307.02429	4.7
311.02002	8.5
312.02591	1.5
313.03442	1.7
321.00418	2.5
322.01041	1.6
323.01889	8.9
324.02393	2.1
325.03546	2.5
327.01328	1.2
333.00369	2.7
333.04263	1.1
335.01785	1.6
338.00674	1.1
339.01465	8.7
340.02176	4.0
341.02914	4.0
348.99738	2.4
351.01352	7.7
352.01413	1.0
353.03079	1.8
367.00870	16.5
368.01111	1.1
369.02405	4.1
379.00903	11.0
380.01434	1.8
395.00394	17.5
396.00519	1.7
397.01984	35.0
398.02267	3.2
404.98734	2.0
422.99924	100.0
424.00137	9.7
441.00897	27.8
442.01138	4.0
447.07883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38285	0.7
70.23769	0.7
71.21024	1.5
78.95773	44.4
79.95596	1.8
86.88380	0.6
92.11393	0.8
96.95881	100.0
96.96830	83.1
106.64091	0.6
124.66214	0.8
209.46336	0.7
363.88394	0.8
439.08496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	6.7
55.67968	0.5
57.03326	6.9
58.00470	3.6
59.01249	79.2
60.01581	1.4
61.98700	5.7
68.99696	1.2
69.03326	2.4
69.46449	1.4
69.46868	2.8
71.01251	98.5
72.01607	1.5
72.99171	6.1
73.02816	28.7
74.03169	0.5
75.00755	1.3
78.32543	0.5
79.95583	0.7
81.03341	1.2
83.01255	20.3
84.01579	0.6
85.02819	36.8
85.99973	2.5
86.61396	0.5
87.00747	5.1
87.04383	2.0
89.02316	46.2
90.02700	0.7
95.01276	4.0
96.95885	1.2
97.02828	3.7
99.00750	11.7
101.02320	88.7
102.02649	1.3
111.00752	9.5
113.02325	28.5
115.03904	2.1
119.03394	2.1
121.02817	1.1
125.02343	5.5
126.02721	0.6
128.00960	0.6
129.01855	3.0
131.03389	35.4
132.03697	0.8
137.02135	0.6
141.12810	0.9
141.67876	0.5
143.03413	5.2
149.04465	12.3
159.02901	3.6
161.04457	22.2
162.04820	0.6
173.04379	0.8
191.05539	2.2
205.03520	1.1
209.11757	1.1
215.05591	1.2
233.06644	7.5
266.94394	0.6
287.18576	1.5
293.08789	1.1
305.19672	100.0
306.20010	7.6
349.18747	1.9
375.20480	0.8
379.04330	1.4
437.23886	68.7
438.24231	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09299	0.3
59.01249	100.0
60.01584	0.8
63.72241	0.2
69.23043	0.2
70.92599	0.7
71.01261	1.5
73.02820	0.9
79.27386	0.3
80.96380	1.1
83.01286	0.3
85.02822	0.9
87.04387	37.7
88.04718	0.8
99.00753	0.5
101.02299	1.1
112.93632	0.4
113.02328	0.4
130.33701	0.3
136.01408	0.3
161.04414	1.1
321.16864	0.4
353.86758	0.3
355.15732	0.4
377.21542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.5
67.01740	0.9
69.24527	6.7
71.01246	0.9
74.80195	0.7
79.05602	0.6
90.20449	0.6
93.03349	1.3
95.01257	1.3
96.95876	1.0
97.02798	0.8
98.20576	1.6
107.01260	2.5
108.02125	0.7
109.02818	2.1
119.01254	1.4
123.00761	3.1
123.04311	0.7
124.01553	1.1
125.02323	9.7
135.00771	2.6
136.01523	3.5
137.02330	18.9
140.01103	0.7
145.02876	0.7
147.00783	1.9
148.01552	0.8
151.00331	0.9
151.03906	3.4
153.05411	0.7
161.02341	1.0
163.00305	2.4
163.03970	1.3
164.01067	6.4
165.01834	100.0
166.02193	4.0
166.99803	0.7
169.01335	16.0
170.07307	0.7
177.05498	0.9
179.03410	59.2
180.04185	59.4
181.04936	8.8
182.05711	2.5
189.01834	1.6
191.03491	1.1
193.08646	2.9
194.05757	10.9
195.02882	2.2
195.06548	77.5
196.07207	9.0
197.07996	3.6
210.05260	13.6
210.41435	0.7
211.05663	0.7
211.09697	8.9
217.01285	1.3
225.07628	60.5
226.07945	3.4
245.00874	1.6
247.02402	5.1
261.00290	0.9
273.00385	2.2
291.01477	1.1
300.99792	0.8
301.06927	0.7
331.11847	2.2
340.12323	1.2
343.00909	0.9
347.00204	0.8
347.59329	0.8
358.13754	0.7
359.11316	24.3
360.11719	2.2
362.01025	1.2
362.04938	1.2
374.13635	13.4
375.13928	1.3
389.16031	81.7
390.16342	8.1
437.05078	9.0
438.05362	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	436.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01592	1.6
61.98698	3.6
68.50274	0.4
69.33096	1.6
69.33510	2.9
71.01262	3.5
73.02823	1.4
74.19021	0.5
85.02837	1.1
88.51058	0.5
89.02317	2.6
96.95905	1.2
101.02303	2.6
113.02335	1.0
116.64086	0.4
125.02357	1.1
131.03397	0.8
149.04420	0.6
161.04443	0.7
169.01392	0.6
305.19797	1.6
437.14224	0.5
437.24063	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	436.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.76059	0.3
60.01580	1.6
61.98701	4.1
68.95054	0.4
71.01252	4.2
71.56786	0.5
72.01594	0.4
73.02827	1.1
78.07090	0.3
78.48733	0.4
79.95596	0.5
80.96411	0.5
83.01254	0.5
85.02856	1.3
87.00736	0.4
89.02331	1.5
89.89521	0.4
93.65421	0.4
95.00358	0.4
96.95876	1.0
101.02344	2.8
101.02997	0.4
107.01248	0.4
109.42073	0.4
112.93636	0.7
113.02338	1.5
125.02384	0.9
152.69220	0.4
159.24205	0.4
161.04509	1.2
169.01399	0.9
197.65091	0.4
224.23198	0.4
242.77499	0.4
257.42529	0.4
274.77600	0.4
305.19803	1.7
336.29706	0.4
377.25287	0.9
437.23801	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94436	0.5
55.01758	1.2
56.23219	0.4
57.03326	1.1
58.00466	2.9
59.01248	77.8
60.01591	1.1
61.98716	0.8
69.03329	1.0
69.60847	0.4
71.01251	59.9
71.55915	1.0
72.01587	1.1
72.99181	3.5
73.02818	16.8
75.00724	0.8
78.95779	0.6
79.95606	0.7
83.01254	2.0
85.02821	8.1
87.00750	2.6
89.02314	100.0
90.02658	1.6
95.01285	2.4
96.95931	0.7
97.02836	1.7
99.00753	27.3
99.04455	0.5
100.01098	0.8
101.02322	39.2
102.02667	0.7
113.02324	15.1
114.02701	0.7
115.03920	0.8
119.03384	11.4
125.02339	6.4
131.03387	20.6
132.03796	0.5
143.03387	2.9
149.04457	57.8
150.04813	1.9
161.04465	5.4
169.01343	2.0
179.05544	3.9
191.05525	14.8
192.05943	0.9
213.81943	0.5
221.06564	2.3
233.06480	0.6
251.07657	4.0
293.08749	0.7
303.18030	0.7
311.09888	0.5
318.25967	0.5
359.12415	0.6
435.22226	17.5
435.28146	0.7
436.23062	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01251	1.9
59.09410	0.4
62.57288	0.4
65.00195	0.9
67.77415	0.4
68.99704	0.7
69.03323	1.5
69.35738	0.4
71.01247	1.7
77.35186	0.5
81.03329	9.7
83.01263	3.3
84.63445	0.4
85.02859	0.9
86.25742	0.4
89.02319	0.5
93.03339	5.3
95.01275	1.5
95.04901	10.3
96.95882	0.7
97.02819	4.5
98.19806	1.6
99.04404	4.2
101.02342	0.8
105.03330	0.5
106.61668	0.4
107.01262	1.4
107.04886	0.6
108.02064	0.6
109.02825	0.9
109.06445	0.4
111.04389	0.7
113.02274	0.8
114.01868	0.6
119.04920	7.4
121.02822	1.1
121.06505	0.7
122.03590	0.9
123.00764	0.7
123.03522	0.8
123.04414	14.7
125.02343	21.7
126.02663	0.7
135.04398	1.5
137.02351	3.0
137.05983	11.9
138.06332	0.5
139.03920	3.4
141.05461	0.5
141.18254	0.4
145.06471	0.6
147.04431	1.9
149.02328	0.9
149.05962	0.7
151.00287	4.2
151.03920	5.6
153.05493	0.6
155.03398	0.9
155.07042	0.6
158.06027	1.4
158.78207	0.4
161.02325	0.4
163.03854	0.5
163.07532	0.5
165.01884	0.7
165.05476	7.1
166.02580	0.4
167.03416	47.1
168.03792	2.0
175.03802	0.5
177.05463	0.7
179.03416	7.6
180.04001	0.6
181.04976	2.0
189.05493	4.0
191.03455	0.7
193.01259	0.4
193.04997	1.4
197.04482	3.6
205.01398	0.5
206.99568	0.6
209.04495	14.7
210.05019	1.0
221.04457	2.9
222.04889	0.4
229.08644	0.4
231.06569	0.6
239.05441	1.1
271.09711	0.6
273.07593	8.3
274.08087	1.0
285.07727	1.6
294.26633	0.4
303.05038	2.3
313.06839	0.4
315.08737	100.0
316.09058	7.5
327.08752	1.1
336.61777	0.4
345.09763	24.7
346.10022	2.2
357.09769	1.4
399.10535	0.5
403.03043	0.9
417.11932	1.2
435.07681	0.6
435.13501	5.5
435.21814	2.1
436.13306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	Trilobatin
Peak:m/z	Relative Intensity
51.41721	0.5
55.01766	0.7
57.03310	2.0
59.01248	8.5
59.09585	0.5
65.00177	1.5
67.01747	0.5
71.01247	3.5
71.05122	1.1
75.65800	0.6
78.95770	0.7
79.01758	0.7
79.95573	0.6
80.14928	0.5
80.96391	0.9
81.03323	11.3
83.01244	5.2
85.02817	1.6
89.02303	2.0
93.03328	8.0
95.01241	0.8
95.04922	1.1
96.95885	0.6
99.00692	0.5
99.04362	1.1
101.02322	1.6
107.01256	2.3
111.00756	1.1
113.02316	1.0
119.04914	13.9
120.05241	1.5
121.02788	0.7
123.00790	3.8
123.04409	32.0
124.01570	1.1
125.02332	25.8
126.02648	1.7
135.04395	1.6
139.00269	1.4
140.01038	1.1
141.01817	0.8
147.04340	0.7
149.02322	2.6
151.00259	6.0
151.23775	0.7
158.92902	0.6
163.04008	0.8
166.02576	1.5
166.04980	1.4
166.10974	0.6
167.03407	82.4
168.00523	2.1
168.03766	2.6
169.01338	8.6
169.06451	0.7
170.01660	1.3
170.07088	0.6
171.01749	0.9
171.04341	0.7
179.03413	8.7
182.97261	0.7
189.05504	1.5
191.03371	0.9
229.08719	1.3
252.98465	0.7
255.06406	0.7
259.04333	0.8
273.07675	100.0
274.08011	6.8
286.04056	1.4
287.04410	1.2
288.04773	1.8
289.05170	1.2
314.05896	0.7
315.08774	2.3
345.09979	0.7
360.86560	0.6
435.12717	28.2
435.22235	1.8
436.13074	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	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02249	0.2
55.01751	0.4
56.59655	0.2
57.03344	0.3
59.01248	8.3
61.98700	0.5
65.00171	0.3
67.01760	1.0
68.99691	0.4
69.03316	0.6
71.01250	5.1
72.99181	1.1
73.02809	0.5
73.94593	0.3
74.00077	0.2
79.01763	0.9
83.01260	1.0
85.02824	1.4
87.00738	0.5
88.22771	0.2
89.02297	2.6
91.63308	0.2
95.01260	3.0
96.52863	0.2
97.02815	0.7
99.00738	0.3
101.02323	2.4
106.00491	0.3
107.01276	3.8
109.99973	0.5
111.00760	3.1
113.02311	1.4
114.02612	0.2
119.03400	0.7
123.00765	18.4
124.01647	1.2
125.02336	16.8
125.03084	0.2
126.02696	0.5
127.00209	1.2
133.02669	0.2
135.40678	0.2
136.98706	2.0
137.02390	0.4
139.00267	5.3
139.01334	0.3
140.01067	4.2
141.01849	2.9
142.35384	0.2
149.20322	0.2
151.00273	10.6
151.03877	0.2
153.01822	0.7
154.99799	0.5
163.03865	0.4
165.01831	0.3
167.03456	0.2
168.00563	4.4
168.04195	0.5
169.01337	20.2
170.01669	0.7
179.03392	0.3
181.04881	0.3
192.04198	0.3
198.90807	0.3
203.03409	0.7
209.04422	0.3
211.02429	5.4
212.02760	0.5
223.06113	0.4
225.78162	0.2
259.02484	0.8
271.01904	0.4
271.04611	4.4
285.04086	0.3
287.01959	3.0
291.66623	0.2
302.04309	0.8
313.05701	0.7
316.49561	0.2
435.12921	100.0
436.13281	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	435.0937
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03348	1.0
59.01250	7.8
63.02285	0.8
64.83600	0.7
65.00197	10.4
71.01267	2.4
71.56782	1.4
80.02555	0.7
81.03343	6.0
83.01260	6.0
85.02835	1.2
89.02329	1.7
89.42732	0.7
93.03316	3.8
95.01261	1.4
95.04881	6.1
96.95943	1.7
97.02844	2.6
98.95440	1.3
99.04408	3.2
101.02312	1.4
107.01270	13.5
108.02096	1.0
109.02863	0.9
111.04366	0.7
112.98705	1.0
113.02341	2.1
119.03431	1.1
119.04922	5.2
121.02823	1.5
123.00806	1.3
123.04416	11.4
125.02340	18.7
129.95659	0.8
130.06516	0.8
133.02834	0.8
135.02748	0.8
135.04446	1.2
136.01540	1.3
137.02324	2.2
137.05977	7.4
139.03905	3.0
141.01872	1.6
144.98682	0.7
144.99956	0.9
147.04396	1.0
150.03125	3.0
151.00275	76.1
151.03906	100.0
152.00600	2.9
152.04254	3.5
153.01849	0.8
158.06029	1.1
163.00342	0.9
164.01022	2.5
165.01825	1.5
165.05475	4.9
167.03421	29.3
168.03773	0.9
169.01324	4.6
173.00819	1.3
173.02251	1.0
177.01826	2.1
179.03441	6.0
181.05057	1.1
189.05475	2.0
195.99962	2.0
197.04491	2.4
198.24562	0.7
205.01472	1.0
206.99590	1.7
209.04501	9.9
217.01347	1.3
221.04410	1.7
245.01080	1.5
273.03131	1.1
273.07516	4.2
277.03641	0.9
283.08209	11.1
285.03809	1.4
285.07748	1.3
300.02316	0.8
300.99884	1.0
301.03134	2.0
302.03445	2.6
303.05081	58.0
304.05411	4.9
315.08749	59.2
316.09143	6.1
321.02554	1.0
324.99905	0.9
345.05817	0.8
345.09778	15.9
346.09903	1.3
403.03073	5.7
417.11945	1.5
435.08978	25.5
435.14346	1.7
435.21964	2.8
436.09351	3.3
448.52463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0931
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03305	1.5
59.01247	11.8
63.06339	0.7
65.00193	13.9
67.01760	1.2
68.99689	1.9
69.03335	1.0
69.74372	4.4
70.50604	0.7
71.01257	7.1
79.01763	2.0
80.96378	1.0
83.01255	4.9
83.52515	0.6
85.02796	1.2
89.02322	3.5
91.12563	0.6
91.88924	0.7
92.99712	1.2
93.03336	2.1
95.01259	6.9
96.99187	2.1
97.02832	1.8
99.00754	19.6
101.02305	1.4
106.04151	0.9
107.01264	10.6
108.02040	4.5
109.02854	1.2
109.99979	1.5
111.00765	6.6
113.02296	1.4
117.03336	4.1
119.01329	0.8
119.04903	19.7
121.02836	2.1
123.00761	13.7
123.04381	3.6
124.01544	0.9
125.02333	10.3
130.04117	1.2
131.04919	1.8
133.02838	3.1
134.03627	5.4
135.00809	1.1
135.04419	9.8
136.98692	13.0
139.00255	8.4
140.01045	1.6
141.01833	7.5
143.04918	1.8
145.02829	1.8
147.00758	2.5
147.04422	1.1
149.02287	2.4
149.99460	2.1
150.03093	4.4
151.00266	32.5
151.03883	6.2
152.01053	3.4
153.01826	1.1
157.06441	0.8
159.04507	0.9
161.02342	1.2
163.00316	1.6
164.98201	11.0
165.01759	1.0
165.98914	3.5
166.99767	15.9
168.00577	8.2
169.01295	2.4
171.04411	2.4
173.05998	1.6
174.03195	1.1
175.03885	1.3
176.01190	1.1
177.01859	7.7
178.99750	4.4
182.97472	1.1
185.05949	2.6
187.03932	2.9
189.05431	1.2
190.99771	1.3
192.00546	1.0
193.01256	1.0
194.99249	3.0
195.04463	2.8
197.06027	1.2
199.03951	2.9
201.05437	0.9
202.02541	1.1
203.03415	9.0
211.03949	1.4
213.05484	3.4
215.03526	1.1
215.07155	1.1
217.05000	2.9
223.27347	0.7
227.03474	1.2
229.05045	3.1
239.03394	9.1
240.04202	0.7
241.05016	7.0
242.05405	0.9
243.02940	1.1
245.04620	0.7
255.02852	0.7
257.04572	6.2
259.06100	2.0
267.02939	8.3
268.03815	4.5
268.79645	0.8
269.04471	3.3
271.02469	1.3
275.05563	1.5
284.03122	0.9
285.04019	52.9
286.04364	4.4
293.06445	1.1
299.01984	0.9
300.02826	0.8
302.04266	2.8
303.04959	6.0
309.06232	1.5
313.05627	1.2
335.07718	1.1
417.08441	0.9
435.09283	100.0
436.09662	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	435.0931
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03313	1.7
59.01248	1.6
63.02264	1.1
65.00195	14.3
71.01265	0.6
77.03728	0.4
81.03278	0.4
82.13739	0.5
83.01258	7.3
89.02315	0.6
97.65452	0.5
98.19674	0.3
101.02246	0.4
107.01271	20.9
108.01550	0.4
109.02807	0.8
110.50725	0.4
121.02824	0.7
122.03604	0.5
123.00755	0.5
123.04432	6.0
124.01579	2.4
125.02338	16.1
126.02662	0.7
133.02878	2.8
135.04401	1.8
149.02361	2.1
150.03125	13.8
151.00272	100.0
151.03899	16.8
151.24678	0.4
152.01064	8.0
152.04240	0.5
153.01735	1.0
155.04875	0.5
159.04314	0.6
161.02388	0.5
162.38089	0.4
164.58392	0.4
169.01317	3.4
171.04478	0.6
174.03154	0.7
174.98048	0.4
175.03889	2.9
176.01073	1.0
177.01822	2.9
178.99786	11.5
179.01289	0.9
185.06050	0.8
187.03888	0.6
189.05508	0.9
198.03220	0.5
199.03915	1.7
201.01810	0.6
217.04962	1.3
229.04967	0.6
239.03624	0.4
241.05072	1.5
257.04541	1.4
259.06097	0.9
267.02814	0.6
275.05536	0.7
283.08206	3.4
284.03369	0.6
285.04022	45.4
286.04407	3.9
302.04398	2.0
303.05096	13.3
304.05508	0.7
309.06186	3.0
417.08521	0.8
435.09308	10.6
436.09680	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90918	0.4
57.03323	0.8
59.01249	100.0
60.01597	0.8
60.92212	0.6
63.02264	1.0
65.00197	1.7
68.24249	0.5
71.01248	11.1
71.20468	1.1
73.02814	3.4
75.87708	0.6
79.95621	0.7
80.96387	1.1
83.01252	2.4
85.02822	3.9
87.00766	0.5
89.02320	6.4
93.03329	0.7
95.01261	1.0
96.95878	0.8
97.06459	0.6
99.00745	1.0
101.02325	7.6
107.01269	4.6
112.93622	0.8
113.02320	4.4
119.03418	2.7
121.02884	3.3
123.00745	0.7
125.02362	1.9
139.03914	0.5
143.03386	0.8
145.02885	0.6
149.02432	0.5
149.04492	1.0
151.00266	13.7
151.01498	0.7
152.00688	0.6
161.02361	0.8
161.04434	4.9
169.01350	2.4
178.99780	6.1
179.05490	0.8
189.01881	0.8
197.11861	0.6
257.04361	0.6
261.00424	0.7
271.19220	1.8
273.04092	0.9
300.02707	0.8
301.00272	0.9
301.03510	28.0
302.03894	3.0
373.22281	10.4
374.22604	1.1
433.07474	4.2
433.24081	4.4
433.62518	0.6
434.07794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01244	0.2
59.45245	0.2
62.96292	0.2
78.95777	52.9
80.96400	0.3
96.96844	6.6
107.85957	0.2
146.99359	0.2
150.97949	1.7
152.99493	100.0
153.99831	1.7
171.00563	3.8
179.00557	0.2
222.42566	0.2
229.33820	0.2
279.23312	0.9
289.50476	0.2
320.86520	0.2
326.13101	0.2
433.17523	0.4
433.23538	5.4
434.18420	0.2
434.23679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28238	0.2
59.01247	0.8
78.95770	71.9
79.95614	0.3
80.96413	0.4
96.96832	5.9
98.20547	0.8
150.97865	2.0
152.99480	100.0
153.99828	1.7
158.79605	0.2
171.00555	3.1
189.56842	0.3
261.00436	0.3
279.23193	1.8
338.59668	0.3
433.17767	0.4
433.23563	10.2
434.23889	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	433.2441
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
55.01749	1.2
56.96902	0.3
57.03312	1.4
58.00480	0.5
59.01251	22.9
61.98703	0.4
65.00182	0.7
70.71146	0.9
71.01253	15.6
72.99183	1.5
73.02828	2.5
79.95614	1.0
80.96382	0.7
83.01261	2.7
85.02820	5.5
87.00753	1.1
87.04394	2.3
89.02313	8.1
95.01255	1.2
99.00762	0.9
99.04374	0.3
101.02315	9.3
102.02625	0.5
107.01229	0.7
111.60162	0.3
112.93634	0.6
113.02325	4.4
115.00193	0.4
119.03387	2.1
121.02868	1.0
123.00748	0.4
125.02302	1.1
133.57253	0.3
151.00275	3.4
161.04463	0.9
169.01338	1.2
178.99805	1.7
183.13808	3.1
189.01982	0.4
191.03476	0.6
195.13795	1.2
197.11931	0.5
220.40546	0.4
227.16490	0.5
235.13319	0.4
235.17067	0.5
244.97668	0.4
245.00914	0.4
253.18042	7.0
254.18413	0.7
261.00397	0.5
263.01880	0.7
271.19138	18.8
272.19556	1.5
301.03506	7.7
302.03961	0.5
352.11633	0.3
361.91968	0.4
415.23438	0.6
422.48398	0.3
433.07907	1.5
433.24384	100.0
433.63696	0.5
434.24783	12.3
444.46085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01272	0.4
55.01772	0.4
57.03306	0.7
59.01249	68.6
59.98403	0.6
60.01604	0.5
62.53512	0.4
63.02254	2.8
65.00195	5.7
71.01248	6.2
71.55914	0.9
73.02839	1.4
74.02338	0.9
79.95616	1.9
80.96379	2.5
83.01262	5.2
85.02814	2.4
87.00756	0.6
89.02316	3.0
93.03352	1.4
95.01270	1.1
96.95907	1.5
99.00776	0.7
99.04405	2.0
99.97945	0.5
101.02340	4.5
107.01268	12.1
111.00717	0.4
112.93613	1.9
113.02312	2.9
119.03379	1.1
119.04920	3.7
121.01979	0.5
121.02848	10.1
123.00743	1.1
125.02328	1.8
129.38849	0.4
147.03235	0.4
148.01524	0.5
149.02368	1.5
151.00270	49.4
152.00558	2.1
161.02330	0.8
161.04443	1.4
162.03116	1.1
163.00232	0.8
163.03882	2.6
164.01031	0.6
165.01874	0.5
169.01338	3.9
169.12268	1.5
175.00308	0.7
175.03877	0.6
178.99773	19.9
180.00096	1.3
187.03909	0.6
189.01926	0.5
191.03572	0.7
193.01353	1.4
197.11748	13.5
198.12146	0.8
199.31940	0.4
205.08757	0.5
211.13329	100.0
212.13678	6.2
225.14809	0.8
227.03391	0.7
229.04985	1.0
242.67448	0.5
245.04488	0.9
253.09297	1.4
253.14482	0.7
257.04352	0.9
263.01956	0.7
271.02917	0.9
271.06073	6.8
271.15283	0.7
271.19165	1.6
272.03119	0.6
272.06369	0.9
273.03958	2.7
283.02451	0.6
293.08466	0.5
297.00311	0.7
297.27332	0.5
300.02780	2.1
301.03510	83.0
301.16443	1.1
302.03821	7.5
323.99002	0.6
324.99677	0.6
329.10223	0.7
344.12555	0.5
352.03961	0.5
367.54306	0.4
389.16016	3.1
415.23413	0.6
433.07559	11.2
433.11804	1.3
433.24402	18.8
433.62045	0.9
434.07809	1.3
434.24655	2.3
435.23950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61900	0.4
59.00983	0.7
59.01249	7.3
59.40048	0.5
59.49288	0.4
63.02268	4.6
63.92453	0.4
64.99846	0.7
65.00191	12.6
71.01248	2.6
71.56827	0.8
77.58781	0.4
79.95599	0.8
80.96385	0.9
83.01256	9.3
83.01712	0.8
83.18582	0.4
85.02821	1.1
89.02327	1.9
91.34533	0.5
93.03339	5.5
96.31264	0.5
96.95905	0.7
101.02325	1.8
107.01265	20.4
109.02827	1.0
112.93643	0.5
113.02332	0.6
116.22770	0.4
117.03366	1.3
119.04912	39.0
120.05264	1.7
121.02863	2.3
123.00685	0.5
125.02332	3.6
129.92760	0.5
131.03455	0.5
133.02835	0.5
137.02338	0.8
143.04929	1.7
145.02855	5.5
149.02338	0.9
151.00269	77.2
152.00581	2.7
157.06516	0.9
161.04500	0.7
161.05974	0.8
162.31163	0.4
163.03946	0.7
165.01859	6.3
166.02260	0.5
167.03432	0.5
169.01338	7.6
175.00259	1.3
177.01833	5.5
178.02235	0.5
178.99803	3.8
185.05972	3.1
187.03908	2.8
192.26367	0.5
193.01390	1.2
197.11800	1.9
199.07663	0.5
227.07108	3.3
253.04887	0.7
269.04474	0.8
269.13928	0.8
271.06113	100.0
272.06439	7.8
273.04016	0.5
290.00623	1.0
295.06195	1.3
300.02579	2.1
301.03522	15.6
301.16586	0.6
302.03937	1.7
313.05490	3.9
331.01541	0.5
390.44458	0.5
432.35419	0.4
433.06396	0.9
433.11902	6.6
433.24414	1.7
434.11789	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	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83787	0.5
59.01254	6.5
61.98694	1.4
63.02268	4.2
65.00190	10.4
71.01258	2.0
71.56434	0.9
74.07035	0.4
80.96399	0.8
81.03336	0.6
83.01252	6.6
85.02783	0.4
87.00762	0.5
89.02328	1.3
89.67730	0.5
93.03326	7.8
95.01270	1.2
95.04914	0.5
96.95895	0.6
101.02317	1.3
107.01269	16.7
111.00742	1.4
113.02332	0.9
117.03339	1.5
119.04915	37.2
120.05244	2.2
121.02843	1.4
122.35476	0.5
123.00776	1.3
124.01568	5.9
125.02339	8.8
133.02829	1.0
134.03589	1.3
135.04399	1.4
139.00252	1.4
140.01245	0.5
141.01855	0.6
143.04919	1.0
145.02838	2.8
147.00690	0.5
149.02341	2.0
151.00275	58.6
152.01064	34.0
152.02332	1.0
153.01639	0.8
157.02916	0.7
159.04414	0.8
160.01617	0.6
161.02354	0.7
164.01053	1.1
165.01854	1.9
169.01392	5.9
169.02780	1.0
171.04443	0.7
173.02354	1.8
173.06068	0.7
175.00296	2.0
177.01860	6.6
177.05472	0.8
178.99786	36.5
179.68730	0.5
180.00240	1.0
183.04416	0.8
185.02373	0.7
185.06061	0.9
187.03937	1.3
188.01041	0.7
189.01845	2.4
191.03625	0.6
193.01353	1.5
197.02455	0.6
197.11792	0.9
199.03888	0.9
200.01088	1.3
201.01854	1.6
201.05457	0.9
203.03633	0.5
211.04039	0.9
213.01811	0.5
214.99901	0.7
215.03564	0.7
215.07181	0.9
216.00575	1.5
217.01309	2.2
225.05486	0.7
227.03442	1.8
227.07112	1.0
228.00444	0.5
229.01460	1.2
229.04996	2.5
241.01450	0.7
241.04953	0.7
242.99290	0.8
243.03017	1.0
244.00075	2.6
245.00859	6.9
246.01517	0.7
253.01289	0.8
255.03004	2.4
257.00775	1.0
258.01666	0.5
259.02567	0.8
259.06082	10.2
260.06586	0.7
269.01181	1.3
269.04535	27.2
270.01837	1.0
270.04974	1.8
270.98846	1.7
271.06110	100.0
271.99622	1.9
272.03241	1.4
272.06409	8.8
273.00348	12.0
274.00861	0.9
283.02402	0.8
285.00473	1.0
286.04843	5.0
287.02164	0.9
287.05557	8.4
289.00027	0.7
294.90500	0.5
295.06012	1.5
297.00424	1.3
298.01102	1.6
299.01889	1.0
299.99084	5.1
300.02701	5.1
301.00043	0.7
301.03516	10.6
302.03787	1.1
303.01361	1.2
304.02109	0.7
305.03000	1.6
312.99802	0.8
313.07034	1.8
314.00507	0.7
315.01456	0.7
324.99817	0.8
327.01413	1.7
332.01743	1.5
340.99512	1.7
343.01025	2.3
352.99454	2.0
355.00629	0.7
369.99506	0.9
371.00406	8.6
372.00885	1.2
383.00461	5.8
385.01779	0.9
401.01489	45.4
402.01910	5.0
403.03064	1.4
411.65091	0.6
415.02979	1.7
433.04028	9.9
433.11423	15.8
434.03650	0.7
434.11749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
59.01249	5.4
60.59599	0.3
61.98695	0.4
63.02256	0.3
65.00201	0.6
70.96109	0.4
70.96420	0.3
71.01249	3.0
72.99187	0.4
79.95601	0.3
80.96400	0.5
83.01246	0.8
85.02821	0.8
87.00753	0.5
89.02313	2.8
89.52650	0.3
93.03342	0.5
95.01274	0.5
96.54903	0.2
96.95889	0.3
101.02324	2.0
103.23418	0.3
107.01267	1.9
111.00752	0.3
113.02320	1.2
119.03383	1.1
119.04910	0.4
121.02805	0.3
123.00752	0.4
124.01527	0.5
125.02310	0.7
145.02888	0.3
148.01566	0.5
149.02341	10.2
150.01489	0.3
150.02713	0.6
151.00276	5.9
152.00989	0.8
155.04839	0.3
159.04480	0.4
161.02361	0.6
161.04457	0.7
169.01378	0.6
175.03952	0.4
177.01898	0.5
178.99803	0.6
179.05524	0.4
183.04449	0.8
185.06020	0.4
187.03844	0.6
189.01849	0.5
191.03444	3.1
197.11794	0.8
199.03981	0.4
201.01849	0.4
202.91652	0.3
211.03957	1.0
215.03474	2.2
217.01334	0.7
227.03447	1.5
229.04959	2.4
233.04523	0.8
239.03453	1.3
243.03099	0.9
245.00891	0.5
255.02957	2.4
256.03671	0.6
257.04559	0.8
259.02454	0.5
259.06238	0.3
261.00488	0.6
263.01694	0.4
269.04544	0.6
271.02542	1.8
271.06110	6.0
272.03256	9.1
272.06415	0.7
273.03647	1.3
278.11862	0.3
283.02414	0.8
287.06012	0.3
287.17023	0.3
288.99850	0.4
299.02066	0.6
300.02740	34.7
301.03513	100.0
302.03873	8.8
345.02606	0.4
401.01581	0.4
415.06763	0.3
433.07715	69.0
434.07947	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	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84249	0.2
59.01229	0.8
60.67936	0.3
63.02261	0.7
65.00201	1.4
69.22741	3.2
71.01247	0.4
79.45561	0.3
80.37421	0.2
83.01279	0.7
88.32442	0.3
91.01751	0.5
96.95900	1.4
97.22295	0.3
98.20498	0.6
106.02020	0.3
107.01272	2.6
108.02069	1.5
109.02823	2.0
119.91092	0.3
121.02840	2.0
123.28374	0.3
124.01532	0.5
125.02348	0.4
135.00783	1.3
139.03885	0.3
147.00737	0.4
148.01541	1.6
149.02377	0.5
151.00270	10.6
152.00633	0.3
153.01805	0.5
161.02414	0.4
163.00296	3.2
164.01035	1.3
165.01848	0.4
169.01306	1.0
173.06082	0.3
174.03000	0.4
178.99794	5.2
183.04466	0.6
187.03891	0.6
190.99820	0.4
192.00534	0.6
198.03108	0.5
199.03899	1.2
201.01930	0.4
201.05547	0.6
203.03525	0.5
211.03925	1.6
213.01816	0.4
214.02415	0.4
215.03438	1.0
216.04166	0.9
226.02699	2.6
227.03438	4.4
228.03984	0.4
229.01462	0.3
243.02953	15.1
244.03445	1.2
245.04482	1.5
254.02135	3.1
255.02960	25.3
256.03372	2.3
263.01721	0.4
271.02463	66.9
272.02963	5.7
273.03787	1.5
283.02444	1.3
299.01999	1.7
300.02734	100.0
301.03467	69.8
302.03857	4.6
360.69513	0.3
415.06189	0.4
433.07727	80.0
434.08069	7.9
452.92279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
56.38486	0.2
59.01249	0.4
60.33286	0.1
63.02270	3.0
63.93279	0.1
65.00191	5.2
69.41367	1.4
83.01255	3.9
84.01575	0.2
93.03348	1.1
95.01295	0.2
107.01271	10.8
108.01585	0.4
109.02821	0.5
121.02839	10.2
122.03184	0.3
124.01566	0.3
125.02324	0.4
139.03906	0.5
148.01552	0.3
149.02368	1.2
151.00270	51.8
152.00577	1.6
159.04427	0.3
161.02376	0.3
163.00252	0.6
163.03918	0.5
164.01035	0.7
169.01355	2.4
175.03882	0.3
178.99776	24.3
180.00162	0.7
185.06055	0.2
187.03879	0.4
192.00606	0.3
193.01350	1.0
201.05632	0.3
203.03357	0.2
205.04976	0.4
211.03882	0.6
211.13342	0.5
215.03421	0.3
227.03458	0.5
228.04059	0.2
229.05008	0.8
239.03421	0.2
243.03000	0.3
245.04500	0.7
255.02985	0.4
257.04489	0.6
271.02533	0.4
272.02963	0.3
273.04047	2.7
283.02405	0.2
299.02133	0.4
300.02713	2.3
301.03510	100.0
302.03848	7.3
433.07715	13.6
434.08026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41122	2.5
57.55580	2.6
60.76597	2.7
62.84005	2.5
70.28623	2.9
70.77212	2.8
70.84739	2.9
70.85054	4.8
86.77699	2.5
96.10813	2.5
98.59731	2.4
124.69530	2.5
125.02336	2.3
133.02869	6.9
135.04399	3.4
145.02850	10.1
147.04362	4.9
159.71051	3.3
161.02351	23.6
163.03905	11.2
169.01331	5.4
173.02354	10.9
175.03914	9.9
177.01857	9.5
182.97488	12.5
185.47763	2.5
189.01852	22.6
190.02827	3.1
191.03450	30.5
205.01381	5.5
207.02901	14.8
217.01341	19.1
219.02989	14.5
220.03287	3.5
233.00818	7.8
235.02444	22.3
245.00882	29.1
246.01218	4.8
261.00357	41.8
262.00760	4.5
262.66623	2.7
263.01956	100.0
264.02188	4.1
273.00168	3.0
286.98242	3.7
288.96579	3.6
288.99887	73.7
307.00949	5.5
331.64816	2.6
347.00726	2.8
352.99680	3.7
433.04028	49.5
434.04083	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	433.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54184	1.3
57.64373	1.3
65.03838	1.5
69.03316	1.8
69.50077	10.9
71.01289	1.9
85.02824	7.9
93.03349	1.9
93.49261	1.3
95.01273	3.1
97.02800	1.9
98.19788	2.9
105.03321	3.1
107.04891	2.2
109.92365	1.4
113.02302	2.3
117.03342	8.8
119.04875	6.6
121.02852	1.7
123.00839	1.6
123.04467	2.4
133.02853	14.3
135.04411	11.5
145.02855	27.4
146.03549	1.4
147.04376	10.2
149.02377	3.2
151.03908	2.5
157.02855	2.0
161.02353	60.9
162.02850	2.8
163.03902	16.2
164.01086	2.8
165.01851	2.1
173.02354	16.2
174.03146	4.1
175.03891	19.7
176.01108	2.0
176.04288	1.6
177.01862	18.0
189.01839	38.6
190.02579	6.4
191.03407	51.1
192.00551	2.0
192.03789	2.8
193.01404	2.8
201.01866	3.3
205.01337	11.6
206.02135	5.7
207.02925	19.9
217.01344	30.8
218.01707	1.9
219.02911	22.4
220.03406	1.8
233.00853	13.3
234.01613	4.7
235.02422	16.8
245.00905	28.0
246.01300	1.5
247.02545	1.4
259.99594	1.8
261.00378	66.8
262.00949	9.7
263.01932	100.0
264.02213	7.4
288.99887	61.0
290.00317	5.0
307.00864	2.4
389.05276	2.0
433.04105	58.5
434.04657	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	432.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30721	0.9
57.03295	1.1
59.01250	40.3
60.01580	1.1
61.98690	2.2
69.48421	4.6
69.48843	1.7
70.02872	0.9
71.00887	1.6
71.01249	20.5
76.23874	0.8
79.91638	1.0
85.02813	1.2
87.71310	1.0
88.03909	53.4
89.02309	2.4
95.84790	0.9
96.95863	2.5
96.99200	1.0
101.02306	1.6
115.00253	17.0
125.02280	1.0
125.09656	0.9
132.02910	5.0
133.87451	0.9
145.02805	0.9
152.10709	1.2
156.10155	1.0
161.02287	1.0
170.11769	3.1
180.63652	1.2
191.03380	1.0
218.15503	1.5
221.44135	0.8
228.06677	1.0
236.16516	1.4
237.18483	1.6
238.18076	12.6
239.16365	1.2
241.01395	1.3
242.02155	1.9
242.67319	0.9
252.19360	1.0
254.21217	1.4
255.19612	12.9
256.19159	9.4
257.15076	1.7
257.17548	22.7
258.17902	1.1
285.27405	1.0
286.01089	3.1
287.01785	1.7
298.20163	1.0
299.18524	2.1
301.03586	0.9
316.21280	20.8
317.19568	27.4
318.20010	2.1
326.23334	4.5
328.21317	9.3
329.21591	1.1
370.22281	12.4
388.23422	1.9
414.21100	3.2
432.22324	100.0
433.07858	5.9
433.22693	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03321	3.7
58.00468	1.7
59.01251	75.1
59.24946	0.7
60.01572	0.9
65.00179	1.0
69.51982	5.7
71.01256	20.4
72.99184	1.9
73.02805	2.0
80.96391	0.7
83.01257	2.6
85.02824	8.0
86.96274	0.6
88.98672	1.1
89.02318	12.1
93.03326	2.2
95.01254	1.5
96.95872	1.4
99.00714	0.7
101.02322	12.4
111.00757	0.8
113.02335	7.8
117.03342	1.2
119.03398	5.1
123.00739	1.1
124.72434	0.6
125.02328	2.2
135.00757	1.1
147.00726	1.1
151.00237	1.9
152.01140	0.7
159.04454	1.4
161.02385	1.2
161.04526	0.9
163.00264	1.3
165.01866	1.3
165.12801	1.3
169.01239	1.4
179.05585	0.9
180.31403	0.9
183.04399	1.4
183.10147	4.1
185.05975	1.7
187.03967	1.6
197.05898	1.1
202.99829	1.8
207.13808	2.5
207.84180	0.9
209.11803	4.2
211.03963	2.2
213.05447	1.0
225.14928	0.7
227.03448	34.5
228.03842	1.9
229.04918	5.5
233.11349	0.8
239.03520	1.2
241.01364	1.0
241.05029	1.2
242.02185	1.0
246.98840	4.3
251.12775	1.8
251.16492	1.4
255.02971	47.2
256.03455	6.1
257.04565	3.6
269.13931	14.4
269.17529	2.3
270.01514	0.9
270.14133	0.9
271.02505	1.2
271.99487	1.7
281.04425	3.5
283.05902	1.4
284.03265	39.7
285.04019	64.8
286.04483	6.3
287.02036	2.7
299.05420	1.4
311.05627	2.8
371.20715	2.5
394.75043	0.7
395.30255	0.8
431.10043	36.9
431.22818	100.0
432.10352	5.5
432.23099	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	431.2286
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.1
64.23595	0.3
69.69495	0.7
69.69904	1.7
70.61502	0.3
71.01254	6.9
73.02828	1.1
74.55212	0.3
76.94051	0.3
83.01270	0.8
85.02820	2.6
87.00756	0.6
89.02317	4.9
94.47713	0.4
95.01284	0.4
98.20461	0.4
99.00768	0.8
101.02324	5.0
113.02322	3.3
119.03407	1.8
125.02375	0.6
129.34944	0.3
143.03415	0.5
161.04483	1.9
169.01424	0.7
209.11809	0.5
227.03435	0.5
241.01392	0.4
251.16644	0.5
255.03030	0.9
266.52084	0.4
266.74359	0.4
269.17703	1.3
271.02560	0.4
284.03326	0.5
285.04181	0.9
299.02084	0.4
371.20786	2.7
372.20740	0.6
431.06006	1.0
431.10699	0.6
431.22812	7.4
432.23236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
59.01250	100.0
60.01596	0.5
61.98704	0.3
71.01255	7.1
71.28060	0.6
72.07538	0.3
73.02843	0.4
83.01265	0.3
85.02805	2.4
87.00764	0.5
88.98711	0.3
89.02312	5.0
95.01289	0.8
96.95904	0.6
99.00779	0.4
101.02320	4.5
113.02315	2.6
119.02677	0.3
119.03384	1.8
125.02299	0.6
141.12753	4.5
161.04517	0.9
165.01868	0.4
169.01302	0.7
169.12279	0.7
175.10760	0.3
179.05531	0.5
187.13324	8.7
190.13043	0.3
218.84871	0.4
227.11404	0.5
229.14557	0.4
242.02551	0.3
255.02927	0.4
267.11343	0.4
269.12613	0.6
285.04114	0.5
349.18640	19.5
350.18985	1.7
371.17014	2.4
371.20950	2.1
431.09668	0.5
431.17725	1.2
431.26877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15372	0.3
59.01249	100.0
59.99973	0.3
60.01578	0.8
66.57631	0.3
69.29417	3.2
71.01247	4.0
73.02824	1.3
85.02829	1.4
87.00819	0.4
89.02322	2.4
95.01276	0.4
96.95911	0.7
101.02319	2.8
113.02328	2.3
119.03400	1.2
161.04437	2.6
179.05603	0.3
186.43147	0.3
198.72556	0.3
225.56206	0.4
228.36427	0.4
241.01541	0.3
254.86192	0.3
255.02951	0.6
284.03159	0.4
285.03949	0.5
371.20789	3.7
372.21048	0.3
431.10086	0.4
431.27216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.93480	0.2
56.01657	0.2
62.96267	0.2
70.92213	0.4
78.95774	50.8
83.62885	0.2
96.96837	6.1
150.97932	1.9
152.99486	100.0
153.99829	1.7
165.50139	0.2
171.00546	4.5
277.21759	0.7
431.22003	4.6
432.22504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03321	3.7
58.00468	1.7
59.01251	75.1
59.24946	0.7
60.01572	0.9
65.00179	1.0
69.51982	5.7
71.01256	20.4
72.99184	1.9
73.02805	2.0
80.96391	0.7
83.01257	2.6
85.02824	8.0
86.96274	0.6
88.98672	1.1
89.02318	12.1
93.03326	2.2
95.01254	1.5
96.95872	1.4
99.00714	0.7
101.02322	12.4
111.00757	0.8
113.02335	7.8
117.03342	1.2
119.03398	5.1
123.00739	1.1
124.72434	0.6
125.02328	2.2
135.00757	1.1
147.00726	1.1
151.00237	1.9
152.01140	0.7
159.04454	1.4
161.02385	1.2
161.04526	0.9
163.00264	1.3
165.01866	1.3
165.12801	1.3
169.01239	1.4
179.05585	0.9
180.31403	0.9
183.04399	1.4
183.10147	4.1
185.05975	1.7
187.03967	1.6
197.05898	1.1
202.99829	1.8
207.13808	2.5
207.84180	0.9
209.11803	4.2
211.03963	2.2
213.05447	1.0
225.14928	0.7
227.03448	34.5
228.03842	1.9
229.04918	5.5
233.11349	0.8
239.03520	1.2
241.01364	1.0
241.05029	1.2
242.02185	1.0
246.98840	4.3
251.12775	1.8
251.16492	1.4
255.02971	47.2
256.03455	6.1
257.04565	3.6
269.13931	14.4
269.17529	2.3
270.01514	0.9
270.14133	0.9
271.02505	1.2
271.99487	1.7
281.04425	3.5
283.05902	1.4
284.03265	39.7
285.04019	64.8
286.04483	6.3
287.02036	2.7
299.05420	1.4
311.05627	2.8
371.20715	2.5
394.75043	0.7
395.30255	0.8
431.10043	36.9
431.22818	100.0
432.10352	5.5
432.23099	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
57.95790	0.5
58.00458	0.6
59.01250	48.3
61.98708	0.6
69.38386	2.7
69.38802	1.6
71.01258	6.8
72.99162	0.8
73.02826	2.3
77.75650	0.4
79.05422	0.5
79.95598	0.6
83.01262	2.6
83.04945	0.6
85.02834	2.6
87.00776	0.7
88.98666	0.6
89.02316	4.3
94.88242	0.5
95.01269	0.8
96.95857	0.6
97.06455	0.6
99.00764	0.8
99.04391	2.7
101.02326	4.8
109.06457	1.4
113.02331	3.8
119.03369	1.4
121.06479	0.9
123.00772	0.5
125.02350	1.8
130.41875	0.5
151.00276	1.2
152.01080	0.5
155.91162	0.6
161.04475	1.1
163.07613	0.5
165.12764	6.0
168.84764	0.6
169.01347	0.8
182.05650	0.5
189.12766	1.6
191.10640	0.7
200.24091	0.6
207.13840	11.0
208.14188	0.9
209.11755	10.5
225.14923	3.2
227.03465	6.7
227.05522	1.0
228.03778	0.6
229.04944	0.7
231.13776	1.0
242.02228	0.6
251.12836	6.2
252.13147	1.0
255.02946	7.6
256.03448	1.8
257.04468	0.8
269.13934	100.0
270.01620	1.3
270.14285	8.5
271.02478	0.9
275.12854	0.9
284.03290	7.1
285.04031	10.0
286.04547	0.9
293.13907	1.5
299.02081	1.2
311.05560	1.3
311.14981	1.9
404.06769	0.6
431.10410	6.3
431.18488	1.5
431.23663	4.2
431.77396	0.5
432.10403	1.1
456.23163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79563	2.3
51.29543	2.5
54.27227	2.2
55.01745	3.4
57.03329	2.7
59.01249	31.3
66.75668	2.5
69.18404	2.3
70.79925	7.4
71.01257	50.9
72.99195	5.2
73.02824	11.7
83.01251	5.4
85.02827	14.9
87.00757	3.3
89.02319	26.7
95.01243	4.9
97.02801	4.9
99.00763	6.1
101.02323	35.9
113.02330	27.9
119.03384	10.1
123.00734	4.4
123.08073	3.2
125.02286	7.2
125.05946	3.9
138.06758	10.6
139.07565	5.3
143.03357	4.5
146.03036	2.7
151.07507	14.9
152.08334	24.3
153.09109	70.7
156.66374	2.8
159.02924	6.2
161.04460	50.6
169.01315	5.8
179.05608	6.3
183.85144	3.1
205.12296	34.5
206.20084	2.6
217.01070	3.2
223.13336	49.2
224.13689	2.9
241.29170	2.7
289.49130	2.8
300.99930	4.0
385.18634	100.0
386.18964	11.4
431.19312	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	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02330	0.5
60.99174	12.8
71.55663	0.9
88.98676	100.0
89.02318	2.0
89.99029	1.2
103.21735	0.5
169.01321	0.5
227.73155	0.5
340.58066	0.6
362.26224	0.5
431.02139	0.8
432.00369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68274	0.1
57.03305	0.2
58.00444	0.1
59.01247	5.7
63.02265	0.6
65.00194	0.3
67.01759	0.1
69.56292	1.0
70.12859	0.1
73.02782	0.2
74.87843	0.1
83.01247	0.5
89.02315	0.5
91.01758	0.3
93.03329	1.5
95.01254	0.3
99.04399	0.2
101.02320	0.5
107.01268	2.1
109.02813	0.5
113.02300	0.5
117.03326	0.5
119.01237	0.3
119.03409	0.2
120.02013	0.1
123.00749	0.2
125.02302	0.5
131.04871	0.1
132.02065	0.9
133.02866	0.2
135.00769	1.6
137.02322	0.2
141.06999	0.2
143.04921	0.9
145.02834	0.3
145.06482	0.3
151.00276	1.3
153.01814	0.5
154.04132	0.3
155.04900	0.3
156.05717	0.2
157.02974	0.1
157.06458	0.8
158.03610	0.2
159.04428	1.4
161.02289	0.2
163.00293	2.2
164.00984	0.4
165.01779	0.3
165.12749	0.5
167.04945	0.7
169.01434	0.2
169.06552	0.7
171.04424	0.7
173.02292	0.3
173.06007	0.3
178.99756	0.3
182.03621	0.4
183.04439	1.4
184.05064	0.2
185.02376	0.5
185.06015	2.4
187.03915	2.8
188.04190	0.3
189.05498	1.0
190.99797	0.2
195.04417	0.7
196.04993	0.2
197.05943	0.9
199.03868	1.1
200.04756	0.3
201.05521	0.7
207.13791	1.2
209.00711	0.2
209.11713	0.9
210.03123	0.2
211.03923	3.2
212.04482	0.5
213.05508	1.7
214.02606	0.5
215.03409	0.4
217.05014	0.2
223.03943	0.2
225.15042	0.2
226.02547	0.3
227.03436	52.8
228.03799	5.1
229.05002	11.2
230.05315	0.9
239.03424	1.8
240.04172	0.8
241.04982	1.6
243.02933	0.5
251.12900	0.5
255.02951	73.6
256.03439	10.5
257.04520	5.9
258.04858	0.6
267.02817	0.9
269.04422	0.2
269.13913	10.4
270.14386	0.8
283.02417	0.5
284.03244	59.5
285.03992	100.0
286.04370	9.0
293.13770	0.2
299.05734	0.2
311.15039	0.3
327.05042	0.5
431.09790	54.1
432.10165	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	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.3
60.07780	0.9
63.03678	0.8
69.52373	5.7
71.01247	5.6
73.02832	2.7
79.95618	2.9
80.96406	1.9
83.01261	1.0
85.02833	2.2
89.02313	1.6
95.01234	1.1
96.95896	3.5
96.99207	1.1
97.02834	3.7
101.02335	3.3
108.02040	1.1
109.06504	0.9
111.00809	1.0
113.02316	2.1
119.03440	1.1
119.04913	1.4
121.02800	0.8
123.00777	2.3
123.82035	0.8
124.01615	1.5
125.02297	1.5
125.68358	0.9
136.70978	0.8
137.02397	1.2
145.02864	1.2
147.01016	0.9
148.01619	0.8
149.02374	2.0
150.03174	1.8
153.01828	7.6
159.04425	1.2
161.02382	1.2
161.04546	1.5
161.09680	1.3
163.03938	2.3
165.01857	1.2
166.99774	1.2
168.00499	1.1
169.01338	1.4
170.03778	1.0
173.02361	1.3
174.03166	2.6
175.03888	1.4
175.07599	2.3
177.01891	2.4
181.01340	12.2
182.02109	2.7
183.02931	5.7
185.02374	1.2
189.01875	1.4
190.02589	4.6
193.01328	5.8
198.03223	1.0
199.03935	2.4
200.01132	1.8
200.04749	0.9
200.97121	0.9
201.01894	2.6
202.02615	1.9
203.03456	1.4
203.07062	3.7
205.08635	9.3
207.10298	1.1
209.09796	1.4
209.11694	6.5
211.03995	1.2
213.01933	1.5
214.02687	2.5
215.03354	2.2
216.04343	1.6
216.06303	0.9
218.02216	3.3
221.00905	6.7
221.06123	1.0
221.11824	2.2
222.01482	1.0
225.01999	1.2
225.05624	1.7
225.09271	1.4
227.03383	5.0
228.00551	3.0
229.01463	3.0
230.02065	2.6
231.02914	2.1
235.08163	1.3
237.09389	1.1
239.03474	1.8
239.07080	1.1
240.04276	1.5
241.01440	2.1
241.04961	2.1
242.02170	7.2
243.02867	4.1
244.03818	1.5
245.00902	3.1
246.01781	1.4
247.06168	3.8
249.07666	3.9
251.03561	1.3
253.05048	2.5
254.05974	1.2
255.02904	5.1
255.10361	2.8
256.03589	1.6
257.00967	4.6
258.01645	7.1
259.02460	3.4
263.03497	1.4
265.05145	1.2
265.08716	1.2
266.02335	1.0
267.06586	1.4
269.00787	1.5
270.01761	3.5
271.02509	3.2
271.09695	1.4
272.03229	2.1
273.00320	2.1
274.01184	39.3
275.01642	3.7
279.03152	4.3
280.03741	1.3
281.04605	4.4
281.08304	2.9
282.01825	1.3
282.05316	2.7
283.02573	3.4
283.09738	3.2
284.03226	7.1
285.00507	2.3
285.04089	7.3
286.01291	2.4
287.01993	5.3
288.02744	1.8
293.04367	1.6
293.07834	1.1
294.05167	1.4
295.02411	1.1
297.04150	1.6
298.04675	1.2
299.01978	12.9
299.09238	2.0
300.02707	7.9
301.00006	2.1
303.01520	3.9
304.01849	1.1
308.03354	2.3
309.04062	3.0
309.07724	5.9
310.08279	1.0
311.09100	6.4
312.02621	5.5
313.03229	1.1
322.04834	1.3
323.05890	1.6
325.03476	6.1
326.04306	3.4
327.08701	3.3
328.99341	4.5
329.99985	1.5
337.07251	7.4
338.08023	2.5
340.05557	1.6
341.10266	1.3
355.08221	84.9
356.08578	10.8
369.09796	1.6
371.20514	0.9
373.18735	2.4
387.10867	73.4
388.11200	10.0
399.07187	22.5
399.12125	1.2
400.07690	2.9
431.09924	100.0
431.22446	9.9
432.09848	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	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	1.1
59.46081	0.4
63.11094	0.4
65.00187	1.4
65.03809	0.4
71.01251	1.3
72.63763	0.3
77.03828	3.5
79.01750	2.2
82.39659	0.4
83.01266	0.9
84.10600	0.4
93.03345	2.8
95.01277	0.4
105.03310	1.0
107.01235	1.0
111.25731	0.4
113.02261	0.5
117.03341	16.3
118.03698	0.7
119.04897	1.7
121.02811	3.0
124.02106	0.4
125.02302	1.1
131.04865	0.4
133.02850	0.5
135.00755	0.5
135.04410	1.9
145.02827	0.5
147.04340	0.7
149.02354	1.9
151.00247	0.7
159.04431	3.1
161.02338	7.6
163.00224	2.1
163.03899	4.2
165.01830	3.0
169.06424	0.4
171.04391	0.6
173.02261	0.5
173.05998	0.5
175.00223	1.0
175.03879	0.9
177.01813	0.8
180.05627	0.5
181.06439	0.6
182.03658	0.9
183.04384	2.5
183.08022	1.1
187.00145	0.5
189.01912	0.5
191.03378	1.0
193.01315	0.6
195.08072	0.6
196.05261	1.2
197.05933	1.8
203.03384	0.7
209.05984	0.9
210.06746	1.0
211.07545	1.3
215.07219	0.5
224.04691	1.2
225.05405	1.3
227.03432	0.8
227.07048	0.5
237.05553	1.3
238.06105	0.5
239.07053	3.2
240.04338	0.6
241.05025	0.9
251.07114	0.5
253.04996	2.5
254.05704	1.2
255.06674	0.4
268.03790	3.3
269.04526	9.4
279.06573	0.5
281.04544	13.6
282.05304	9.5
283.06094	64.9
284.06433	5.5
293.04572	1.9
295.06097	8.6
296.06445	0.9
307.06189	0.6
308.03220	1.0
309.03998	1.1
311.05585	100.0
312.05945	9.7
314.04224	2.4
321.04080	0.4
323.05585	11.5
324.05777	1.3
325.06866	0.7
339.05109	0.5
341.06628	35.5
342.06882	3.8
353.06696	2.6
371.07700	0.8
383.07574	0.7
395.07700	0.5
413.08673	3.2
431.09790	59.9
432.10080	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01589	1.1
67.84974	0.4
71.56310	0.4
77.80331	0.4
79.95615	1.1
89.02327	0.9
96.95912	1.3
101.02345	0.4
120.22775	0.4
141.12788	0.6
214.84583	0.6
232.19664	0.5
369.26578	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	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.88675	0.1
58.51346	0.2
59.00985	0.3
59.01250	3.8
63.02267	0.5
65.00188	0.3
69.38643	0.1
70.90121	0.3
70.90471	0.3
83.01261	0.5
84.26132	0.2
89.02300	0.5
91.01749	0.3
93.03329	1.5
101.02334	0.2
102.18039	0.2
107.01275	2.2
109.02822	0.3
110.10622	0.2
113.02385	0.3
117.03322	0.3
122.89292	0.2
123.00684	0.2
125.02333	0.3
132.02097	0.8
132.02954	0.2
135.00780	1.6
141.06982	0.3
143.04927	0.7
145.02858	0.3
145.06470	0.2
145.76265	0.2
147.00778	0.2
151.00288	1.4
153.01817	0.5
154.04173	0.4
155.04880	0.2
156.05702	0.2
157.02841	0.2
157.06540	0.9
158.03601	0.2
159.04430	1.4
163.00291	2.4
164.01010	0.6
165.01791	0.6
165.12697	0.2
167.04918	0.6
169.06493	0.8
171.04462	0.8
172.04909	0.2
173.02336	0.2
178.99768	0.2
182.03568	0.3
183.04446	1.6
184.05173	0.3
185.02458	0.4
185.06017	2.3
186.03111	0.2
187.03894	2.9
188.04230	0.2
189.05447	1.1
195.04468	0.8
196.05185	0.5
197.05980	1.2
198.03154	0.3
199.03925	1.0
200.04749	0.3
201.05481	0.7
207.13805	0.6
209.00803	0.2
209.11809	0.5
211.03912	3.3
212.04582	0.6
213.05495	2.2
214.02538	0.3
214.05937	0.2
215.03508	0.2
223.03903	0.4
225.14973	0.2
227.03442	57.6
228.03822	4.1
229.04996	11.6
230.05388	0.9
239.03395	1.7
240.04092	0.9
241.04993	1.9
243.03008	0.6
251.12917	0.2
255.02959	78.7
256.03519	10.9
257.04507	7.0
258.04865	0.6
267.02917	0.8
268.03540	0.2
269.04343	0.2
269.13913	4.2
270.14365	0.3
283.02481	0.4
284.03250	69.4
285.03998	100.0
286.04370	7.1
327.05029	0.5
431.09796	43.5
432.10172	6.1
432.15750	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80710	0.3
59.01241	0.8
69.92664	1.2
69.93069	0.7
70.28952	0.3
71.01265	0.3
80.96387	0.4
99.92464	5.3
100.92576	0.5
100.93221	2.4
115.91959	100.0
116.91962	5.7
116.92750	6.1
117.92684	0.4
132.92258	0.8
142.94356	0.4
155.95120	0.4
172.95370	5.4
221.08116	2.2
222.08881	0.8
255.23274	1.0
278.57611	0.3
355.16168	0.5
364.87238	0.3
381.17328	0.7
391.56488	0.3
429.19528	4.0
429.26443	3.1
430.19370	0.6
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
50.30516	0.7
54.11237	0.7
58.50030	0.6
59.01250	100.0
60.01586	1.1
65.00183	0.7
71.01251	11.2
72.99176	1.2
73.91360	0.8
85.02840	2.7
87.00757	1.4
88.03947	0.8
89.02315	13.3
94.95338	0.7
96.95859	1.2
98.20589	1.3
99.00783	0.8
101.02325	7.1
103.00191	0.6
113.02337	5.6
119.03397	5.4
123.00838	0.9
125.02339	2.9
129.18796	0.7
130.96286	0.7
131.03439	1.1
134.88669	0.6
143.03378	1.3
158.36813	0.6
159.36623	0.6
161.04535	2.1
163.11229	1.0
169.01334	2.4
170.68472	0.6
179.05573	3.6
191.03442	0.7
214.52638	0.6
275.01944	1.4
312.28702	0.7
385.04926	0.7
399.82306	0.9
429.20282	1.7
430.20911	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.5
71.01254	10.1
71.43715	0.7
72.99181	0.7
73.02847	0.5
85.02827	2.0
89.02315	15.5
91.08551	0.5
95.01255	0.7
101.02321	5.5
113.02328	5.0
119.03389	7.4
131.03403	0.8
137.09608	2.5
143.03394	1.5
148.37546	0.5
149.04454	0.8
161.04480	1.9
171.65692	0.5
179.05519	3.4
198.87744	0.4
376.95856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87856	1.3
59.01250	100.0
69.23090	12.1
71.01246	1.6
78.95773	1.8
89.02326	1.9
91.03869	2.5
95.01203	1.1
96.95876	3.2
113.02231	1.2
152.99448	1.9
195.13914	1.3
261.10016	1.2
295.22800	11.8
423.74689	1.1
446.93979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0826
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
56.34232	0.4
59.01255	3.5
69.36546	4.3
98.20538	1.0
114.68410	0.4
125.02331	1.5
169.01366	2.8
176.01053	0.5
199.03690	0.5
201.01921	0.5
204.00616	0.7
211.03915	0.7
216.00621	0.6
223.16891	0.8
225.05431	1.1
226.02667	0.7
227.03447	4.1
229.01401	0.9
230.99336	1.3
231.99977	1.0
239.03549	0.7
240.04323	0.7
243.02921	0.7
243.99974	0.7
245.00719	0.8
253.01488	0.7
253.04976	1.3
253.08484	0.5
254.02263	1.0
255.02937	4.9
255.06743	0.6
256.03732	0.7
267.02936	0.8
267.15997	1.5
269.00922	5.5
269.04138	0.9
270.01242	0.8
271.02371	0.6
271.99612	0.7
274.01227	0.6
279.03192	0.6
281.01028	1.0
281.04425	0.7
282.01663	1.8
282.04996	0.8
283.02463	2.7
283.05777	0.8
283.99615	1.4
284.03223	3.2
285.00461	1.3
285.04013	2.4
295.02393	1.5
297.00446	2.2
297.04047	3.0
297.07370	0.9
298.00992	2.5
299.02249	1.2
299.05359	0.8
303.01401	0.9
309.00620	0.7
309.04114	1.5
309.07452	0.7
310.04883	0.6
311.01932	3.9
312.02704	1.5
313.03491	0.7
313.07095	0.8
323.02063	0.8
323.99188	4.0
324.99777	2.0
325.03528	11.0
325.07281	1.8
326.03937	1.4
327.01486	4.4
327.05005	1.2
339.01364	0.7
341.06738	1.7
353.03015	16.6
353.06793	2.3
354.03287	1.3
355.08401	0.8
369.06155	6.5
370.06702	1.2
385.09427	0.5
397.05634	44.3
398.05890	5.0
429.08243	100.0
430.08551	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	429.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36683	0.4
57.21995	0.4
59.01253	9.0
71.01250	2.7
71.16953	0.9
72.99167	0.8
73.02821	0.5
79.95626	0.7
83.01274	0.4
85.02810	0.8
89.02314	1.3
95.01283	0.7
96.95897	0.5
97.02814	0.6
101.02323	1.4
101.30722	0.4
107.01242	1.9
108.02102	0.5
112.93613	0.4
113.02327	0.8
119.03387	0.5
123.00771	1.8
125.02336	10.0
137.09637	0.6
139.00232	0.5
145.02853	0.9
147.19872	0.4
151.00262	1.0
151.02448	0.4
161.02248	0.5
168.00591	0.6
169.01344	16.1
170.01646	0.7
177.01878	1.0
183.04514	0.5
198.03241	0.5
199.04021	0.6
204.00671	0.6
211.03999	0.7
212.04558	0.5
213.01884	0.5
214.02780	0.6
224.04764	0.6
225.05490	0.7
225.09175	0.4
226.02646	0.7
227.03462	3.2
228.04094	0.4
229.01257	1.1
230.99301	1.0
231.99992	0.8
233.00845	0.8
239.03499	1.0
240.04103	0.7
241.05173	0.5
242.01941	0.5
244.00146	1.2
245.00867	1.4
253.01489	0.7
253.05084	1.9
254.02184	1.0
254.05670	0.8
255.02971	3.5
255.06815	1.0
255.99989	0.5
257.01065	0.6
267.02982	1.3
267.16116	0.7
268.03662	1.0
269.00897	6.1
269.04181	0.7
269.08362	0.8
270.01437	0.8
270.98743	0.6
271.02356	1.0
271.99652	0.7
273.00391	0.8
273.03979	0.5
279.03055	0.7
280.07263	0.5
281.01068	0.9
281.04517	1.1
281.08069	0.6
282.01666	1.8
282.05118	0.7
283.02457	2.8
283.06036	1.2
283.99878	1.0
284.03204	1.5
285.00452	2.0
285.04099	1.1
287.01727	0.4
295.02530	2.2
295.05984	0.8
296.03116	1.1
296.06592	0.5
297.00406	2.5
297.04007	3.2
297.07684	1.7
298.01163	1.2
299.02069	1.0
299.99197	1.1
300.99805	1.0
303.01563	0.7
309.00668	0.9
309.04068	1.4
309.07489	0.7
310.01395	0.9
310.04590	0.8
311.01962	1.6
311.05362	0.8
312.99908	0.7
322.08759	0.9
323.01956	1.0
323.99103	4.4
324.02399	0.7
324.99738	1.0
325.03522	7.7
325.07205	2.2
326.04004	0.9
327.01425	3.7
327.04913	0.5
338.01053	0.6
341.06644	1.8
353.02975	11.8
353.06903	1.7
353.58905	1.0
354.03317	1.6
369.06119	8.2
370.06491	0.6
397.05627	44.8
398.05612	5.0
399.08609	1.4
399.58633	0.6
429.08261	100.0
430.08557	11.2
451.68164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06876	1.6
59.01251	100.0
60.01573	2.7
62.59294	1.9
70.11902	9.8
71.01210	1.9
78.95771	8.0
79.95611	6.6
81.68419	1.9
82.11382	1.7
90.93239	3.8
96.95898	7.6
96.96815	1.9
98.19887	2.6
152.99483	2.1
186.85498	3.1
186.95482	2.4
246.17345	2.1
252.48366	2.0
290.97086	6.3
293.21246	11.8
344.94733	3.8
359.83459	1.9
391.12399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	1.9
59.01249	100.0
60.01585	1.6
70.05180	1.1
70.05440	4.5
71.01255	27.5
72.99187	2.3
73.02803	1.0
85.02822	4.3
86.29144	0.9
87.00761	1.9
89.02316	46.5
90.02658	1.1
92.27496	1.0
95.01266	2.6
98.20354	1.4
98.98939	1.0
99.04247	1.1
101.02324	9.6
101.76994	0.9
113.02344	11.9
119.03384	14.8
131.03394	2.3
143.03363	3.4
149.04404	1.3
151.00217	1.6
161.04465	4.2
179.05539	12.7
182.97588	1.1
187.11208	20.5
188.11557	1.2
200.05762	1.0
224.26335	1.1
255.02957	1.5
288.12656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01580	0.9
79.95612	0.4
86.99609	0.3
89.56853	0.3
113.02282	0.3
121.02842	42.2
122.03160	1.8
131.15974	0.3
143.73936	0.3
224.06137	0.3
295.27008	0.4
314.99667	1.0
347.02310	0.8
358.76260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49849	0.7
59.01242	1.4
61.98697	2.7
69.03315	0.8
70.31773	0.7
71.56828	1.1
71.57201	0.8
72.97398	3.3
78.95776	1.0
79.95591	2.7
80.96387	35.6
85.01030	0.9
86.80064	0.7
93.03330	0.8
94.92393	1.7
96.95882	2.0
98.98982	1.1
99.00716	0.7
107.04913	1.8
109.01016	1.7
110.98996	1.5
111.02624	1.5
112.93586	1.6
113.04173	1.5
119.04892	0.8
123.99766	0.8
125.00552	2.8
125.22878	0.7
127.02137	0.9
139.02148	1.6
140.01894	1.3
140.02911	18.8
141.03748	3.9
151.02101	1.9
163.11200	0.7
183.04552	0.9
225.16629	0.7
231.09973	1.0
237.09201	1.8
242.09277	1.1
243.10043	4.8
243.17494	2.2
276.08008	12.0
278.09567	5.8
282.12082	0.7
289.18210	1.9
290.97131	1.9
309.20892	1.2
311.16278	22.0
312.16745	2.0
317.15485	1.5
344.94476	1.8
345.15033	100.0
346.15347	9.6
347.16434	1.0
351.12738	0.9
427.12317	21.8
428.12766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06932	1.0
51.35474	1.0
59.01252	2.7
59.56528	0.9
63.72236	1.1
63.96104	3.0
67.05384	3.0
70.17930	5.0
71.04891	8.9
78.95782	2.6
79.95594	6.5
80.96398	2.2
96.95921	2.1
119.37798	1.3
130.08643	14.3
166.36116	1.4
186.14906	6.7
187.08894	1.8
192.32506	1.0
194.11752	1.3
212.12755	1.0
230.13928	100.0
231.14261	7.8
279.59235	1.2
295.22723	1.4
297.98291	1.1
425.15436	1.1
425.23502	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	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.7
71.01253	28.0
71.56647	0.7
72.99186	5.5
75.75754	0.6
78.95767	0.9
79.95635	0.8
83.04885	1.1
92.92667	1.6
95.85719	0.6
99.00735	0.8
106.92714	0.6
111.08057	1.7
115.00263	4.7
120.89613	0.9
127.11135	1.1
133.01299	1.2
141.71971	0.6
144.23782	0.7
151.11208	1.2
153.12753	2.2
155.10622	0.8
165.12740	0.9
167.10667	1.0
169.12245	0.8
179.14265	0.9
181.12244	2.3
197.11722	2.4
199.13391	1.0
207.13805	1.7
215.12820	1.4
228.13672	1.1
247.20671	3.0
265.21674	0.8
273.18713	1.3
291.19659	21.4
292.19897	1.7
307.19037	1.3
309.20703	100.0
310.21027	9.0
319.22934	0.9
344.21255	0.6
389.16666	0.6
407.20871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1819
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
50.96782	3.0
56.64394	2.5
59.01252	12.8
69.85056	9.2
69.85464	5.6
71.01253	12.8
79.28724	3.0
83.01248	2.8
83.04900	6.0
83.08763	2.7
85.02818	5.1
93.03349	2.8
97.02814	10.5
101.02320	5.2
107.04899	4.6
108.05701	8.9
109.02818	5.9
109.06475	4.5
110.64545	2.5
111.04395	8.7
112.93612	3.5
113.02309	6.4
113.05968	13.5
119.04919	8.1
121.06497	3.6
122.03588	10.3
123.08044	11.5
125.02332	3.4
125.05965	18.9
136.05161	13.8
137.05951	8.5
138.06784	17.4
139.07558	37.1
148.05211	6.4
149.05966	5.6
151.07549	73.6
152.04697	9.7
152.08340	43.8
153.09111	21.1
161.09644	7.2
163.03772	3.4
163.07555	10.3
167.06998	2.7
169.01254	3.4
185.09737	3.1
189.09250	3.3
191.03584	3.2
201.12749	24.9
203.10703	14.5
204.11501	46.6
205.11813	3.1
219.13844	78.9
220.14075	7.5
243.13789	4.7
245.11844	13.1
263.12878	100.0
264.13171	8.7
287.12848	9.3
299.99072	4.4
305.13766	3.3
393.37131	2.8
425.01257	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	423.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79952	0.5
55.88414	0.5
59.01248	4.7
66.56475	0.5
69.03324	14.1
79.95604	25.8
80.96391	1.4
83.04895	1.1
84.02029	3.0
86.50846	0.5
95.10644	0.5
96.95898	1.1
97.02819	2.7
99.04422	0.5
108.05737	0.8
114.93244	0.5
119.08541	2.4
125.09615	4.8
127.11177	1.4
135.07990	0.9
137.09615	24.4
138.09956	1.0
155.98695	0.5
165.08878	3.7
167.10432	1.1
171.10184	27.6
172.10478	1.7
191.06860	1.5
193.08385	100.0
194.08737	4.9
201.11218	0.7
209.07961	2.8
211.06459	0.6
211.08244	2.1
253.09242	1.8
331.17902	8.0
332.17899	1.5
341.23294	33.1
342.23715	4.3
363.21487	20.6
364.21967	2.3
375.13577	0.5
407.20178	0.9
423.00436	0.6
423.22369	6.6
424.12531	8.5
424.22443	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	423.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78493	0.8
53.20688	0.8
59.01254	14.7
62.82412	0.8
69.03320	3.9
71.01237	1.1
71.56721	1.0
71.57209	1.5
79.95612	1.8
80.45279	0.7
80.96378	5.1
81.48224	0.7
81.95171	0.8
82.95968	2.3
83.04887	1.7
83.05962	0.8
84.02041	8.9
95.04905	6.1
96.95902	2.5
97.02821	9.9
97.06476	15.4
98.06818	1.0
99.04412	2.0
99.92484	1.6
112.93618	2.4
125.09605	4.1
127.11198	0.9
137.09589	1.7
165.12718	1.4
171.10188	21.2
172.10487	1.3
175.11165	1.4
185.11751	1.1
189.05304	1.0
193.08412	25.9
193.12245	15.9
194.08803	1.0
197.11679	1.0
203.10625	0.8
211.13371	2.9
215.10439	9.3
220.93517	0.8
221.11600	0.9
225.14922	20.7
226.15204	1.6
231.09868	0.8
232.10689	4.5
233.11566	7.8
243.15988	8.5
247.09378	1.0
247.13072	3.3
253.14418	1.3
259.09448	2.9
261.09015	1.3
264.09781	29.7
265.10175	2.2
265.14212	1.8
279.12302	8.0
291.19720	1.3
293.13654	1.1
305.17386	1.3
309.13174	5.4
331.17892	1.6
339.16406	0.9
341.23300	100.0
342.23657	10.1
345.20538	3.7
363.20590	18.1
364.20773	3.5
407.20520	2.9
423.23627	6.3
424.24026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.9
57.03322	4.7
58.00479	1.4
59.01249	45.0
61.98712	1.3
67.01761	0.7
69.03325	1.8
71.01252	64.4
71.56286	1.1
72.01588	0.9
72.99183	3.1
73.02820	33.1
74.03146	1.0
75.00753	2.4
79.95622	0.8
80.96394	6.6
81.03360	0.9
83.01252	13.3
85.02824	32.6
85.99976	1.7
87.00768	3.5
88.03909	0.8
89.02327	12.8
89.02837	1.3
95.01272	4.2
96.95910	3.0
97.02779	3.4
99.00755	14.0
99.04418	0.8
99.91586	0.8
101.02322	62.5
102.02663	1.2
107.01244	0.7
111.00785	2.3
113.02328	23.6
115.03925	1.7
119.03385	1.2
125.02350	5.7
129.01839	2.0
131.03415	2.8
141.01854	0.6
143.03415	2.3
144.14751	0.7
149.04495	1.6
159.02896	3.9
161.04462	22.4
163.63120	0.8
166.01256	0.7
169.01201	1.0
185.38263	0.8
202.00858	1.2
205.03470	1.5
233.06770	3.9
259.56354	0.7
282.83255	0.8
283.67819	0.8
291.18134	100.0
292.18466	7.8
293.08765	1.1
304.03061	0.7
321.43875	0.7
335.17194	1.2
396.06927	0.8
407.26407	1.0
423.00021	1.6
423.16275	2.7
423.22308	85.8
424.22714	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	423.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42363	0.7
57.26500	0.6
59.01246	4.5
62.20598	0.6
62.25810	0.6
69.03326	5.7
70.46362	1.8
70.46777	1.0
71.01231	0.8
73.86871	0.6
78.95755	0.9
80.96408	0.8
81.44093	0.6
83.04903	0.9
96.95908	0.9
97.02834	3.9
110.72334	0.7
119.08552	5.0
123.08002	0.7
125.09609	4.8
127.11167	1.2
134.96852	0.6
135.08060	1.3
137.09621	27.4
138.09966	1.4
139.37178	0.6
144.79445	0.6
146.93767	1.1
165.08897	3.0
171.10179	22.7
172.10501	1.1
184.57211	0.6
191.06892	1.2
193.08388	100.0
194.08688	6.2
201.11266	5.8
209.07898	1.8
211.07959	0.6
241.09293	2.2
253.09357	0.7
265.29620	0.6
273.18323	0.7
291.19696	1.6
309.20789	5.7
331.18121	8.9
332.18393	1.1
341.23318	10.8
342.23538	1.0
391.19794	0.7
423.15237	2.0
423.22357	3.9
424.22440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39334	0.6
53.53421	0.5
55.01751	6.5
56.58491	0.5
57.03315	5.3
58.00473	3.5
59.01250	81.4
60.01597	0.8
61.98693	1.7
68.99701	0.7
69.03319	1.8
70.59303	0.5
70.87126	1.5
71.01253	95.6
72.01591	1.5
72.99179	7.2
73.02818	27.5
74.03158	0.5
74.22855	0.5
75.00749	1.6
78.95792	0.7
79.95612	0.7
80.96406	0.8
81.03339	1.1
83.01257	18.4
84.02031	0.7
84.85452	0.5
85.02821	37.3
85.99969	2.7
86.03170	0.8
87.00755	5.3
89.02316	42.1
90.02655	1.3
95.01269	3.7
96.95901	3.0
97.02816	3.6
99.00759	10.9
101.02322	84.7
102.02667	2.3
111.00761	8.7
111.04466	0.5
113.02325	28.0
114.02657	1.3
115.03897	2.2
119.03417	2.0
125.02332	5.4
127.11207	0.8
129.01839	2.5
131.03394	31.7
132.03734	0.8
143.03404	5.3
149.04457	11.9
151.34282	0.6
159.02922	4.4
161.04466	21.4
161.05821	1.1
173.04482	0.8
191.05588	1.3
199.13379	1.0
205.03423	1.0
215.05507	1.3
233.06638	6.5
259.73022	0.6
273.17096	1.0
291.18137	100.0
292.18439	8.7
314.06149	0.8
315.06177	1.9
333.90436	0.5
335.17194	1.2
423.22342	68.9
424.22742	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	6.5
57.03320	5.4
58.00462	1.9
59.01251	39.0
63.47802	0.5
63.66788	0.4
63.92149	0.5
65.97716	0.5
69.03342	1.7
71.01253	69.0
71.05600	0.5
71.05937	1.0
72.01591	1.5
72.99194	2.7
73.02819	38.1
74.03162	0.7
75.00744	1.9
79.95615	0.5
81.03326	0.9
81.42914	0.5
83.01255	16.1
85.02822	35.0
85.99972	2.5
86.03185	0.7
87.00742	4.6
89.02316	12.2
95.01254	5.3
96.95907	1.5
97.02811	3.2
99.00755	15.4
99.04384	0.9
99.11168	0.5
101.02321	70.9
102.02659	1.8
104.67988	0.5
108.38837	0.6
111.00763	2.1
113.02329	26.6
114.02723	0.6
115.03890	2.4
125.02328	5.1
127.11172	0.9
129.01826	2.2
131.03384	3.3
142.98515	0.5
143.03397	3.5
149.04428	1.4
159.02911	5.8
161.04469	26.1
162.04814	1.2
167.49686	0.5
169.01253	0.6
171.13776	0.7
191.05547	1.3
199.13356	0.7
205.03508	1.2
233.06557	3.3
291.18134	100.0
292.18488	7.9
293.09015	0.8
335.17084	0.9
423.22321	84.1
424.22632	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61738	0.6
55.01756	6.3
57.03318	4.3
58.00467	2.1
58.43622	0.5
59.01251	39.0
66.31247	0.5
69.03322	2.0
69.73185	0.9
69.73603	2.8
71.01252	60.2
72.01598	0.8
72.99204	2.9
73.02819	32.1
74.03160	1.1
75.00743	2.4
83.01257	14.5
85.02821	31.8
85.99986	2.3
87.00753	3.7
89.02319	14.0
94.30399	0.6
95.01255	5.3
96.95908	0.8
97.02835	2.4
98.19881	1.3
99.00755	12.3
99.01341	1.0
100.01060	0.6
101.02321	69.6
102.02670	1.3
111.00766	2.5
113.02331	22.1
114.25905	0.6
115.03913	1.7
119.03348	1.3
125.02342	4.2
127.11163	0.9
129.01799	1.3
130.31766	0.6
131.03404	4.2
143.03407	2.8
149.04445	2.2
159.02913	4.3
161.04465	22.9
162.04884	0.6
162.18326	0.6
163.66638	0.6
176.12244	0.6
188.49344	0.6
191.05467	0.7
199.13385	1.1
205.03477	1.3
215.24283	0.7
233.06581	2.4
237.95303	0.7
254.18309	0.6
265.73294	0.7
291.18137	100.0
292.18475	8.0
293.08875	1.2
335.17126	1.3
355.99277	0.6
364.58807	0.6
393.04025	0.6
422.99762	1.4
423.22330	85.2
424.14240	0.7
424.22675	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42998	0.3
50.68488	0.4
55.01759	5.0
56.14672	0.3
57.03321	4.0
58.00459	1.8
59.01249	35.9
60.01600	0.5
65.90215	0.4
68.99666	0.5
69.03330	1.8
71.01249	59.8
71.96591	0.4
72.01587	0.6
72.99191	2.8
73.02817	28.9
75.00745	1.9
79.95619	0.5
81.03304	0.6
83.01254	12.9
85.02821	29.2
85.99969	1.6
86.03162	0.7
86.16766	0.3
87.00751	4.3
89.02318	13.3
95.01248	4.3
96.95860	0.9
97.02842	3.1
99.00749	12.8
99.04355	0.3
101.02319	63.2
102.02660	1.1
103.03880	0.8
111.00758	2.3
113.02325	22.2
114.02641	0.7
115.03884	2.0
119.03387	1.3
125.02347	4.1
127.11214	0.6
129.01817	1.8
131.03400	4.0
133.12437	0.4
141.01807	0.4
143.03374	2.6
145.02843	0.6
149.04477	2.1
159.02875	5.0
161.04459	22.4
162.04866	0.8
173.11754	0.5
188.13144	0.4
191.05473	0.8
199.13286	1.0
205.03542	1.1
233.06584	2.5
291.18124	100.0
292.18448	9.4
293.08682	1.0
335.17142	0.9
422.99911	0.9
423.22318	73.4
424.13937	0.7
424.22736	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21258	0.4
52.29901	0.4
58.00477	0.6
59.01242	3.9
59.68567	0.4
63.96100	1.9
69.03311	1.0
69.26375	0.6
69.26775	4.1
71.01244	0.7
72.00256	1.7
73.98186	2.2
79.95607	12.6
80.96391	50.1
85.02784	0.4
87.00233	0.5
89.02347	0.5
94.69221	0.4
96.95890	15.4
98.95463	4.6
98.96237	0.7
99.99765	19.9
101.02272	0.5
111.92038	0.7
111.92828	18.3
112.93614	19.0
113.02249	0.4
119.08543	1.9
125.09626	1.4
125.87997	0.4
127.11172	2.7
135.08028	0.9
137.09630	5.8
139.05746	2.6
141.07329	1.5
153.07314	1.1
155.10669	0.6
163.70183	0.4
169.06845	14.3
170.07155	0.6
171.10185	17.0
172.10529	0.6
201.11253	13.4
202.11549	0.9
215.10861	0.6
221.03134	0.7
291.19638	0.8
309.20590	2.0
333.20541	0.5
341.18173	0.7
379.04449	0.5
423.15103	100.0
424.15497	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1251
Annotation	Teysmanone A
Peak:m/z	Relative Intensity
57.59439	1.8
59.01245	11.1
71.57037	3.1
75.00753	2.0
78.95752	1.9
79.95185	1.4
79.95602	40.2
80.96387	35.3
96.95884	26.5
107.19930	1.8
114.92516	34.8
125.09567	3.1
141.09091	6.0
171.10123	2.0
182.83736	1.8
185.11728	2.5
191.14339	2.3
207.10136	2.2
209.11761	2.2
245.18996	6.1
257.04785	1.9
289.18054	18.8
307.19144	37.1
308.19476	3.3
333.20630	2.7
341.17569	2.1
387.14853	15.1
423.12360	100.0
424.12790	12.1
424.26752	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0929
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
64.95052	1.9
71.01239	4.9
71.55363	1.7
71.55737	2.4
83.90731	1.6
85.02818	4.2
88.77164	1.4
95.01272	3.4
96.95887	1.7
101.02314	2.9
107.01258	6.2
108.02033	6.8
109.02840	11.2
111.00771	1.9
113.02304	2.1
123.00774	13.4
125.02331	28.9
139.00252	4.3
140.01080	3.4
141.01770	2.5
151.00262	9.0
168.00562	5.0
169.01329	45.0
170.01649	1.6
198.00723	1.5
227.50690	1.4
235.32414	1.7
274.87485	1.6
296.25818	1.6
302.18701	1.5
313.05597	8.7
380.13916	1.6
423.09302	100.0
424.09827	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	421.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57924	0.3
55.14137	0.4
55.84760	0.4
57.03330	1.7
57.65365	0.4
59.01249	100.0
60.01587	1.3
65.56695	0.3
65.71884	0.3
69.03347	0.4
71.01256	1.0
71.19708	0.5
73.02835	0.6
74.02355	0.5
79.18626	0.4
79.95598	1.7
80.96362	1.8
87.04396	0.9
88.03922	0.5
89.02324	0.4
91.61599	0.4
95.54212	0.3
96.95882	1.9
97.06471	0.4
98.95499	0.6
99.08080	0.4
101.02319	0.6
104.03431	0.5
107.01290	1.2
108.80077	0.4
113.04124	0.4
123.00817	1.2
123.08012	1.0
125.02338	5.4
131.73383	0.4
141.09070	0.8
141.12758	1.0
143.10684	0.4
151.00327	0.5
153.09143	1.0
161.02350	0.4
166.29697	0.4
168.00623	0.5
169.01329	8.7
169.12341	0.5
170.01701	0.7
171.13849	1.5
174.23433	0.4
187.13255	0.7
201.14899	1.9
217.14377	0.7
222.58838	0.5
225.11256	0.5
315.25476	0.8
323.09637	0.7
345.09143	2.5
345.59323	0.9
359.27777	1.8
361.29584	34.8
362.29910	5.2
412.08823	0.5
421.09628	1.6
421.15088	0.7
421.59775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2596
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03319	1.2
59.01248	5.4
64.07555	0.7
65.03819	1.4
69.03310	1.4
69.46979	0.7
71.01241	0.9
71.04902	0.7
71.36960	0.9
78.19008	0.6
78.95759	1.0
79.95592	2.3
80.96385	2.6
81.03333	1.7
83.04885	7.2
84.79341	0.7
85.06441	2.3
90.12770	0.8
93.03350	0.8
95.04919	1.3
96.95892	2.0
97.06454	3.1
101.38865	0.8
107.04873	0.9
109.06474	2.2
111.08022	2.9
112.93607	1.5
123.08059	2.2
124.75224	0.7
125.09614	9.9
135.08069	0.9
137.09596	0.9
149.09650	0.8
151.11215	1.2
153.28333	0.9
155.10721	1.0
163.11218	1.3
171.10188	22.8
172.10446	1.1
185.11765	1.3
187.14828	2.6
189.16429	0.9
203.14427	0.8
205.15910	3.9
209.11797	2.6
211.13297	4.9
213.14809	1.3
215.14330	3.5
219.10220	1.0
221.15427	3.2
231.13866	2.9
233.15414	30.3
234.15761	2.5
249.14893	12.1
251.16498	2.4
252.13730	1.3
257.17496	2.0
283.19083	1.2
313.25446	1.3
331.26443	1.8
341.24896	2.4
359.25781	1.7
367.22537	0.9
375.25427	1.9
377.26917	3.2
385.23761	5.3
393.26434	1.6
403.24881	56.1
404.25098	8.0
421.25928	100.0
422.26343	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	421.2594
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03341	3.9
59.01250	11.7
69.03312	3.9
71.01260	3.9
71.36516	6.4
78.95815	2.8
80.96381	4.2
83.04913	3.2
87.90179	3.3
94.18860	3.3
95.04910	5.4
96.95834	3.2
97.06476	5.5
109.06492	4.9
123.04444	4.8
123.08022	4.4
135.08099	3.1
137.09599	4.4
142.58124	2.9
153.12790	5.3
155.85585	3.2
185.11659	16.4
191.14374	6.0
207.13828	23.4
209.11563	4.5
213.14993	5.4
223.13560	4.2
235.13356	77.3
236.13727	8.4
237.14954	4.4
249.14915	4.6
251.16507	3.6
253.14433	12.7
275.16833	3.8
341.24869	12.5
357.24280	3.7
359.25943	11.6
367.22849	5.7
375.25186	5.9
385.23883	27.4
386.24194	3.5
393.26483	5.5
403.24863	100.0
404.25299	13.3
421.08978	5.7
421.25934	87.6
422.26215	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.5
57.03319	4.9
58.00467	1.5
58.65208	0.4
59.01248	35.3
60.01601	0.4
60.99147	0.3
61.98717	0.4
63.50924	0.4
68.99684	0.5
69.03326	2.3
71.01251	100.0
71.04883	0.9
71.56338	0.7
72.01584	1.0
72.99184	3.6
73.02817	31.5
73.19972	0.4
74.03156	0.7
75.00748	2.0
79.95591	1.9
80.28844	0.4
80.96387	1.5
81.03324	0.7
83.01256	14.3
84.02045	0.6
84.51859	0.4
85.02821	45.3
85.99969	0.4
86.03148	1.3
87.00732	3.5
88.13721	0.4
89.02313	17.5
95.01263	7.5
95.01826	0.7
96.95885	4.4
97.02814	3.5
99.00755	16.8
99.01421	0.8
99.04396	0.5
101.02320	65.3
102.02663	1.4
107.01215	0.4
111.00751	1.3
112.93523	0.4
113.02327	37.7
114.02689	0.9
115.03905	1.0
119.03358	1.5
119.43287	0.3
123.00797	0.9
125.02324	6.7
127.11149	2.7
129.01820	1.6
131.03410	4.2
139.00201	0.8
143.03409	5.0
145.02838	0.6
148.78409	0.4
149.04424	1.8
153.01736	0.4
156.39635	0.4
159.02910	8.4
161.04457	49.8
162.04810	1.8
163.11102	0.4
169.01311	2.6
185.11771	0.8
189.29849	0.4
191.05553	1.0
193.12251	0.6
205.03447	3.0
209.11732	1.2
211.13274	1.1
217.01166	0.4
230.02060	0.4
233.06593	2.7
247.02414	0.5
273.00391	2.3
289.16556	87.1
290.16913	8.4
293.08694	1.2
315.02258	1.0
315.52756	1.5
316.03064	0.7
316.79715	0.4
333.04260	0.6
333.15439	0.9
361.29556	0.8
377.06442	0.5
420.98538	1.0
421.05597	3.2
421.15231	5.3
421.20581	26.2
422.15530	0.8
422.20978	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	421.2076
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01757	5.3
57.03322	6.2
58.00471	3.6
58.51632	0.5
59.01250	63.4
60.01569	0.7
61.98712	1.0
62.02058	0.6
65.00204	0.8
68.74269	0.5
68.99680	0.9
69.03320	3.2
71.01252	100.0
71.04901	0.9
72.01597	1.9
72.99174	4.8
73.02818	24.8
74.67850	0.6
75.00739	2.2
79.95606	1.8
80.96381	0.8
81.03348	1.4
83.01255	19.3
84.01624	0.7
85.02821	35.4
85.99987	0.9
87.00750	5.0
88.03881	0.6
89.02316	38.6
93.03333	0.6
95.01244	5.3
96.95892	2.4
97.02832	4.5
99.00745	12.0
101.02321	59.7
102.02617	0.7
106.04153	0.6
107.01248	1.7
109.02837	4.0
111.00779	7.0
113.02326	29.3
114.02589	0.8
115.03857	2.1
119.03345	2.5
123.00716	1.7
125.02335	11.1
127.03944	0.6
127.11097	1.6
129.01779	1.1
131.03395	26.8
132.03690	0.6
137.02373	0.7
139.00218	0.8
139.41382	0.6
143.03391	4.3
149.02412	1.2
149.03506	0.6
149.04457	9.3
150.03085	0.7
150.99292	0.7
151.00266	6.8
152.00615	0.8
153.01839	41.1
154.02127	2.0
159.02911	4.6
161.04465	24.0
162.04688	0.7
165.05450	0.8
169.01227	1.7
173.04417	0.9
178.99797	3.1
185.11792	0.6
191.05608	2.8
199.13193	0.7
205.03307	1.2
211.13367	0.7
215.05432	1.3
233.06575	5.3
257.68317	0.5
259.15259	0.8
259.19110	3.4
271.15182	0.6
289.03543	4.3
289.16565	46.2
290.16827	3.0
293.08749	1.2
315.52545	2.3
355.75928	0.6
389.08466	1.1
392.98547	0.8
393.07556	0.6
420.98090	1.4
421.06985	2.5
421.20117	30.9
422.20746	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05833	7.4
53.73018	8.1
54.25710	7.6
59.01251	92.2
69.78918	46.9
71.01245	27.8
74.31827	7.2
78.95755	10.0
81.83579	7.8
87.00755	9.2
89.02312	12.3
95.01273	11.8
96.95872	16.5
98.20514	16.1
101.02309	36.5
111.00748	11.4
113.02339	15.4
116.26208	9.9
123.00755	21.0
125.02323	29.0
152.99368	12.1
161.02411	9.4
169.01331	17.2
185.11737	60.6
247.02502	10.7
253.09262	12.1
259.11884	11.3
259.19122	7.8
265.03433	10.3
265.89169	7.6
284.84485	7.6
314.45062	7.4
361.18478	10.6
421.11267	100.0
421.16486	39.7
421.24234	23.2
422.15964	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.19
Annotation	Phe-Trp-Ala
Peak:m/z	Relative Intensity
59.01249	4.7
60.21657	0.2
60.33810	0.2
69.03329	0.4
70.77582	0.5
71.01254	0.5
79.95608	10.4
80.96385	1.6
83.04893	0.3
89.02294	0.3
95.95103	3.8
96.95887	100.0
97.06467	0.7
97.95801	0.5
101.02314	0.3
112.77472	0.3
112.93602	0.9
153.09004	0.3
167.94815	0.3
169.01355	0.3
171.10178	1.0
193.12276	1.3
197.11784	0.6
199.48523	0.3
209.11790	1.0
211.13379	0.6
225.14917	1.6
243.16003	1.0
291.19534	0.3
307.08582	0.6
323.11758	0.6
341.23282	3.1
391.17953	0.6
421.18994	56.8
422.19312	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87288	3.8
59.01255	7.8
70.79372	3.1
71.01248	10.0
71.10076	9.0
121.58056	3.3
134.40077	3.7
169.01291	6.0
175.00313	5.1
175.81761	3.7
190.02618	11.7
205.05066	17.6
223.06093	5.1
264.46170	3.8
366.48236	3.9
377.18198	13.2
420.92856	5.0
421.16278	100.0
422.16797	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05833	7.4
53.73018	8.1
54.25710	7.6
59.01251	92.2
69.78918	46.9
71.01245	27.8
74.31827	7.2
78.95755	10.0
81.83579	7.8
87.00755	9.2
89.02312	12.3
95.01273	11.8
96.95872	16.5
98.20514	16.1
101.02309	36.5
111.00748	11.4
113.02339	15.4
116.26208	9.9
123.00755	21.0
125.02323	29.0
152.99368	12.1
161.02411	9.4
169.01331	17.2
185.11737	60.6
247.02502	10.7
253.09262	12.1
259.11884	11.3
259.19122	7.8
265.03433	10.3
265.89169	7.6
284.84485	7.6
314.45062	7.4
361.18478	10.6
421.11267	100.0
421.16486	39.7
421.24234	23.2
422.15964	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97709	0.7
51.63291	0.7
54.44992	0.6
56.97916	0.8
58.99472	3.4
59.01243	1.8
66.44115	0.6
71.28169	1.5
73.01061	0.7
79.95614	1.5
80.96388	100.0
87.99753	1.5
90.89140	0.8
96.95911	2.1
97.02869	1.1
97.06474	1.0
98.01785	0.8
111.02605	2.7
111.69610	0.8
113.04191	16.6
118.27126	0.8
123.04422	1.7
125.04157	1.3
125.09650	2.5
133.06448	1.0
135.08089	4.9
137.00568	0.8
141.03702	1.9
142.02664	0.9
151.11278	0.9
162.86887	0.8
163.11214	1.0
167.05296	3.5
169.06851	0.9
171.10168	6.9
181.12247	3.3
185.11765	4.9
189.12791	2.7
197.11870	0.8
207.10226	6.8
209.11739	1.2
225.11284	24.3
226.11664	1.8
227.13058	0.9
229.08975	6.9
236.10561	1.0
243.17419	5.3
255.21594	0.9
261.18610	1.4
269.15277	1.0
287.16537	8.3
305.17563	21.6
306.17957	2.2
321.15286	10.6
339.16321	66.9
340.16727	7.9
421.13321	3.8
421.18448	1.1
433.92471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93560	1.0
52.48310	0.8
57.03325	0.9
59.01251	4.2
71.01226	0.9
71.56674	1.2
73.98183	2.2
79.95598	6.6
80.96392	100.0
93.40232	0.9
96.95892	7.9
112.93613	18.8
113.04189	3.4
115.05746	2.8
135.04410	1.4
141.03677	5.5
143.05276	7.5
151.11189	1.8
153.08989	1.4
153.12715	1.2
165.12714	1.1
178.29364	1.0
189.12817	1.8
197.11760	4.2
215.12856	1.4
222.29407	0.8
223.11658	1.0
233.18745	1.4
239.09259	1.5
241.42393	0.9
243.17482	2.9
260.96695	1.0
261.18677	1.1
277.18271	1.6
287.16510	5.4
291.19827	1.3
305.14023	1.3
305.17551	26.2
306.17944	3.2
311.16849	3.3
321.15292	7.2
322.15744	1.4
339.16339	48.5
340.16556	6.4
421.13678	4.7
421.19101	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1142
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01760	0.9
57.03318	0.3
58.00454	0.4
59.01252	6.5
62.74202	0.4
65.00183	0.6
67.01749	1.0
68.99682	0.4
69.03308	0.7
71.01255	5.4
71.56873	0.5
72.99167	0.9
73.02814	2.2
78.95789	0.4
79.01760	1.4
83.01265	1.9
84.90899	0.3
85.02822	3.5
87.00765	0.9
89.02334	0.8
95.01252	2.8
96.95892	0.7
97.02822	1.4
99.00738	1.0
99.81336	0.3
101.02328	4.6
101.47485	0.4
107.01274	4.2
107.04894	0.4
109.99998	0.5
111.00767	4.0
113.02339	2.7
119.03400	0.5
123.00770	20.9
124.01570	1.1
125.02335	18.9
125.03081	0.3
126.02666	0.8
127.00275	1.1
136.98682	1.9
137.09575	0.4
139.00267	6.4
140.01071	5.0
141.01862	3.2
145.02792	0.5
151.00278	12.6
151.01503	0.6
151.03934	0.5
152.00565	0.5
153.01875	1.1
161.04472	0.5
163.03914	0.8
166.99841	0.3
168.00546	4.2
169.01340	22.0
170.01648	0.9
179.10786	0.4
185.11746	2.6
189.01772	0.5
197.11766	0.7
199.09700	1.5
241.10678	0.9
247.02641	0.4
253.03593	0.4
259.11847	5.8
259.19348	0.4
275.01923	0.3
299.55530	0.3
303.32779	0.4
313.05527	1.9
378.74615	0.4
421.11398	100.0
422.11728	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	419.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.8
59.01250	100.0
60.01580	1.2
67.77797	1.1
71.01260	3.9
71.04913	1.4
71.56944	1.6
73.02824	2.0
74.02344	8.6
79.95599	2.6
80.69073	1.1
80.96395	1.6
85.02826	2.1
89.02306	1.9
93.03339	4.2
96.95895	6.1
101.02309	2.7
104.03413	3.7
113.02391	1.6
121.10125	5.1
123.00719	1.4
123.08076	2.0
125.02350	2.6
125.68752	1.0
137.02312	5.5
141.12776	1.5
145.14093	1.1
146.08122	1.9
157.08633	1.1
157.12228	5.7
169.01346	4.0
171.13867	2.5
182.97543	1.9
183.13832	2.6
187.13297	3.1
201.14882	8.2
215.00069	1.3
236.93286	1.1
359.28043	31.6
360.28430	2.7
380.94031	1.1
419.04181	2.8
419.26761	5.8
420.23859	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	419.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03321	0.9
58.00471	0.5
58.46429	0.2
59.01252	16.7
59.49813	0.2
60.01591	0.4
61.98698	1.2
63.23827	0.3
65.27408	0.3
67.79597	0.3
69.03317	0.5
70.68627	0.9
71.01254	11.2
72.99171	1.0
73.02831	2.9
73.44855	0.3
79.95617	1.3
80.96325	0.4
81.82029	0.3
83.01257	2.8
85.02818	4.1
85.99961	0.5
87.00761	1.6
89.02335	1.4
95.01270	1.0
96.95896	2.2
97.02810	0.3
99.00763	1.0
99.15081	0.3
101.01684	0.5
101.02325	5.9
111.00762	1.2
112.01537	0.4
113.02350	2.4
123.00801	0.3
125.02322	1.0
155.10693	0.4
169.01309	0.8
170.03085	0.3
211.20628	2.4
239.20120	0.9
256.07291	0.4
257.21191	23.7
258.21524	2.4
269.20969	0.4
271.22778	0.4
299.00742	0.5
299.22223	0.9
359.28043	2.0
389.55325	0.3
401.25394	2.5
401.49414	0.3
419.26489	100.0
420.07349	0.6
420.26865	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01597	1.1
71.01249	2.7
80.96416	0.5
85.02845	0.9
87.00788	0.5
87.12092	0.5
89.02309	3.3
96.95899	1.6
97.06495	1.7
101.02341	1.8
113.02377	1.2
119.03416	1.4
147.54102	0.5
153.12750	17.8
154.13094	0.9
179.10690	5.3
197.11760	39.0
198.12105	2.3
221.08200	1.0
302.61136	0.5
419.23102	1.3
419.30338	2.6
427.22433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80878	0.4
58.00469	0.5
59.01250	100.0
60.01593	1.2
70.63172	1.3
70.63523	0.5
71.01249	6.1
72.99176	0.5
73.02847	0.7
79.95620	0.9
83.01266	0.5
85.02812	2.1
87.00767	0.8
88.03918	0.5
89.02317	7.1
95.01318	0.5
97.06473	1.4
99.08018	0.8
101.02316	4.1
102.59074	0.4
113.02299	2.7
119.03355	3.1
120.25036	0.5
123.00761	0.6
125.02367	0.8
143.03403	0.8
153.12749	16.5
154.13078	1.1
161.04500	0.7
163.23160	0.5
169.01385	1.1
179.05563	1.7
179.10666	5.6
180.11095	0.6
197.11757	31.7
198.12070	2.2
239.16467	1.4
257.17505	2.5
288.01755	0.5
359.17145	0.5
419.17813	0.6
419.22995	2.0
419.30228	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	419.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13764	1.1
63.02254	1.3
67.92950	1.0
69.54699	8.0
76.52820	1.1
98.20486	2.2
107.01288	1.6
124.01553	8.7
125.02301	2.4
137.02310	2.7
138.03099	1.3
139.03908	8.0
151.00273	5.0
152.01033	3.5
153.05536	2.6
174.03122	3.7
175.03931	3.3
178.99754	4.0
187.03938	1.5
188.04597	1.3
189.05403	2.4
205.04988	2.6
206.05743	2.3
207.06468	1.9
221.08113	6.7
250.08368	1.9
269.04535	5.1
280.03882	1.8
281.04489	4.4
283.05991	1.5
285.07690	2.2
286.04886	2.2
294.05267	1.2
297.04013	1.6
298.04822	4.3
299.05417	2.4
301.07272	5.7
311.05576	3.1
312.06366	4.5
313.07150	18.1
314.07660	2.1
315.09012	1.8
325.07172	1.4
326.07870	3.4
327.08640	16.2
328.05930	2.5
328.09399	2.4
329.06635	12.2
329.10355	3.5
341.10318	2.6
343.08179	11.6
343.11856	2.0
344.09021	21.0
345.09579	1.8
358.10553	53.6
359.11328	91.6
360.11694	9.2
373.12912	76.3
374.13242	9.1
389.12439	21.1
390.12720	1.7
392.92194	1.3
404.14752	72.0
405.14929	7.1
419.10315	3.7
419.17108	100.0
420.17615	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	419.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97903	3.0
57.03304	1.3
59.01249	4.8
63.96095	0.9
69.86509	3.2
69.86920	2.0
75.32439	1.0
78.54788	1.0
78.95791	2.3
79.95601	3.7
80.96390	82.0
87.99780	2.3
96.95857	4.5
97.06476	1.8
98.20455	2.0
99.07416	0.9
107.08554	1.2
111.02625	2.6
123.08031	1.4
123.99759	2.6
125.09617	2.6
130.48436	1.1
130.52800	0.9
133.06490	3.8
135.08031	1.1
137.00572	1.0
138.01382	1.3
147.08009	1.0
151.02119	1.8
152.02850	2.4
152.91762	1.3
166.04556	1.4
167.05280	5.1
181.12195	1.2
185.11684	5.4
194.92677	1.9
199.31726	1.0
207.10335	4.5
225.11223	3.1
229.09013	13.7
264.08145	1.4
285.15112	1.5
303.15952	4.4
319.13742	12.9
320.14035	1.8
336.94064	1.1
337.14789	100.0
338.15125	11.9
359.04706	1.2
419.12033	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	419.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97902	2.6
58.99489	0.6
59.01249	4.8
62.61546	0.5
65.45545	0.6
69.03323	0.6
71.56604	1.0
73.24714	0.6
78.95782	0.8
79.95598	1.6
80.96390	82.2
83.28520	0.7
87.99744	3.2
96.00283	0.7
96.95908	0.9
97.02821	0.8
97.06457	1.7
103.02112	1.1
103.04926	0.5
107.04842	0.6
111.02624	2.6
111.03370	0.5
113.04192	1.0
123.08050	1.2
123.99779	2.6
125.00549	0.7
125.09650	3.1
126.98528	0.6
133.06474	3.7
135.08040	0.8
138.01353	0.9
139.02116	0.9
151.02162	1.8
151.11169	0.8
152.02913	2.4
159.04474	0.6
163.11134	0.7
165.03708	1.4
166.04439	0.9
167.05286	5.0
171.10164	0.9
177.09212	1.0
181.12273	0.9
183.08459	1.0
185.11752	3.9
193.03178	1.1
195.10138	1.4
207.10300	3.6
225.11307	2.6
229.09013	14.5
229.11363	1.0
229.12302	1.0
230.09293	1.3
241.15862	1.7
259.16992	1.7
264.08289	1.4
282.09320	0.6
285.14944	2.6
303.15991	5.3
319.13705	13.6
320.14194	0.8
331.56949	0.6
337.14783	100.0
338.15125	10.7
419.12396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06781	1.4
57.03312	1.5
59.01248	66.0
60.01568	1.3
69.03333	11.6
69.63490	8.2
71.01246	15.9
71.04893	26.7
72.27852	1.3
72.99167	1.9
73.02809	2.1
79.95607	4.0
82.58929	1.2
83.01277	1.2
85.02818	6.4
89.02313	12.4
95.01287	2.1
96.95889	5.6
101.02335	12.6
113.02319	6.1
116.66489	1.4
119.03399	4.1
121.02045	1.8
121.02830	13.0
125.02316	2.7
134.03654	4.1
145.02931	1.2
149.09648	3.7
151.03886	1.5
153.12737	5.6
161.04485	3.3
169.01317	4.4
177.09056	6.6
177.16438	2.3
197.11780	7.8
221.08141	100.0
222.08485	5.4
225.42999	1.3
239.16470	11.1
307.14716	1.5
321.57721	1.5
387.07233	3.7
419.22607	40.6
420.23230	2.7
427.99017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.4
57.03294	1.5
58.00457	1.5
59.01250	100.0
69.03315	11.7
71.01250	20.1
71.04888	23.1
71.08989	1.1
72.99176	2.5
73.02812	2.4
79.95583	1.4
80.96349	1.2
83.01264	1.5
85.02798	6.6
87.00735	1.9
89.02316	15.1
95.01263	1.9
96.95909	7.1
97.06448	1.4
101.02326	13.2
113.02328	7.5
119.03367	7.3
121.02830	13.3
125.02328	3.3
134.03644	4.2
143.03513	1.3
144.19307	1.1
147.00790	1.5
149.09601	3.6
151.03998	1.1
153.11714	1.3
153.12770	10.7
154.13019	1.1
161.04530	2.2
163.51515	1.2
165.01813	1.4
169.01317	2.5
177.09172	7.7
177.16365	2.7
179.10687	3.3
179.14372	2.2
188.23853	1.2
193.74719	1.3
197.02219	1.3
197.11751	21.1
221.08144	94.8
222.08328	5.8
229.16772	1.8
239.16489	8.4
275.55844	1.2
307.14841	6.2
359.20773	1.7
375.14871	1.3
387.06900	2.9
419.13428	2.6
419.22726	49.1
419.27881	3.1
420.22888	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0986
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
51.75034	0.6
53.61641	0.5
57.03314	2.0
59.01247	13.4
60.57172	0.6
62.66050	0.6
63.02269	10.6
65.00196	11.5
71.01252	7.9
72.99208	1.1
78.95782	0.8
79.83233	0.5
81.03320	0.9
83.01256	10.7
85.02817	2.4
87.00742	0.7
89.02316	6.3
93.03339	2.4
95.01269	2.5
96.95866	1.3
99.00694	0.7
99.46332	0.6
101.02335	3.4
101.16956	0.7
107.01267	20.2
108.01498	0.7
111.00758	2.5
113.02333	2.4
117.03352	2.8
119.03364	1.3
119.04860	1.0
121.02870	1.1
123.00768	3.4
123.04391	0.6
124.01552	15.6
125.02338	13.7
133.02788	1.0
134.03624	4.6
135.04442	4.9
136.04715	0.7
137.02333	0.8
139.00240	3.8
141.01826	2.4
149.02332	1.3
149.04451	0.7
151.00272	74.9
152.01056	86.9
153.01390	3.6
163.00298	0.8
165.01802	1.2
166.99670	0.8
169.01346	19.1
169.06544	1.0
170.01646	0.7
173.06010	0.8
177.05486	1.7
178.99777	100.0
180.00098	4.3
193.01344	1.1
197.06055	1.4
201.05464	1.0
213.05547	0.6
215.07024	0.8
217.01454	0.7
225.05531	2.7
227.03436	5.9
228.03841	4.5
229.03967	4.9
239.16512	1.6
241.05016	2.3
243.06544	0.9
245.00819	0.9
255.02922	4.8
256.03268	5.1
256.07419	2.0
257.03500	8.1
258.04153	1.0
259.06070	9.1
261.28226	0.7
269.04532	66.9
270.04886	4.7
271.06036	0.9
284.03180	3.1
285.03680	4.8
286.04535	16.3
287.05475	8.5
290.00790	0.9
329.06653	1.2
343.07983	0.8
345.09738	2.1
359.11206	1.3
387.07291	2.0
389.16183	1.0
404.14340	0.8
419.09723	96.8
419.22543	14.6
420.10074	10.8
420.23309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0985
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
57.03316	1.3
59.01245	4.0
63.02264	9.6
65.00194	10.2
68.99685	0.6
71.01259	2.5
71.32596	0.7
71.32937	0.5
72.88660	0.5
78.19785	0.4
81.03350	0.7
83.01248	8.3
89.02315	2.5
93.03332	1.5
95.01268	1.2
107.01269	17.9
111.00759	1.9
117.03352	2.7
119.04921	0.9
120.49483	0.5
123.00774	2.6
123.04452	0.6
124.01562	14.1
125.02334	12.7
125.92960	0.5
133.02887	0.8
134.03642	4.5
135.04402	5.0
137.02420	0.5
139.00230	3.0
141.01794	2.3
149.02356	0.8
151.00272	78.7
152.01059	89.0
153.01395	3.5
169.01341	12.9
169.06416	0.7
173.05914	0.7
177.05490	1.3
178.99780	100.0
180.00232	5.2
183.04372	0.7
193.01454	1.1
194.05876	0.6
196.05373	0.6
197.05977	0.8
199.03940	0.5
201.05571	1.1
215.07152	1.2
225.05482	3.3
241.05122	1.3
243.06577	1.5
259.06064	10.6
260.06293	0.6
269.04547	67.1
270.04916	5.0
280.45105	0.4
286.04797	11.8
287.05539	8.5
288.05957	0.5
292.84698	0.5
293.06903	0.8
325.05423	0.5
389.16141	0.9
391.10526	0.6
419.09818	95.1
420.10150	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	419.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.5
61.10089	0.8
64.74315	0.8
69.65575	0.8
71.01257	0.9
71.03693	1.8
77.69411	0.8
85.02809	1.1
102.21662	1.0
107.30704	0.8
115.05471	1.1
117.03329	1.6
119.04913	1.1
123.00767	1.4
127.81212	0.9
131.04945	1.0
133.02869	2.1
135.04353	1.4
143.04924	1.5
145.02826	6.0
147.04413	2.5
149.02332	1.9
156.03645	0.8
158.03650	1.2
159.04405	2.5
160.01563	1.0
161.02318	2.6
163.03941	4.8
171.04391	1.1
173.02357	2.6
175.03914	3.8
177.01917	1.0
180.11343	0.8
185.59358	0.9
187.04028	1.1
188.01070	2.4
189.01872	2.9
190.02626	1.8
191.03360	1.6
198.03137	1.2
199.03889	1.9
201.01868	2.8
203.03358	3.1
213.02007	1.1
215.12668	0.8
216.00688	1.0
217.01335	5.5
219.02945	2.5
227.03514	2.2
229.01292	2.0
230.02110	2.1
231.02936	4.1
239.03621	1.1
243.02960	2.9
244.00099	1.0
244.98361	0.9
245.00880	22.0
246.01669	7.7
247.02438	59.3
248.02780	5.2
255.02885	1.7
257.00861	1.3
258.01535	1.2
259.02371	4.5
269.00919	2.3
271.02466	2.9
273.00439	5.2
273.03912	2.0
274.01080	2.3
282.01627	0.9
283.02518	2.0
285.04010	1.9
291.01483	1.9
295.02621	1.0
297.00339	1.5
299.01971	4.8
300.02802	1.0
300.99979	1.7
301.03363	1.8
315.01456	7.7
327.01459	20.5
328.01907	2.0
345.02536	7.9
346.03024	0.9
357.02463	11.9
358.02646	1.2
375.03485	10.2
386.42935	1.1
389.01660	1.7
401.01575	3.9
419.02533	100.0
420.02762	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	417.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.2
59.01250	100.0
71.01266	5.2
71.56490	2.0
73.02818	1.6
75.00760	1.6
79.95622	3.6
80.96422	2.4
89.02339	3.3
94.59497	1.4
96.95872	1.8
97.06466	2.9
99.97152	1.5
101.02318	3.8
121.02808	1.9
121.10110	4.2
123.08165	1.4
127.11154	3.9
169.01309	1.6
171.13820	5.0
185.11877	1.7
193.05045	1.4
200.14140	3.8
201.14883	3.8
227.16431	2.6
229.18097	5.6
261.00458	2.2
321.24268	4.0
327.01471	1.7
339.25391	6.1
345.09778	1.4
357.26471	41.6
358.26782	4.1
373.09167	1.6
399.07278	1.7
400.53955	1.6
417.08035	9.6
417.15433	1.9
417.28717	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05136	1.5
53.25397	1.5
56.38807	1.3
57.03320	2.7
59.01252	100.0
59.52365	1.6
60.43048	1.4
62.02496	1.4
71.01247	3.9
71.56688	1.8
75.00721	1.6
97.06458	2.1
101.02313	2.5
105.19460	1.8
111.08041	4.3
121.02836	3.3
121.10104	5.8
125.09603	6.4
141.12712	4.6
164.85558	1.6
171.13831	5.8
173.08109	3.7
185.11723	1.7
187.09631	5.0
200.14098	11.0
201.14807	4.3
229.18060	5.3
255.15947	1.7
297.24423	1.7
304.53796	1.5
321.24237	5.5
334.13181	1.5
339.25421	5.4
357.22198	2.9
357.26428	42.9
358.26791	4.9
417.08075	2.7
417.21149	5.0
417.28824	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03333	1.0
58.00462	0.9
58.22194	0.9
59.01250	100.0
59.66957	0.7
60.01577	1.2
71.01252	29.7
71.55134	1.1
71.55554	1.2
72.99187	2.2
73.02827	4.4
75.00705	0.8
83.01279	2.7
85.02818	8.9
87.00754	1.5
89.02315	26.9
95.01268	2.2
96.95898	0.9
99.00748	2.0
99.82442	0.9
101.02319	18.5
113.02325	14.6
119.03383	11.6
123.00719	1.1
125.02318	3.6
131.03453	1.0
143.03409	3.2
159.02885	1.2
161.04460	20.2
169.01385	2.4
177.09132	6.1
179.05533	7.5
195.10216	1.7
209.93532	1.0
217.01288	1.0
247.02531	2.8
273.00400	1.6
291.01489	1.8
337.00235	1.2
357.15552	23.1
358.16003	1.1
417.13620	8.6
426.83771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22266	1.5
51.37909	1.3
55.01751	2.4
57.03318	3.5
59.01251	100.0
60.01569	1.6
63.37652	1.5
67.25838	1.4
68.81783	1.4
71.01254	49.4
71.19344	4.2
72.99174	1.5
73.02824	13.9
75.00723	1.6
75.56570	1.4
76.50329	1.4
83.01268	5.6
85.02819	24.6
87.00740	1.4
89.02314	4.6
95.01279	2.9
99.00764	7.4
101.02327	28.7
103.85896	1.4
113.02335	20.7
123.00827	2.7
125.02341	4.0
143.03391	4.0
159.02921	5.3
161.04460	70.3
165.09100	16.5
169.01477	2.3
205.03424	3.6
247.02466	2.8
273.00381	5.0
337.00107	2.3
357.15515	42.5
358.15802	3.5
417.17905	1.9
418.91782	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	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41446	0.4
55.54593	0.4
57.76719	0.4
59.01245	3.2
63.02259	0.5
69.29846	3.0
69.30254	0.9
71.75565	0.4
83.01275	0.6
84.38222	0.4
85.02810	0.7
89.02303	1.2
93.03323	0.8
101.02323	1.3
107.01257	1.0
113.02325	0.7
119.03370	1.0
136.01523	0.7
151.00298	2.2
164.01064	0.5
169.01361	0.6
178.99815	0.6
181.04982	1.0
183.04474	1.2
187.04051	0.5
211.03961	1.5
227.03448	74.8
228.03792	6.0
229.04930	0.9
236.88509	0.4
239.03387	0.5
255.02965	89.8
256.03473	11.9
257.04245	0.5
284.03262	66.7
285.03973	26.6
286.04337	2.1
327.05127	0.9
417.08258	100.0
418.08655	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	417.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.2
63.02236	0.3
65.00181	0.8
69.46784	0.5
69.47202	0.9
71.01261	1.5
73.02814	0.4
75.00732	0.2
75.16093	0.2
77.93888	0.2
83.01241	0.8
85.02813	0.7
89.02322	1.0
91.72497	0.2
96.95895	0.2
101.02332	0.9
105.03376	0.2
107.01255	1.7
113.02320	0.5
119.03367	0.4
121.02799	0.3
132.02069	0.2
133.02841	9.4
134.03206	0.2
136.27608	0.2
149.02332	1.7
151.00269	5.5
161.04405	0.4
166.02614	0.2
169.25607	0.2
171.04399	0.4
175.03937	3.2
181.04993	0.3
185.05997	0.3
189.05431	0.2
194.29361	0.2
197.06078	0.3
198.03165	0.4
199.03934	2.4
200.04169	0.2
201.01895	1.3
211.03909	0.2
213.05513	0.4
215.03435	0.3
217.05022	1.6
223.03935	0.3
226.02650	0.3
229.04909	0.4
240.04013	0.2
241.04895	1.0
242.05545	0.2
243.02937	1.0
245.90640	0.2
255.15939	0.2
256.03741	1.5
257.04498	0.4
267.02814	0.3
284.03229	1.9
285.04022	100.0
286.04376	8.3
287.28137	0.2
325.99609	0.3
357.18964	0.3
357.27258	0.2
417.08252	11.3
417.21024	4.4
418.08533	1.2
418.21655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
55.01745	1.3
57.03311	0.8
58.00461	0.8
59.00949	0.7
59.01249	14.0
61.19629	0.3
69.03335	0.4
71.01250	14.7
72.99194	1.8
73.02825	3.0
75.00778	0.3
79.95625	0.4
80.96353	0.5
83.01233	2.0
84.36549	0.3
85.02818	5.2
85.99928	0.4
87.00753	1.0
89.02315	4.7
95.01266	1.3
96.95913	0.4
99.00758	1.2
101.02323	8.0
105.01842	0.5
107.01266	0.7
111.00743	1.1
113.02326	4.1
119.03355	1.4
121.02828	1.4
123.00749	0.8
125.02319	3.5
126.02664	0.9
129.01840	0.4
139.00253	0.6
151.00256	0.6
168.00511	0.5
169.01320	4.3
170.01674	0.9
170.88351	0.3
174.82301	0.3
208.10997	0.3
217.16017	0.4
223.16960	0.4
229.37914	0.4
235.16957	1.5
237.18576	4.8
253.18050	17.9
254.18387	1.2
270.98755	1.1
298.98303	0.9
316.10422	0.4
316.60873	1.7
329.59735	0.4
338.10101	1.3
338.60208	4.7
339.10345	2.0
339.60852	0.5
357.06207	1.1
392.60883	0.4
397.05588	0.6
397.22202	1.7
414.60672	1.3
415.06714	1.4
415.23343	100.0
416.23657	12.2
416.29163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
55.01755	2.0
57.03319	2.7
58.00461	1.9
59.01253	36.4
60.81564	0.5
66.08112	0.5
70.68064	0.8
71.01254	46.4
72.99181	3.2
73.02435	0.9
73.02821	10.0
75.00751	1.1
79.95625	0.6
80.96387	1.3
83.01264	5.5
83.04866	0.7
84.50636	0.5
85.02822	16.8
87.00753	2.4
89.02320	21.4
95.01269	3.6
96.95909	1.6
97.02852	1.1
97.06465	1.3
99.00745	4.1
101.02323	29.9
111.00774	0.6
113.02335	18.3
114.02688	0.5
116.15652	0.5
119.03401	9.2
125.02361	1.7
129.01883	1.0
131.03462	0.5
139.00235	0.7
143.03386	2.5
159.02904	2.7
161.04475	18.5
161.05832	1.0
169.01305	1.1
179.05507	2.3
205.03461	1.4
235.08188	1.3
235.17046	1.9
237.18529	3.5
242.09140	0.5
253.18044	14.5
254.18399	1.2
270.98840	2.7
277.13031	2.4
287.38266	0.5
298.98364	1.9
300.21796	0.7
383.80576	0.5
397.05609	2.0
397.22440	1.1
415.07361	3.6
415.23383	100.0
416.23679	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.4
57.03322	9.9
58.00455	2.2
59.01250	46.2
60.01555	0.5
63.96073	0.5
66.32215	0.5
69.03321	1.7
71.01251	100.0
71.04893	0.6
71.56348	0.7
72.01572	1.7
72.99182	3.8
73.02818	28.6
73.17368	0.6
73.88152	0.5
75.00734	2.3
79.95605	2.0
80.96387	1.6
81.03330	1.2
83.01254	12.4
83.04910	2.9
84.02010	0.7
85.02820	42.1
85.99997	0.7
87.00751	9.3
87.04391	0.6
89.02317	23.6
91.75092	0.6
95.01260	6.7
96.95876	2.9
97.02811	3.2
97.06423	0.6
98.57796	0.6
99.00094	0.6
99.00748	12.0
101.02320	73.1
102.02660	1.7
111.00775	1.2
113.02328	41.8
115.03910	0.7
119.03376	8.3
123.00787	0.7
125.02360	3.1
125.03151	0.5
129.01823	1.8
131.03360	1.3
143.03400	4.8
145.04968	8.9
147.11710	0.6
149.04431	0.9
159.02893	9.5
161.04459	67.2
162.04828	1.8
169.01189	0.6
179.05490	2.4
179.14375	2.7
205.03459	3.6
235.08182	32.2
235.17000	4.8
236.08495	1.4
242.99019	0.6
243.62071	0.6
253.17993	2.3
270.98804	1.2
285.32828	0.6
298.98096	0.6
300.99808	0.7
345.19131	5.6
415.02713	2.0
415.07120	1.2
415.17950	0.7
415.23682	10.3
416.12265	3.0
416.23602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.0
58.86050	4.0
59.01248	100.0
61.17759	4.2
65.11507	4.4
71.01248	89.3
71.37103	8.6
72.73883	4.7
72.99184	7.4
73.02793	6.0
85.02814	29.2
88.03914	6.4
89.02311	86.7
95.01299	5.3
96.95885	75.8
99.00755	8.3
99.04363	5.3
101.02333	47.0
113.02313	31.2
114.75953	4.7
119.03375	24.4
125.02380	5.2
137.09674	5.8
161.04456	16.9
169.01311	5.7
179.05524	18.3
183.46465	4.4
183.98618	5.1
371.07614	10.5
415.06894	6.9
415.21613	92.4
416.21936	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96634	0.4
59.01250	0.8
60.28638	0.5
66.47102	0.5
71.39516	0.5
71.56414	0.7
74.98967	6.2
77.00535	73.9
80.96394	0.6
93.78839	0.5
93.99565	0.5
120.68028	0.4
147.08051	1.5
149.09601	1.4
161.09657	1.0
163.11208	2.4
166.57610	0.5
187.11295	2.6
212.21852	0.5
279.13806	0.9
280.14630	1.1
307.17175	0.8
309.22232	2.2
321.18420	0.7
337.21716	100.0
338.22061	12.1
338.25504	0.4
355.54083	0.6
371.11517	2.0
388.08224	0.7
415.10684	1.8
415.23071	13.1
416.11328	0.7
416.23312	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	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
62.97902	6.5
69.32127	60.5
70.82487	6.2
71.01254	96.3
72.34621	5.6
72.99162	8.3
73.02826	9.5
85.02818	21.1
87.00743	8.9
89.02318	98.0
95.01249	8.5
95.63969	5.8
96.95865	10.2
101.02306	48.7
109.44781	5.9
113.02319	37.1
119.03366	37.5
125.02303	13.4
137.09535	8.9
141.46799	6.6
143.03415	10.6
161.04443	14.0
163.11171	6.5
169.01335	19.5
179.05490	29.6
187.89391	6.7
235.09747	6.4
285.67551	6.8
287.09686	6.6
303.99490	6.2
343.08136	7.7
371.07593	19.4
374.27295	7.1
415.06760	47.3
415.11526	9.9
415.19669	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01748	0.9
57.03325	1.1
57.75990	0.4
58.00465	4.0
59.01250	78.9
60.01579	0.7
60.21156	0.4
69.03343	0.5
69.54170	3.0
71.01254	62.6
72.01585	0.8
72.99184	3.7
73.02819	10.6
81.03329	0.7
83.01254	2.3
83.35014	0.4
85.02821	8.2
85.85597	0.4
85.99960	1.3
87.00750	7.2
87.24277	0.4
89.02316	100.0
90.02655	1.6
97.02834	1.1
97.63791	0.4
99.00746	0.6
101.02322	37.5
102.02644	0.9
111.00756	0.6
113.02335	12.3
119.03380	4.7
122.60506	0.4
122.69813	0.4
124.59072	0.4
125.02363	2.8
125.03185	0.5
131.03395	41.5
132.03729	1.1
148.08658	0.4
149.04459	56.2
150.04803	1.6
161.04442	0.5
169.01321	0.9
191.05534	19.5
192.05841	0.6
251.07655	0.5
283.11963	0.6
332.97037	0.6
334.96957	0.9
415.16040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.00628	0.5
55.01758	1.3
57.03326	1.4
58.00468	3.7
59.01252	71.7
60.01588	0.9
61.02847	0.4
69.03334	0.8
69.85565	2.2
71.01254	76.8
72.01597	1.1
72.99164	4.8
73.02821	10.5
79.95617	1.0
80.96397	1.3
81.03343	0.6
83.01266	2.4
84.67207	0.5
85.02823	11.1
85.78530	0.5
87.00753	3.2
89.02319	100.0
90.02660	1.4
93.03352	0.6
95.01265	1.9
97.02818	0.7
98.19890	0.7
99.00764	2.5
100.72665	0.5
101.02323	38.8
102.02676	0.6
102.98470	1.7
112.93612	9.1
113.02336	16.0
119.03391	14.2
125.02357	3.2
131.03395	23.9
143.03392	3.2
149.04462	42.1
150.04771	1.1
161.02289	0.8
161.04431	2.8
162.03198	0.7
169.01280	0.6
173.02266	0.8
179.05522	5.8
191.03696	0.8
191.05528	9.8
209.11720	1.0
215.03369	0.6
234.01559	1.0
283.05051	1.0
283.11804	0.6
299.99005	1.8
300.99606	1.7
332.97006	0.7
334.96814	1.7
351.60007	0.5
406.93356	0.5
415.03137	0.6
415.10699	4.7
415.15930	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	414.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
58.02833	0.9
59.01253	7.9
67.55511	0.5
69.03297	0.6
69.45214	4.7
70.02850	1.1
71.01252	22.1
71.04896	0.6
72.99168	1.1
73.02807	0.7
75.10640	0.5
76.38789	0.5
85.02829	1.6
88.03912	64.2
89.02310	2.7
89.04260	0.9
89.78593	0.5
94.06473	0.5
94.72327	0.5
95.01257	0.7
96.95877	1.1
96.99194	1.3
98.19774	0.8
101.02321	2.2
109.06454	1.2
111.08028	1.2
113.02351	1.3
114.01854	1.0
115.00255	19.0
119.03357	1.3
121.02838	1.3
125.02329	0.9
125.09625	0.7
127.07520	2.2
132.02927	4.3
135.19997	0.6
142.12254	1.6
151.00293	0.6
152.10678	5.6
161.04443	1.2
169.01270	1.3
169.12219	1.0
170.11780	12.4
170.15260	0.6
184.13402	1.4
219.17516	1.9
234.18611	0.8
237.18517	4.0
253.14410	0.9
254.21317	0.7
255.19699	4.1
263.16434	1.3
273.00308	0.7
281.17532	5.9
283.99518	0.6
284.19971	0.6
298.20224	19.5
299.18542	29.0
300.19003	2.6
323.99097	1.9
370.22287	10.3
371.22690	1.0
383.00320	1.1
396.20209	1.3
414.21307	100.0
415.03021	2.0
415.15729	0.6
415.21564	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19983	6.0
59.01250	100.0
59.81671	5.5
59.88415	7.4
61.06161	5.8
66.14426	5.7
69.92526	21.1
69.92938	13.0
73.32759	5.6
78.95835	5.4
96.60127	5.7
96.95901	6.4
98.20453	9.4
99.19417	6.8
116.14921	6.7
201.03578	6.4
256.02707	6.2
314.24371	6.5
334.74167	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	414.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78884	0.5
57.03314	1.4
58.02847	1.4
59.01254	11.7
69.03317	0.7
69.74226	2.7
71.01255	30.1
72.99165	0.5
73.02805	1.0
81.33934	0.5
83.01279	0.5
83.04888	0.7
85.02821	2.1
88.03915	69.5
89.02307	4.1
89.04266	0.7
95.01285	1.0
96.95898	1.1
96.99187	1.4
98.19715	0.6
101.02302	4.3
111.08044	1.3
113.02328	2.2
114.01860	0.5
115.00256	20.5
115.01057	1.1
119.03382	1.1
120.08070	0.9
123.00756	1.8
123.08099	0.7
125.02322	2.4
125.09631	1.2
128.10701	2.4
132.02933	4.6
138.09143	5.8
139.00302	0.6
139.07559	0.8
141.01810	0.6
141.09117	0.7
151.00293	1.0
152.10667	0.6
155.10602	0.6
156.10216	8.6
156.13821	0.8
161.04420	0.6
169.01344	3.2
170.11775	1.4
179.60765	0.5
182.11795	0.6
184.13351	0.6
191.14404	0.4
196.83911	0.4
199.13280	0.5
219.17487	3.4
234.18564	0.8
235.13184	0.5
237.18565	3.3
241.99754	0.4
252.19687	1.8
253.18092	0.6
254.21384	1.1
255.19510	3.9
263.16525	2.2
280.19180	0.7
281.17590	6.1
282.17990	0.6
298.20230	20.0
299.18561	30.7
300.18927	2.5
370.22342	11.5
371.07629	0.5
371.22705	1.3
394.77112	0.5
396.20377	1.9
414.21320	100.0
415.07492	2.7
415.15817	3.9
415.20837	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23377	1.2
59.01248	100.0
66.59281	1.5
70.91331	3.1
70.91449	1.2
70.91798	1.3
143.93152	1.5
152.68561	1.4
162.72887	1.2
166.91016	1.3
233.36398	1.4
266.76651	1.5
348.92679	1.8
409.42020	1.3
413.30673	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	413.2182
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01763	1.3
55.99070	0.7
57.03310	1.1
58.00457	2.8
59.01251	39.4
61.98703	1.0
68.13092	0.8
70.59733	2.3
71.01252	28.1
72.99175	3.2
73.02814	2.7
83.01252	3.9
85.02818	9.1
85.99952	0.8
87.00764	0.8
89.02314	18.1
95.01256	3.2
99.00778	1.4
99.04376	1.1
101.01688	1.5
101.02324	18.4
110.30724	0.7
111.00729	0.8
112.58276	0.7
113.02320	8.7
119.03387	8.1
121.02843	1.0
123.01608	0.8
125.02366	2.0
131.03418	0.7
139.00253	0.9
143.03424	0.7
154.98567	0.7
169.01331	3.0
177.65567	0.7
191.03378	0.8
196.47809	0.8
209.93047	1.0
233.15540	1.7
251.16414	2.5
276.88690	0.7
332.96997	0.8
344.95746	0.8
413.21790	100.0
414.22162	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	413.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	30.5
61.65456	7.6
61.98699	30.9
67.44170	10.0
71.01236	9.6
71.56496	7.0
74.95129	7.8
78.42148	7.5
79.65471	7.3
79.95606	21.9
80.96384	16.2
87.93261	7.7
96.95913	12.3
101.02361	10.1
104.97887	7.3
111.92831	28.0
113.03440	10.8
141.06583	100.0
169.01331	8.8
177.01979	7.4
182.01945	8.1
186.11281	28.8
214.07422	25.2
215.08124	23.5
271.14545	40.9
332.96942	13.7
397.05246	8.5
413.21649	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.9279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
60.97444	0.3
62.19779	0.3
65.17796	0.3
65.99715	0.5
69.99157	1.0
95.01285	0.4
107.01248	0.7
111.00698	0.4
116.74957	0.3
117.03315	0.5
123.00788	1.5
125.02319	3.7
126.02639	0.3
137.02354	0.6
139.00240	0.4
145.02844	0.9
166.99843	0.3
169.01347	4.2
172.01538	0.9
173.02338	1.2
181.01303	0.3
189.01854	0.8
190.01353	0.8
200.01096	0.6
201.01866	1.2
203.74181	0.3
204.99512	0.3
208.02377	0.3
214.99756	0.4
216.00549	0.9
216.99580	0.4
217.01395	1.8
219.45479	0.3
220.99046	0.4
226.99832	0.4
228.00574	2.0
229.01418	0.7
232.00049	0.3
232.99037	0.5
242.99341	0.7
243.99998	2.0
245.00883	4.1
246.01134	0.3
248.98647	0.5
260.98486	0.4
270.98871	3.2
271.99631	2.8
273.00348	6.1
274.00699	0.5
276.98190	1.2
281.53754	0.3
282.98639	1.0
287.97363	0.4
288.98083	0.8
293.04498	0.5
298.98380	3.1
299.99097	20.0
300.99759	6.0
304.97507	0.5
313.05301	0.4
332.97089	100.0
333.97418	8.1
392.54034	0.6
393.04129	0.6
399.34436	0.3
412.92731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10004	8.8
56.63124	9.1
58.00416	8.1
59.01250	100.0
59.70223	7.5
60.50203	7.6
61.98735	7.7
62.00495	8.2
63.31392	7.8
69.52921	62.2
71.01244	83.9
72.99188	12.9
83.01251	11.5
85.02826	22.8
87.00758	20.5
88.03947	9.2
89.02324	82.0
96.95864	14.0
99.00784	10.3
101.02326	42.8
102.01852	29.2
110.56270	8.1
113.02349	37.6
119.03378	38.9
122.59328	9.0
125.02329	14.7
127.11790	9.7
137.09616	25.7
139.00275	9.4
142.80437	8.7
151.00259	14.3
161.04465	11.0
162.04013	9.8
169.01360	11.5
179.05518	13.9
299.99179	9.4
332.97046	18.5
333.02499	33.4
369.19104	12.6
412.00320	10.0
412.19836	37.4
413.05215	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56787	1.1
58.99461	2.6
59.01250	100.0
60.01603	1.6
70.67157	1.2
73.64533	1.0
74.61990	1.2
78.95777	10.8
79.95596	2.9
80.96385	6.6
88.98666	2.9
90.13371	1.3
96.95889	4.8
112.93593	2.1
114.22269	1.1
116.51768	1.3
138.95151	2.0
152.99466	6.6
153.99699	1.6
154.99858	1.6
160.56577	1.3
171.10162	1.9
237.04128	1.1
255.23416	1.5
299.20160	5.8
305.81656	1.2
383.18448	3.0
391.17490	1.8
398.67618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99464	5.7
59.01250	100.0
74.98994	3.2
78.95770	23.4
79.95618	9.9
80.96395	14.9
96.95899	10.3
103.36359	2.5
112.93633	5.1
138.95168	6.7
152.99500	14.3
154.99934	3.4
171.10135	4.3
172.10428	4.2
203.52116	2.7
208.11475	2.7
255.23265	4.8
295.22739	3.3
426.88077	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	409.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79438	1.5
55.69820	1.4
57.03321	7.1
59.01252	35.6
68.02893	1.9
69.03323	14.4
71.01267	4.3
71.56804	2.0
78.95780	8.9
79.95621	5.8
81.03339	1.8
83.04913	2.2
84.02036	1.5
85.02824	39.4
87.74979	1.6
88.03938	1.9
93.55106	1.8
94.77718	1.6
96.95893	12.4
97.02832	59.0
97.06467	2.8
97.95718	1.8
98.95457	2.6
99.92483	3.4
110.72476	1.4
119.08549	1.6
125.09624	6.2
127.07517	1.6
127.11190	2.6
137.09610	17.5
151.09486	1.6
152.99489	4.9
155.10709	2.4
165.08893	2.6
165.12753	6.3
171.10181	57.5
184.00331	1.5
191.06784	2.1
193.08391	100.0
194.08774	5.1
201.11221	2.3
207.09956	9.1
209.07930	2.3
211.08147	4.4
211.13351	8.7
219.10085	1.9
221.11713	3.9
222.08672	22.4
223.09370	3.7
229.14449	6.6
231.10031	3.2
233.11572	46.5
237.15576	1.7
249.11252	5.1
251.11417	14.8
254.07654	3.4
261.11127	14.0
279.12302	3.5
291.19391	2.2
294.10834	8.5
300.96222	1.7
313.17844	3.4
327.21765	80.2
328.22131	11.3
331.18051	11.1
332.18301	3.5
349.19839	67.4
350.19962	10.1
393.18814	5.2
409.19266	6.6
410.18915	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	409.2358
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
58.99467	0.6
59.01220	0.5
67.32456	0.3
71.27262	0.4
71.27625	0.4
78.95773	66.9
79.95612	0.9
80.96387	0.8
96.95898	0.6
96.96835	4.8
108.12762	0.3
108.37135	0.3
138.95258	0.4
141.05457	0.3
150.97906	1.6
152.99484	100.0
153.99820	1.7
171.00546	2.7
171.10255	0.5
255.23245	1.9
266.03406	0.3
399.14160	0.4
409.17938	0.7
409.23538	14.2
410.23978	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	409.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64781	1.7
57.03310	7.4
59.01252	42.2
61.98701	1.9
64.43027	2.1
67.53770	2.0
69.03313	10.6
71.01250	4.6
71.56668	3.3
78.95752	6.1
79.95593	6.1
81.24149	1.7
83.04886	3.3
84.02080	2.6
85.02820	29.5
88.03915	3.5
96.95892	18.8
97.02824	45.2
97.06474	5.2
98.95451	5.1
101.02307	2.2
123.08015	1.9
125.02289	2.1
125.09590	6.4
127.11181	3.4
137.09631	20.3
147.34084	1.7
152.99423	2.1
153.09174	2.3
155.10645	2.5
165.08890	3.3
165.12808	12.8
168.46510	1.8
169.01387	2.1
171.10181	51.3
193.08391	86.5
194.08755	4.2
201.11087	2.6
205.12090	2.1
205.63831	1.8
207.09988	10.3
209.07909	2.8
209.11859	2.9
211.08199	1.9
211.13362	14.6
219.10075	1.9
221.11655	9.8
222.08702	15.9
223.09570	2.6
229.14362	7.7
231.09927	7.4
233.11555	73.7
234.11876	4.6
249.11046	7.3
251.11409	25.7
252.11626	3.0
261.11121	14.8
279.11777	2.8
291.20013	2.2
294.10559	4.3
313.17783	2.3
327.21765	95.8
328.22177	9.0
331.18408	14.4
349.19894	100.0
350.20389	8.9
354.59848	2.0
393.18890	5.2
409.18454	7.6
409.23642	2.9
410.19278	2.2
422.67908	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62644	0.4
59.01247	3.7
61.98700	1.1
63.71422	0.3
69.03323	2.2
70.44258	1.1
70.44614	0.7
71.01239	0.6
71.04854	0.4
71.66992	0.3
78.95780	0.5
79.95611	1.0
80.17771	0.3
80.91576	0.4
83.04916	0.6
93.66268	0.4
96.95885	3.7
98.95425	0.5
99.92455	0.6
108.05739	0.7
112.54554	0.5
118.94108	0.6
119.08568	2.8
120.47309	0.4
125.09617	3.2
127.11187	0.7
135.08046	1.2
137.09613	15.7
138.09914	0.6
139.11172	0.4
165.08884	2.3
167.10477	0.8
171.10173	20.6
172.10536	1.1
191.06836	1.5
193.08391	100.0
194.08728	4.4
197.10222	1.0
199.11763	0.6
201.11261	3.0
203.10913	0.4
203.14311	0.5
209.07961	1.9
211.08147	0.7
213.11253	0.6
223.09616	2.6
225.09740	5.0
226.10002	0.5
241.09291	2.2
247.13228	0.6
253.09410	2.0
292.85522	0.4
309.20694	1.3
327.21741	8.5
328.22333	1.0
331.17838	6.4
332.17972	1.0
349.06104	0.4
349.18915	2.9
396.59326	0.4
409.12909	1.9
409.18567	0.9
410.13193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30048	0.3
55.01759	5.9
57.03326	4.2
58.00465	1.5
59.01252	29.4
69.03330	1.7
71.01252	54.9
72.01599	0.8
72.99179	3.6
73.02820	27.9
74.03177	0.4
75.00750	2.0
81.03314	0.6
83.01260	12.3
85.02821	30.8
85.99979	1.9
86.03164	0.8
87.00755	3.7
89.02318	9.9
91.30587	0.4
95.01260	3.9
96.95847	0.5
97.02831	2.4
99.00755	12.1
101.02321	58.8
102.02644	1.2
111.00767	2.4
111.04377	0.4
113.02330	20.3
113.09610	0.6
114.02659	0.4
115.03895	1.6
115.11171	1.0
119.03387	0.6
125.02350	3.9
127.15298	0.4
129.01814	1.7
131.03386	3.4
141.01860	0.4
143.03394	2.4
149.04420	1.0
159.02905	4.9
159.04756	0.8
159.10168	0.6
159.11642	0.6
161.04466	23.6
162.04755	0.7
165.00688	0.4
185.11838	0.8
205.03467	1.2
206.90741	0.4
215.05563	0.4
233.06638	3.1
239.40916	0.4
277.16547	100.0
278.16895	8.6
293.08722	1.1
298.11169	0.7
321.15591	1.3
329.02936	0.6
409.20776	93.2
410.21140	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.5
57.03325	4.1
57.33170	0.3
58.00464	1.5
59.01250	30.7
67.01757	0.4
68.91416	0.3
68.99699	0.4
69.03326	1.5
70.84668	0.4
71.01252	52.0
71.56409	0.7
72.01593	1.0
72.99182	2.9
73.02818	31.7
75.00748	1.4
81.03353	0.5
83.01254	13.8
84.02045	0.4
84.97408	0.5
85.02820	29.5
85.99967	2.4
86.03142	0.9
87.00752	3.7
89.02313	9.6
95.01266	3.8
96.95851	0.7
97.02837	3.4
98.28793	0.3
99.00749	12.3
99.04421	0.5
101.02321	63.4
102.02650	1.4
111.00769	1.7
113.02328	22.7
113.09629	0.5
114.02637	0.4
115.03906	2.2
115.11175	1.0
119.03407	0.6
125.02349	3.7
129.01797	1.8
130.62231	0.4
131.03395	3.1
141.01808	0.5
143.03383	2.3
149.04474	1.4
159.02901	4.5
159.04767	1.9
159.10110	0.6
161.04463	23.1
162.04849	0.8
167.39960	0.4
171.50020	0.4
185.11798	0.8
191.05536	0.9
205.03459	1.3
233.06601	2.8
277.16537	100.0
278.16882	8.0
293.08630	0.9
298.11169	0.6
321.15454	1.1
409.20767	90.9
410.15594	0.6
410.21082	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	7.7
57.03308	5.8
58.00457	3.4
59.01250	78.1
67.56745	1.1
69.03324	1.9
70.54395	1.1
71.01252	84.6
71.56065	1.4
72.01544	1.8
72.99174	5.8
73.02824	24.9
74.61085	1.0
77.83630	1.0
79.95592	2.4
81.95187	1.7
82.88741	0.9
83.01250	16.2
85.02820	36.0
85.99969	1.4
87.00748	3.1
89.02312	42.3
91.75079	0.9
95.01258	3.6
97.02828	4.4
99.00751	11.0
101.02322	82.7
102.02648	1.7
111.00749	6.6
113.02316	24.9
115.03879	2.0
119.03339	2.7
125.02329	5.3
129.01833	2.5
131.03400	27.7
141.01822	2.4
142.29457	0.9
143.03400	4.0
143.54694	0.9
149.04457	12.9
150.04694	1.0
159.02882	4.3
161.04448	19.9
162.04758	1.6
191.05530	1.9
205.03531	1.2
211.13364	2.5
215.05585	1.9
233.06485	5.6
277.16550	100.0
278.16888	9.7
283.06049	1.1
321.15396	1.6
349.22122	1.4
409.20746	63.0
410.21088	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.5
57.03325	4.1
57.33170	0.3
58.00464	1.5
59.01250	30.7
67.01757	0.4
68.91416	0.3
68.99699	0.4
69.03326	1.5
70.84668	0.4
71.01252	52.0
71.56409	0.7
72.01593	1.0
72.99182	2.9
73.02818	31.7
75.00748	1.4
81.03353	0.5
83.01254	13.8
84.02045	0.4
84.97408	0.5
85.02820	29.5
85.99967	2.4
86.03142	0.9
87.00752	3.7
89.02313	9.6
95.01266	3.8
96.95851	0.7
97.02837	3.4
98.28793	0.3
99.00749	12.3
99.04421	0.5
101.02321	63.4
102.02650	1.4
111.00769	1.7
113.02328	22.7
113.09629	0.5
114.02637	0.4
115.03906	2.2
115.11175	1.0
119.03407	0.6
125.02349	3.7
129.01797	1.8
130.62231	0.4
131.03395	3.1
141.01808	0.5
143.03383	2.3
149.04474	1.4
159.02901	4.5
159.04767	1.9
159.10110	0.6
161.04463	23.1
162.04849	0.8
167.39960	0.4
171.50020	0.4
185.11798	0.8
191.05536	0.9
205.03459	1.3
233.06601	2.8
277.16537	100.0
278.16882	8.0
293.08630	0.9
298.11169	0.6
321.15454	1.1
409.20767	90.9
410.15594	0.6
410.21082	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30217	6.8
59.01250	29.6
61.51164	6.2
62.00452	5.7
69.84918	16.6
69.85309	15.9
71.01256	41.5
72.99171	32.6
73.02825	14.1
75.00744	31.3
78.46312	6.4
85.02827	20.5
87.00755	100.0
89.02319	42.2
95.94129	6.2
98.20562	6.9
99.00754	21.3
101.02321	30.0
101.57725	6.1
111.00749	12.0
113.02328	28.1
115.00231	12.2
117.01782	30.0
119.03373	13.0
141.01811	34.3
145.01283	6.9
159.02879	15.0
161.04448	8.1
177.03993	11.7
179.05511	27.3
191.05525	13.5
284.85419	6.3
321.08224	25.0
339.09464	9.0
375.07028	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	408.9872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17818	0.5
57.03345	0.5
59.01272	1.8
71.01270	1.2
71.10605	1.2
89.65540	0.5
94.25849	0.5
95.25333	0.4
101.02320	0.8
134.90424	0.6
152.99577	0.6
182.89735	0.5
242.99358	1.4
270.98822	40.8
271.99191	3.0
277.16608	1.2
285.00375	1.6
286.01129	0.9
298.98318	57.6
299.98669	3.6
312.99911	2.6
314.00668	77.3
315.00949	5.5
329.02997	100.0
330.03369	7.2
408.98547	5.6
429.68109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.35340	0.6
57.48724	0.4
58.99462	1.0
59.01243	1.4
63.11075	0.5
65.19791	0.6
65.39922	0.4
74.98963	0.9
78.95772	100.0
79.95604	1.1
96.45461	0.5
96.95870	1.0
96.96832	9.0
114.14194	0.5
122.65703	0.6
138.95253	0.7
150.97903	1.7
152.99483	86.0
153.99825	1.8
171.00546	63.4
171.10236	1.0
172.00916	1.2
183.01088	1.0
216.73613	0.5
229.19145	0.6
279.23276	0.6
325.18420	3.3
407.22141	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	407.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49884	0.6
59.01250	100.0
60.01604	0.7
69.75960	2.7
69.76360	1.3
71.01255	3.0
72.99174	0.8
73.02824	1.3
78.95782	5.8
79.95610	1.4
80.96413	1.3
85.02829	1.0
89.02356	1.2
96.95891	1.5
96.96828	5.0
97.02831	1.9
101.02373	1.0
101.85915	0.8
107.01275	0.7
113.02319	0.9
117.99055	0.6
119.08634	0.7
123.00816	1.3
125.02322	4.2
127.42899	0.6
137.09602	1.5
141.27158	0.7
149.09584	0.8
155.10696	1.7
161.04517	1.1
167.10690	19.0
167.12067	1.2
168.11037	1.2
169.01353	5.9
170.27116	0.6
285.18787	2.0
303.19595	3.8
329.17688	1.4
332.08252	1.6
347.18625	2.0
348.19055	0.8
407.17804	1.8
407.25589	2.0
408.07852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.1
59.07568	1.8
71.01246	25.2
72.01994	1.8
76.28539	1.9
79.95603	9.4
80.96391	3.1
83.04917	2.8
84.02061	3.2
85.02825	2.4
87.13853	1.7
89.40175	2.0
95.01293	2.2
95.04897	5.1
95.55288	1.7
95.95116	1.8
96.95886	59.3
97.06466	2.8
99.08031	2.5
99.92467	2.1
113.02364	2.9
123.04414	8.5
125.09595	3.9
125.99260	1.9
127.07554	13.7
137.09581	1.7
139.07549	3.8
141.09126	2.2
153.09100	7.4
163.11194	1.9
171.10201	8.9
185.11752	7.9
191.14165	1.8
197.11745	11.3
200.23529	1.9
207.10013	18.8
208.10440	2.7
209.11771	29.1
211.13492	2.2
219.09996	7.1
221.07936	10.8
230.69905	1.8
231.10007	3.6
233.11578	4.2
245.18927	2.4
251.11482	2.4
260.10251	31.5
269.07037	2.2
275.02179	1.8
277.10541	7.2
278.11377	100.0
279.11633	9.3
289.17975	2.0
307.19147	42.7
308.19388	2.4
320.11276	3.9
325.16467	3.5
325.20148	29.4
326.20316	3.2
329.17310	51.4
330.17636	3.2
347.17709	22.5
348.17505	2.5
407.17435	30.5
408.17691	2.2
408.66119	1.8
431.69730	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	407.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	8.8
57.20996	4.3
59.01247	100.0
69.03316	7.5
71.01251	25.2
71.56657	9.6
73.02840	4.8
79.95607	5.5
80.96388	23.2
81.52330	4.4
82.95959	19.3
83.04901	4.7
84.02047	5.2
96.95898	17.7
101.02332	4.5
101.98808	4.3
109.06500	8.8
111.08035	53.7
114.93225	4.1
123.08043	14.9
125.09615	16.0
127.11178	8.6
135.08073	9.7
137.09589	4.8
139.11151	14.5
141.09129	7.0
153.09088	11.9
155.10658	15.3
157.12280	5.2
163.11273	6.4
165.09003	6.1
167.10707	14.8
171.10181	62.9
179.10529	8.7
181.12193	15.3
183.10043	5.1
185.11760	34.0
193.08388	83.6
195.10083	6.2
197.11775	18.6
201.11287	51.3
207.09964	88.3
211.08192	5.1
213.11275	14.0
219.10007	50.4
221.11574	7.3
223.09541	67.3
225.09743	11.5
231.10031	25.5
233.07874	7.1
235.09464	51.2
237.11073	6.4
245.19054	8.8
247.09354	6.6
249.11078	45.8
250.11446	6.8
253.09140	6.3
265.10529	10.3
266.77838	4.6
267.08401	5.8
267.11032	19.7
281.12357	6.3
283.14093	7.4
289.18057	11.9
305.15823	10.0
307.15790	9.0
307.19156	5.8
309.12024	13.3
325.16687	5.8
325.20184	67.4
326.20508	5.8
329.17416	6.8
347.18073	17.8
401.99359	6.2
407.19836	9.8
407.24588	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	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01252	18.8
61.98698	1.5
63.05003	0.6
70.89356	0.8
70.89675	1.4
71.01259	5.0
73.02804	2.4
78.03573	0.7
79.95622	1.2
83.01243	1.9
84.66294	0.8
85.02821	2.6
89.02308	3.0
94.01525	0.7
95.01289	1.2
96.95869	1.5
101.02319	4.1
113.02332	4.0
117.07798	0.7
119.03367	1.6
125.02335	1.5
129.01826	0.8
141.12794	1.2
150.03119	0.7
161.04456	1.4
165.12791	3.3
169.01306	1.1
171.10149	0.8
183.13826	21.5
184.14215	1.5
185.11757	74.0
186.12122	4.1
207.13892	1.1
209.11795	2.3
227.12898	9.2
245.13911	100.0
246.14270	6.2
251.12892	3.2
287.15054	3.6
407.18796	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	407.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.3
59.01251	7.5
69.73016	0.9
69.73425	0.5
70.36636	0.2
71.01260	0.8
71.11494	0.2
78.95764	0.4
79.95605	13.8
80.96381	1.1
85.02821	0.9
89.02308	0.4
95.95103	3.0
96.95886	100.0
97.02824	0.6
98.95500	1.1
98.96356	0.2
99.00719	0.3
101.02337	0.5
107.97303	0.2
113.02336	0.6
125.02306	0.3
126.32343	0.2
129.20177	0.2
136.38739	0.2
137.09628	0.2
152.34381	0.3
161.04399	0.5
171.10173	2.0
176.98579	0.3
179.05502	0.3
183.13773	0.2
197.11792	1.8
199.13292	1.4
201.00565	0.2
211.13313	1.7
229.14398	1.1
235.06422	0.3
239.12695	0.3
279.09070	0.2
291.19577	0.5
299.32330	0.2
303.15729	0.2
309.20743	0.3
327.21744	4.2
347.20844	0.3
407.17419	58.2
408.17798	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	407.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	22.2
66.04544	2.7
66.32522	2.7
71.01235	3.4
71.55756	3.5
71.56092	2.9
79.95606	30.2
80.96394	19.2
89.22139	2.7
95.95090	4.9
96.95889	100.0
96.96505	6.5
104.49116	2.7
129.09126	6.1
171.10164	5.2
185.11757	10.1
197.11732	12.9
209.11800	6.0
255.10422	3.4
322.56171	2.9
327.21814	25.6
328.22153	3.0
342.64508	3.7
407.08765	8.2
407.17407	89.5
408.17651	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	407.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86267	0.4
51.90773	0.5
52.67883	0.5
56.26604	0.5
59.01248	1.7
68.27849	0.4
77.03829	0.9
93.03329	5.4
95.01252	1.0
95.04907	1.6
98.19763	1.2
101.02303	0.9
108.02095	0.6
109.02805	1.3
121.02828	9.4
122.03624	13.7
123.04445	1.2
132.02042	0.9
133.02821	1.8
136.01544	1.6
137.02321	1.6
137.05978	0.5
139.11176	0.5
141.11981	0.5
147.04396	1.0
148.01582	1.1
149.02344	100.0
150.03134	88.4
151.03464	3.3
153.05518	0.7
154.62698	0.5
160.05139	0.9
163.03894	1.2
164.04703	22.6
165.01846	6.3
165.05481	91.4
166.05800	4.4
171.10191	0.5
177.01915	0.7
180.04213	6.7
181.04967	5.9
182.05737	2.2
191.06940	0.5
193.08647	4.7
195.06563	51.6
196.07230	5.3
197.08086	2.2
211.09694	4.0
213.63013	0.5
225.07539	1.1
229.19818	0.5
243.12346	0.7
245.04652	0.8
245.12909	1.6
275.14893	0.7
301.10669	0.6
312.10138	0.9
313.10837	1.0
315.12393	1.3
329.10269	0.7
344.12576	13.1
345.12946	1.6
359.14990	72.7
360.15314	8.6
407.09161	0.8
407.18137	0.7
407.79166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02655	0.4
57.03329	0.5
59.01252	6.0
61.24379	0.4
69.03321	0.7
69.68527	2.4
71.92203	0.3
75.00747	6.7
78.95789	0.6
80.96390	100.0
81.96341	0.5
86.98991	0.5
96.95881	0.4
96.96866	0.7
97.06436	0.5
97.42659	0.4
109.06465	0.6
111.08031	1.3
113.04192	1.1
115.05748	1.6
127.11176	0.4
132.98022	0.4
137.09608	1.8
144.06088	1.1
153.12813	0.6
165.12747	5.8
167.14307	0.4
171.10179	3.9
173.01183	0.6
174.99138	0.8
179.10703	0.5
181.12292	0.5
184.09123	0.5
185.01268	0.5
197.11798	4.3
201.11133	0.5
211.13333	0.5
217.05353	0.4
219.07002	0.4
231.03171	0.4
237.04526	1.0
239.05971	1.6
241.07542	4.5
247.20639	3.7
251.05984	0.7
253.07520	0.7
255.09081	0.6
263.06009	0.5
265.07547	2.9
267.09140	2.7
273.18600	1.9
283.08615	13.5
284.08957	1.4
291.19644	16.8
292.19958	1.1
295.08615	2.2
307.17392	2.0
309.10184	17.0
309.20688	3.1
310.10587	1.5
311.08081	0.5
325.18408	64.0
326.18686	5.8
389.15930	0.5
407.15594	4.5
407.20404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44199	0.5
55.55972	0.5
59.01240	1.2
61.86222	0.4
65.36656	0.4
66.89009	0.5
67.94529	0.4
71.17579	1.1
75.00752	0.9
75.90288	0.4
75.97172	0.4
80.96388	100.0
81.96328	0.5
106.79514	0.4
113.04197	1.0
113.88037	0.6
115.05785	2.4
127.11159	0.9
130.85919	0.6
137.09637	0.8
137.74373	0.4
142.04443	0.6
144.06032	0.8
153.12720	0.5
165.12767	6.1
166.13159	0.5
171.10262	0.7
179.26758	0.5
189.12794	0.4
241.07544	1.2
246.37659	0.5
247.20576	2.4
256.11362	0.8
269.06958	0.8
273.18536	2.0
283.08542	2.4
291.19656	14.8
292.19937	1.4
307.17291	2.2
309.20605	0.5
325.18405	63.5
326.18753	6.8
389.16397	2.5
407.15634	4.8
408.15915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16084	3.8
53.09085	4.8
54.46088	4.3
57.03310	7.0
59.01245	35.5
62.07017	4.1
71.01242	31.2
71.31241	10.1
72.99191	5.8
75.00732	6.1
78.95735	4.5
83.01285	4.1
87.00782	9.4
89.02319	48.4
101.02304	22.1
106.56046	4.3
111.00769	78.8
112.98726	5.4
113.02338	13.2
119.03403	19.3
123.00787	5.5
123.09856	4.3
139.00301	15.3
142.99771	4.3
145.02896	5.0
161.02460	6.6
161.04483	5.6
169.01233	5.4
178.99812	14.6
179.05545	27.9
183.02968	5.6
191.03441	4.5
191.05460	7.4
203.03520	5.2
208.00052	12.9
215.03217	5.2
223.02428	37.9
224.02962	5.1
245.01103	5.3
245.04140	7.2
247.17188	5.5
275.01904	13.1
300.99783	16.1
301.99954	6.2
303.01611	9.0
335.04272	5.2
363.03488	6.4
371.11932	100.0
372.12201	7.4
407.05664	14.0
407.10593	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16084	3.8
53.09085	4.8
54.46088	4.3
57.03310	7.0
59.01245	35.5
62.07017	4.1
71.01242	31.2
71.31241	10.1
72.99191	5.8
75.00732	6.1
78.95735	4.5
83.01285	4.1
87.00782	9.4
89.02319	48.4
101.02304	22.1
106.56046	4.3
111.00769	78.8
112.98726	5.4
113.02338	13.2
119.03403	19.3
123.00787	5.5
123.09856	4.3
139.00301	15.3
142.99771	4.3
145.02896	5.0
161.02460	6.6
161.04483	5.6
169.01233	5.4
178.99812	14.6
179.05545	27.9
183.02968	5.6
191.03441	4.5
191.05460	7.4
203.03520	5.2
208.00052	12.9
215.03217	5.2
223.02428	37.9
224.02962	5.1
245.01103	5.3
245.04140	7.2
247.17188	5.5
275.01904	13.1
300.99783	16.1
301.99954	6.2
303.01611	9.0
335.04272	5.2
363.03488	6.4
371.11932	100.0
372.12201	7.4
407.05664	14.0
407.10593	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94506	1.0
57.03307	1.3
59.01247	40.1
59.23613	1.0
60.01586	5.1
69.86488	6.7
71.01249	4.3
73.02804	4.3
75.15346	1.1
80.39201	1.0
89.02321	2.2
96.69582	1.1
98.19902	1.6
101.02325	1.2
109.15202	1.1
113.02338	2.3
125.02292	2.0
139.11201	10.4
140.11513	11.9
153.01828	2.0
166.81874	1.3
179.03458	1.8
180.04120	1.4
181.01360	2.8
181.12224	3.8
182.12585	8.2
183.10155	13.9
184.10509	17.1
185.02466	1.0
195.06508	1.1
199.13318	4.2
200.13701	7.1
225.11279	2.3
226.11638	5.3
243.12344	59.1
244.12679	100.0
245.12912	5.4
250.11626	2.2
273.00357	1.3
286.13757	3.0
300.99725	1.8
359.14987	2.6
406.17868	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	405.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.9
65.79916	0.5
66.38468	0.5
71.01237	1.1
79.95619	0.6
80.96379	0.8
83.04895	1.7
95.04907	0.6
98.19695	0.9
109.02841	0.7
109.06479	1.0
111.08015	0.7
133.55077	0.6
135.08022	0.8
137.09612	0.9
167.14375	0.6
211.13339	0.8
213.14861	1.0
229.84457	0.8
231.17485	0.7
239.16501	2.5
240.17007	0.6
241.18059	2.9
253.17996	1.0
261.18451	0.8
267.19699	1.4
275.16507	0.7
293.16446	0.6
305.21082	0.8
315.26825	2.0
317.28500	1.3
325.25403	3.1
333.28070	1.6
341.24899	1.7
343.26379	5.3
345.20370	0.8
351.23230	1.1
359.25922	2.4
361.27426	4.5
367.84985	0.6
369.24481	4.1
377.27246	0.9
387.25369	12.2
388.25558	1.1
405.26422	100.0
406.26804	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	405.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
59.01237	3.3
70.44318	1.4
70.44671	0.8
71.01266	0.6
83.04884	1.0
95.04906	0.8
97.06468	0.9
109.06441	0.9
111.08027	0.9
112.37160	0.5
123.08077	0.5
135.08047	1.2
137.09601	1.3
152.99539	0.4
165.12755	0.6
183.13850	0.6
190.73698	0.4
195.17575	0.5
203.14441	0.6
207.17349	0.7
211.13335	1.0
211.17059	1.0
213.14902	2.4
221.15463	0.5
225.65872	0.5
231.17445	1.4
239.16484	2.7
241.18086	1.4
247.13390	0.8
265.18048	1.0
267.19495	0.6
275.16492	1.2
279.59399	0.5
291.19711	0.8
293.20834	0.5
310.79037	0.5
313.25342	0.7
315.26886	2.8
317.28476	1.0
323.22128	2.3
325.25256	3.8
326.25858	1.3
333.27997	1.2
341.24792	2.6
343.26410	3.7
351.23273	1.1
359.25916	3.3
361.27438	2.9
369.24350	4.4
370.24228	0.6
377.27075	1.2
387.25381	11.0
387.30087	1.0
388.25638	1.4
405.26443	100.0
406.26883	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	405.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03313	1.0
58.00460	0.8
59.01252	7.0
69.03327	0.7
71.01249	7.5
71.12443	0.5
72.99176	0.8
73.02816	2.7
78.27546	0.3
79.95606	1.5
80.96389	1.0
83.01258	2.5
84.24199	0.3
85.02821	3.8
85.99980	0.3
87.00746	1.7
89.02307	0.4
90.91972	0.2
92.60704	0.3
95.01273	0.6
96.95882	2.4
97.75022	0.2
99.00766	0.9
101.02319	4.6
102.78106	0.3
111.00768	0.8
113.01643	0.3
113.02327	1.8
114.48055	0.3
124.01528	0.3
125.02386	0.5
129.01830	0.3
139.91049	0.2
157.04187	0.3
171.09990	0.2
197.19096	0.3
225.18533	0.3
241.18085	0.4
243.19621	29.8
244.19962	2.6
257.21124	0.6
278.79779	0.3
285.20645	0.8
319.88229	0.3
387.23874	1.5
405.24908	100.0
406.25266	10.9
421.45108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
57.03324	0.8
58.00465	0.6
59.01252	16.2
68.99706	0.3
69.39401	1.4
69.39804	0.5
71.01254	9.4
72.99187	0.9
73.02817	3.3
73.03189	0.3
75.00742	0.3
79.95607	8.3
80.96394	0.9
83.01254	2.7
85.02818	4.5
85.99964	0.3
87.00744	1.7
87.04404	0.4
89.02323	1.0
95.01276	0.8
96.95884	4.4
97.02820	0.4
99.00774	1.3
101.02323	6.7
102.02698	0.3
111.00779	1.0
113.02327	2.5
119.03343	0.4
124.01518	0.3
125.02341	0.6
129.01846	0.4
149.80051	0.2
159.02969	0.3
161.04460	1.9
178.93759	0.2
183.13713	0.3
185.02524	0.2
197.11684	0.4
241.17979	0.3
243.19617	32.1
244.19952	2.4
252.61777	0.3
257.21146	0.4
285.20709	0.5
329.07468	0.2
345.19107	0.9
387.23920	1.6
388.24246	0.3
405.20233	3.7
405.24869	100.0
406.10950	0.3
406.19916	0.6
406.25235	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	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65835	0.7
56.96350	0.8
57.03329	1.3
59.01252	100.0
60.01574	1.0
61.98713	1.6
69.03320	1.3
71.01254	26.5
72.28080	0.8
72.99164	1.4
73.02821	6.9
74.34872	0.7
75.00749	0.9
79.95617	3.3
80.96407	2.7
83.01263	3.7
83.04879	0.9
84.46536	0.8
85.02821	11.4
85.28335	0.7
87.00752	2.6
89.02317	8.2
91.36015	0.9
95.01287	2.4
96.95902	5.3
97.02813	0.9
98.72079	0.8
99.00754	2.5
101.02323	20.4
107.01277	1.7
111.00700	0.7
112.93588	0.9
113.02334	9.9
119.03391	3.1
123.00756	1.4
125.02332	7.8
129.01839	1.4
129.69731	0.8
131.03358	0.9
143.03378	1.5
151.00357	0.8
156.35892	0.7
159.02888	3.1
161.02437	1.1
161.04454	17.0
165.12761	3.6
168.00517	0.9
169.01328	7.2
171.36307	0.8
175.04108	0.9
189.01811	1.0
225.15074	1.0
233.00876	1.1
243.12605	0.8
243.19643	4.5
261.00589	1.1
289.00040	1.4
300.99976	1.1
329.05838	1.2
345.19153	48.4
346.19510	5.3
387.07416	1.3
405.16190	4.8
405.21222	2.8
405.25345	15.9
406.25507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25808	0.8
57.03324	1.6
59.01249	41.5
70.04012	2.3
71.01261	2.9
73.02823	3.0
78.35564	0.7
85.02824	1.1
98.20534	0.9
101.02299	1.6
113.02335	1.8
139.11180	19.6
148.42665	0.8
163.11218	1.8
165.09164	1.1
181.12251	12.3
183.10188	26.5
184.10530	1.6
199.13336	8.2
200.13806	1.2
225.11217	6.3
243.12340	100.0
244.12578	6.0
249.11205	1.7
285.13354	1.8
405.17612	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03309	1.2
59.01247	31.7
59.36895	0.4
60.27396	0.4
65.74112	0.4
67.14989	0.4
70.04775	1.5
71.01244	4.3
73.02806	4.6
80.24236	0.4
83.01279	2.3
85.02817	1.6
85.80947	0.4
89.02312	1.3
95.01255	0.8
95.04900	0.9
101.02332	3.4
102.25355	0.4
112.72113	0.4
113.02308	3.2
118.07323	0.4
125.02312	0.6
127.76970	0.4
139.11188	22.7
140.11505	0.6
161.04430	0.8
163.11180	1.9
165.09149	1.1
181.12265	14.8
182.12492	0.5
183.10184	27.9
184.10526	1.7
198.32735	0.5
199.13332	8.2
200.13658	0.5
205.12236	0.5
206.25157	0.4
207.10190	0.9
225.11252	9.7
226.11626	0.6
229.49471	0.4
243.12338	100.0
244.12703	6.8
249.11310	1.8
260.26395	0.4
267.12427	0.6
285.13336	4.7
303.54782	0.4
315.14725	0.7
345.15421	0.9
405.17435	1.7
409.32498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
59.01247	31.5
60.01566	0.4
60.62491	0.2
68.53375	0.2
69.03324	0.6
69.61836	0.2
71.01253	7.7
71.33733	0.5
72.62122	0.2
72.99168	0.2
73.02814	6.0
73.68073	0.2
75.00716	0.2
82.37278	0.2
83.01254	0.8
84.06551	0.2
85.02818	3.4
87.00746	0.5
87.04381	0.2
89.02306	1.1
95.01247	1.3
95.04888	0.3
96.95908	0.3
97.02818	2.1
101.02320	7.2
107.46204	0.2
113.02319	5.9
115.03883	0.4
125.02324	0.7
129.05435	0.4
130.89499	0.2
131.03371	0.8
134.31241	0.3
137.09659	0.5
139.11179	17.5
140.11491	0.7
143.03386	0.8
145.02863	0.3
151.00241	0.4
161.02359	0.4
161.04453	3.3
163.11118	0.6
165.09142	0.8
166.02556	0.4
169.01295	0.3
174.98993	0.3
181.04912	0.4
181.12260	10.8
182.12621	0.9
183.10176	21.2
184.10527	1.1
197.11772	0.4
199.13329	7.3
200.13673	0.4
203.97849	0.2
217.01393	0.3
225.11264	8.7
226.11539	0.7
243.12335	100.0
244.12685	6.2
257.13824	0.3
271.03180	0.3
277.03455	0.3
285.13467	3.3
286.13705	0.3
297.13486	1.7
300.99738	0.3
303.00595	0.2
315.14499	3.2
327.14499	0.6
342.10901	0.4
345.15631	0.7
357.13391	1.0
405.17401	3.2
406.17712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01581	2.7
64.89016	2.0
69.03295	2.4
69.60886	17.5
71.01266	11.2
73.02798	4.8
79.95629	2.8
83.01245	6.0
85.02811	5.4
89.02289	4.9
96.95842	2.7
97.02776	2.4
101.02347	11.7
113.02379	4.4
119.03380	3.0
125.61636	2.5
130.08641	2.3
139.11201	6.5
169.01280	3.6
177.01952	2.6
181.12253	6.6
183.10141	15.3
189.01901	2.7
199.13315	5.7
202.63631	2.6
205.01361	4.4
213.47635	2.9
225.11298	4.6
233.00961	3.2
243.12346	52.4
244.12723	2.6
245.00859	2.8
289.00082	3.9
300.99622	3.1
375.19986	3.0
405.07959	5.7
405.16672	5.9
405.21191	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
58.00468	0.7
59.01238	1.0
71.01237	3.1
71.04899	0.6
71.28326	0.7
72.02048	1.0
79.95607	60.5
80.96390	38.4
82.83412	0.5
83.04903	1.1
84.02060	0.8
85.02847	0.6
95.95120	0.9
96.95889	80.8
97.02866	0.7
99.08018	0.9
109.06450	1.0
111.08025	0.6
115.07507	0.7
115.98293	0.6
125.05966	0.6
125.09623	1.7
126.75355	0.6
127.07543	6.0
139.07544	2.2
144.41800	0.6
153.09099	0.9
155.10687	1.3
156.90810	0.5
163.11310	1.3
165.12762	1.2
170.22014	0.6
171.10155	1.0
176.98553	0.6
181.12230	0.7
185.11790	6.8
191.10739	0.6
197.11794	8.4
198.12088	0.5
199.09663	1.2
207.03247	1.9
207.10208	1.0
209.11777	26.0
210.12128	1.2
211.13313	2.4
225.11272	0.9
227.12679	0.6
238.12083	1.6
238.54813	0.6
239.16544	0.6
254.11620	1.3
256.13150	2.3
261.18573	0.6
269.17029	0.5
289.17999	1.6
291.09109	1.3
305.17639	1.6
307.19147	18.8
308.19492	1.5
325.20212	24.0
326.20560	2.3
381.10226	0.6
405.15848	100.0
406.16086	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	405.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86126	0.4
52.69105	0.4
55.87065	0.5
57.49931	0.5
59.01235	0.6
69.94500	2.9
72.22396	0.5
76.57903	0.5
80.96389	100.0
98.20533	0.5
111.02605	0.5
111.08026	0.4
113.04198	5.9
123.08037	0.7
125.00536	0.6
140.02948	1.1
163.11223	1.1
165.12773	2.1
191.14307	3.6
221.11581	0.5
245.19107	3.3
271.17020	0.9
289.18103	13.3
290.18475	1.5
305.15771	0.8
323.16852	58.5
324.17215	7.2
405.13995	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01991	0.3
54.78049	0.3
56.97910	0.6
57.03323	1.3
58.99471	0.8
59.01250	2.7
63.28235	0.3
70.24883	0.3
71.01270	0.3
76.22799	0.3
79.95624	0.8
80.96389	100.0
81.96320	0.4
95.04897	0.3
96.95892	0.4
107.08527	0.7
109.01086	0.7
109.06516	0.4
110.98972	0.8
111.92830	0.7
112.93608	1.6
117.91499	0.4
121.10032	0.3
125.00585	0.6
125.09599	1.4
132.17488	0.3
151.11165	0.8
151.81308	0.3
154.51241	0.3
163.11214	2.6
169.06870	0.6
173.13278	0.8
178.08090	1.1
181.59863	0.4
182.07614	9.3
183.07974	0.5
183.84544	0.4
188.60822	0.3
191.14346	4.0
193.10434	0.6
207.12016	0.4
217.16013	0.4
217.48294	0.4
224.08841	0.5
225.93958	0.3
227.18065	2.2
245.19066	3.8
246.19405	0.5
261.16803	6.3
262.16986	0.4
271.16998	4.8
289.18109	11.1
290.18481	1.0
305.15799	40.5
306.16113	3.9
323.16846	20.1
324.17377	2.0
405.05173	0.8
405.13995	4.7
406.14374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01250	7.7
65.00208	0.8
65.03839	2.7
67.01759	1.8
68.99708	0.9
71.01243	2.8
71.56564	0.4
73.02827	0.8
74.02344	0.4
79.95607	20.4
80.02545	0.6
80.04118	0.3
80.96381	0.4
83.01245	0.5
85.02839	1.4
89.02338	0.9
91.01770	42.6
92.02115	1.3
95.01253	0.4
96.95889	0.9
96.99835	0.4
101.02342	2.0
107.01248	0.6
107.04922	2.2
107.09351	0.4
108.02045	2.8
109.02836	29.9
110.03176	1.2
113.02333	0.9
119.03364	0.4
121.02838	1.3
123.00752	0.6
123.04434	0.9
124.01567	0.3
125.02299	0.7
131.04893	0.4
133.02847	1.2
135.00777	100.0
136.01093	3.7
137.02345	4.2
138.03091	1.1
147.04440	0.5
149.02373	1.7
151.03903	0.6
153.01839	94.0
154.02190	3.6
161.02322	1.3
161.04466	0.5
162.03175	0.4
163.00214	0.4
163.03798	0.4
169.01338	1.3
175.03905	3.8
177.01886	3.4
177.05447	1.1
178.02608	0.7
183.10205	0.4
189.01816	0.7
193.04980	1.0
197.05931	1.0
201.81578	0.3
205.01315	0.4
225.05495	1.3
225.14842	0.7
233.00851	0.4
240.10568	0.5
240.43759	0.3
243.02843	0.7
243.06587	12.8
243.12190	0.5
243.16037	2.9
244.06914	0.8
267.06622	0.8
273.03961	1.3
288.99786	0.8
297.06152	14.1
298.06351	1.3
326.14142	1.1
342.14056	0.4
345.18912	0.4
387.07169	0.4
405.12122	9.3
405.21060	13.0
405.26367	0.7
406.09842	7.0
406.21146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.2
61.98719	1.0
64.79906	0.4
67.03896	0.4
74.02326	1.5
78.95742	0.5
79.95617	1.2
80.96392	3.9
81.03346	0.4
89.02340	0.7
96.95870	0.6
104.03440	0.6
112.93611	0.9
137.09520	0.7
156.11829	0.5
159.03169	0.5
171.03210	0.6
189.79338	0.5
199.02620	2.6
215.02124	3.3
216.00522	0.8
226.01270	0.5
227.01991	0.5
242.00879	1.4
243.01668	2.0
244.00058	1.0
246.61363	0.5
255.01517	0.6
270.00427	1.1
271.01239	1.2
282.00433	1.5
283.99426	1.0
284.02191	0.6
297.00394	4.3
297.99942	9.6
299.00702	86.7
300.01166	7.8
305.15857	1.4
312.01483	16.3
313.02191	5.8
323.16766	0.7
333.55923	0.5
404.07745	100.0
405.08130	12.6
405.13629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	10.9
59.01224	2.2
70.02853	1.6
71.44327	1.0
72.00750	1.8
74.02339	23.4
81.04453	1.4
82.02861	2.4
86.02346	9.5
86.98951	1.4
87.05517	7.7
88.03931	1.2
90.00056	2.2
97.03948	3.8
98.64317	1.2
99.05515	23.2
101.02325	1.2
101.07066	2.7
102.05467	2.2
107.06021	1.4
109.03943	3.5
111.05538	2.5
111.34823	1.0
111.97880	1.1
112.03933	3.0
115.34042	1.1
116.01653	2.2
123.05499	2.5
125.03405	2.7
127.05015	4.1
128.03424	60.3
129.03716	1.2
131.04451	2.2
135.05534	4.2
137.07088	1.3
141.06602	4.6
143.04523	82.6
144.04871	2.3
145.06081	3.3
146.04480	5.7
153.06543	3.8
160.00648	21.4
166.09772	3.6
167.04556	6.2
167.08174	1.7
168.76585	1.1
177.03328	9.2
179.04550	15.0
181.06114	2.3
183.48813	1.1
185.05609	3.2
192.07651	1.8
197.05562	2.2
198.08751	1.7
210.08769	15.5
242.07687	1.6
254.07837	28.6
255.08080	1.7
272.08865	36.1
273.09177	1.9
288.06567	14.5
306.07642	100.0
307.07837	7.1
333.85217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.76720	0.6
57.03313	2.9
59.01249	70.1
60.01577	1.2
67.05411	0.7
71.01252	8.7
72.99170	0.7
73.02820	1.3
83.01259	0.8
85.02819	3.0
87.00746	2.1
89.02309	7.4
95.01235	1.2
96.95897	6.5
99.04404	2.1
101.02320	4.1
113.02328	4.1
119.03396	2.5
119.08537	2.0
121.96558	0.7
125.02290	1.5
125.57668	0.7
131.03479	0.9
133.10136	1.3
133.17635	0.7
135.08028	2.1
135.11682	0.7
137.09619	5.6
155.62001	0.7
161.09630	2.4
163.07559	1.9
179.10670	3.9
181.08611	11.2
182.97438	1.2
197.11757	49.7
198.12094	3.2
205.08691	0.8
223.09720	6.0
237.70389	0.7
241.10777	100.0
242.11118	6.1
242.17924	0.6
245.00746	0.9
265.10706	0.8
273.00476	0.7
283.11850	2.1
305.02991	0.9
352.19138	0.6
403.15842	5.3
404.16238	0.8
428.61234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18702	0.5
57.03336	0.9
58.57465	0.6
59.01250	100.0
61.98698	1.4
70.40705	1.7
71.01250	6.5
72.99191	1.4
73.02826	1.9
75.00739	3.1
80.96416	0.8
83.01283	0.5
84.57178	0.7
85.02817	3.0
87.00749	0.8
89.02337	1.5
95.01296	0.7
96.95864	1.1
98.20499	0.8
99.00780	0.7
100.48562	0.6
101.02356	3.6
110.97742	0.6
112.93597	0.6
113.02355	2.6
115.00251	1.2
115.41158	0.7
117.05149	0.6
135.02939	0.9
161.04475	3.2
167.10760	0.7
169.12288	0.7
171.10225	1.4
173.26169	0.6
175.02409	1.2
195.13969	1.1
197.11795	1.8
231.82529	0.8
239.12912	2.1
283.11816	3.1
285.13480	5.3
286.13788	0.8
315.14655	1.4
343.14035	0.8
403.06595	1.2
403.19797	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	403.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53370	9.8
58.58194	11.3
59.01257	59.2
61.98703	24.1
68.75524	10.9
69.30798	100.0
71.01240	30.1
78.95805	14.3
79.05864	10.4
79.95595	21.8
80.54120	9.7
88.57669	11.6
89.02370	10.1
96.95895	30.0
98.19815	19.5
101.02321	20.2
107.65353	9.7
121.02845	15.0
148.45972	11.8
180.97710	13.5
187.03870	10.7
194.46793	12.8
242.02177	12.5
248.10767	15.3
271.02414	13.8
271.06238	15.4
291.29807	10.6
380.73666	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	401.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32108	0.7
54.62585	0.7
56.31344	0.6
56.72446	0.7
59.01250	100.0
60.01591	1.7
68.24644	0.6
70.69330	0.6
71.56946	1.1
78.86800	0.9
78.95798	1.2
96.95944	1.1
97.06510	1.2
102.05486	5.5
121.02837	17.9
121.03667	1.1
122.26817	0.8
225.05563	1.5
281.25064	1.1
305.24820	1.4
313.07227	4.1
319.23041	1.7
336.97592	0.7
341.27042	4.7
357.06140	1.5
401.09070	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	401.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57131	0.6
59.01250	100.0
60.01581	1.1
63.96119	1.1
71.48777	0.7
71.49124	0.9
73.58298	0.8
78.95786	1.1
79.95622	2.2
93.59425	0.6
96.95906	1.7
121.02842	14.6
164.23947	0.6
181.06604	0.9
213.53773	0.6
226.05978	0.8
240.12228	0.7
281.24921	1.0
293.24811	1.0
305.24927	1.1
313.07169	4.2
341.10907	1.3
341.27002	2.8
342.27582	0.8
357.05963	1.2
380.50555	0.7
401.08618	3.4
401.20596	2.6
405.47473	0.6
411.02853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59827	0.9
52.90569	0.7
57.03317	0.9
57.57461	0.7
58.02849	18.0
59.01253	46.5
69.84763	0.8
70.02818	0.9
71.01254	16.8
73.79379	0.7
88.03915	88.5
89.04240	1.4
97.06420	1.7
98.06028	1.2
99.04360	0.9
101.02327	0.9
106.89597	0.7
112.03922	1.8
113.02386	0.7
114.01889	4.6
115.00257	16.9
123.11279	0.8
130.05003	17.1
132.02914	22.4
149.09605	0.9
156.02913	1.2
167.10724	6.1
174.04036	6.6
209.11786	3.5
225.14990	2.3
226.14481	0.8
227.12836	11.6
230.38490	1.1
238.14568	0.8
241.10785	2.0
268.15552	1.7
269.14041	2.8
270.90353	0.8
278.17392	1.0
286.16589	28.1
286.19800	1.5
287.14911	31.9
288.15399	2.4
298.16641	2.1
340.17636	7.1
342.15503	1.6
358.14618	0.8
358.18735	3.2
379.73187	0.8
384.16577	7.8
402.17697	100.0
403.18063	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	401.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14322	0.9
59.01248	100.0
64.05858	1.1
64.88902	1.2
69.03328	2.4
69.27773	4.4
69.28198	6.8
71.01250	2.6
74.76543	1.1
78.95765	1.1
79.95610	1.5
89.02287	1.5
90.50323	1.1
95.01315	1.0
96.95908	1.5
101.02303	2.7
113.02354	1.2
119.64250	1.0
121.02843	27.9
137.09608	3.4
161.04523	1.2
171.10155	9.3
181.06543	1.4
193.08382	4.5
225.05516	1.7
264.20538	1.2
272.96613	1.0
313.07120	7.9
314.07605	1.2
338.27100	1.0
341.23233	6.8
341.26752	2.2
357.06125	3.4
401.08835	7.1
401.19025	13.5
402.19061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01741	0.6
55.64698	0.3
57.03316	0.6
59.01250	8.6
65.00175	0.5
67.01745	1.2
67.73082	0.3
69.03324	0.6
71.01247	5.2
72.99161	1.0
73.02802	1.5
73.29592	0.3
79.01755	1.5
82.91823	0.3
83.01260	1.8
85.02806	2.2
85.99971	0.4
87.00746	0.3
89.02316	1.5
95.01253	2.2
97.02807	0.9
99.00740	0.9
101.02322	4.5
107.01256	3.3
109.99989	0.4
111.00773	3.0
113.02335	2.1
115.03648	0.3
117.03338	1.0
119.03371	0.4
121.02845	0.4
123.00764	17.0
124.01545	1.2
125.02336	14.8
126.02679	0.6
127.00234	1.0
136.98663	2.1
137.02347	0.5
139.00258	5.9
140.01056	4.1
141.01843	3.0
149.02292	0.5
151.00272	12.2
153.01859	0.8
154.99782	0.5
161.02368	0.8
163.03908	1.0
168.00525	5.0
169.01340	17.3
170.01620	0.8
181.04921	0.5
191.03258	0.4
209.04625	0.4
253.03394	0.4
268.03781	0.6
269.04489	0.9
273.00348	0.6
281.04501	1.4
282.05264	1.1
283.06064	3.4
295.06067	1.0
299.99103	1.3
311.05585	5.0
312.06030	0.6
313.05661	0.7
323.05612	1.1
325.07498	0.3
341.06641	4.7
342.06839	0.4
371.00403	0.6
383.00577	0.5
383.07690	0.6
401.01373	3.1
401.09201	5.3
401.14462	100.0
402.01669	0.6
402.09213	1.0
402.14774	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	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01756	5.1
57.03327	6.2
58.00465	4.1
59.01250	67.8
60.01566	1.0
68.89206	0.7
68.99684	1.0
69.03331	2.5
71.01252	100.0
71.36459	1.1
72.01579	1.6
72.99179	6.0
73.02816	25.5
75.00749	1.4
81.03329	1.6
83.01257	17.1
85.02821	45.3
85.99964	0.8
87.00759	5.0
89.02313	43.7
95.01266	4.0
97.02812	4.0
99.00754	11.1
101.02320	67.0
102.02624	0.8
102.34197	0.6
107.04910	0.9
109.02855	0.8
111.00766	12.3
113.02335	28.3
115.03894	3.0
119.03408	2.0
121.02823	0.7
125.02321	8.1
129.01849	1.8
131.03397	24.8
137.02293	0.8
142.95152	0.7
143.03395	4.7
149.02434	0.7
149.04445	11.5
159.02864	4.6
159.42740	0.7
161.04466	28.3
161.05824	1.4
162.04808	1.2
163.00209	0.8
164.53874	0.7
165.01877	0.9
169.01314	1.1
178.02646	0.7
179.03455	0.8
190.99754	1.7
191.05608	2.6
205.03410	1.5
206.02144	2.4
214.99738	0.8
215.05582	1.2
221.04512	3.3
233.06645	6.8
245.55649	0.6
251.09239	1.2
269.10303	50.3
270.10477	3.3
293.08810	1.8
371.62296	0.7
401.14511	43.8
402.14859	5.1
404.53217	0.7
418.43619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27166	0.8
55.01758	5.5
57.03328	4.0
58.00470	1.0
59.00949	1.6
59.01244	27.7
65.49459	0.6
69.03310	1.2
70.94740	2.2
71.01250	73.9
71.29495	0.7
72.01594	1.0
72.56619	0.8
72.99171	3.0
73.02814	24.2
75.84702	0.7
77.65101	0.8
81.03282	0.9
83.01252	10.4
85.02818	35.5
87.00744	3.2
87.86575	0.7
89.02309	8.9
90.05436	0.7
95.01260	5.9
96.95876	0.7
97.02824	2.5
99.00760	9.0
101.02319	57.5
102.02663	1.0
111.00757	1.7
113.02326	27.0
115.03924	0.8
123.00787	0.8
125.02322	6.1
131.03387	2.2
143.03419	4.2
147.74365	0.8
149.04561	1.2
151.88190	0.8
159.02896	5.5
161.04454	53.2
162.04805	1.4
166.99773	2.2
167.12485	0.8
169.01257	2.2
189.50290	0.8
191.05643	1.1
200.44931	0.9
205.03445	3.5
258.47751	0.8
269.10281	100.0
270.10632	8.8
300.07739	0.8
313.09351	1.4
341.10901	1.0
401.14368	9.4
402.14920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	73.5
62.18078	10.6
63.43792	10.5
69.87008	23.8
69.87418	43.2
71.01246	47.2
83.01250	11.8
85.02844	13.3
87.00731	19.7
89.02334	64.1
98.19804	25.1
101.02324	24.5
113.02326	29.8
119.03384	22.5
168.07382	11.7
179.05527	20.9
179.07056	16.5
265.07315	18.5
283.57288	12.2
341.10910	100.0
357.20599	14.0
387.44742	12.5
398.17200	11.2
401.11292	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	399.2021
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
55.01746	2.0
57.03319	2.2
58.00019	0.5
58.00467	3.2
59.01252	56.0
70.96180	1.2
71.01253	37.7
72.99178	3.8
73.02818	4.2
75.00763	0.6
79.95648	0.7
80.96392	0.7
82.86659	0.6
83.01264	4.3
85.02826	12.4
87.00750	2.0
88.03881	0.6
89.02313	26.9
90.02613	0.5
95.01251	4.0
96.95893	1.0
99.00751	2.0
101.02325	23.7
110.98833	0.5
113.02328	12.7
116.89552	0.5
119.03387	9.4
125.02316	0.6
131.03419	0.5
143.03369	1.3
149.04474	0.5
152.79475	0.5
159.02892	0.5
161.04524	2.8
171.10193	0.5
175.14827	1.7
179.05554	0.9
180.86017	0.6
219.10150	0.6
219.13843	5.0
237.14938	4.4
264.74951	0.5
274.54266	0.5
300.99918	0.6
327.01440	3.5
327.21744	1.7
381.19189	1.6
399.07944	3.3
399.20190	100.0
400.07425	0.8
400.20499	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	399.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42582	0.3
55.01757	6.4
57.03321	5.9
58.00468	3.4
59.01250	64.6
60.01585	0.5
68.99691	0.7
69.03320	1.3
69.29697	2.4
69.30123	1.2
71.01253	100.0
72.01599	1.8
72.99185	4.7
73.02820	27.0
74.03183	0.4
75.00746	1.5
80.96399	0.5
83.01258	13.6
84.02052	0.6
85.02824	39.0
85.99977	0.7
86.03148	1.1
87.00745	3.9
89.02318	40.8
90.02687	0.7
95.01256	6.6
97.02843	2.1
98.19829	0.8
99.00760	11.2
99.01414	0.6
101.02325	69.8
102.02668	1.7
111.00770	2.4
113.02331	39.6
114.02675	0.9
119.03391	18.2
125.02344	1.6
129.01854	1.3
131.03403	1.7
143.03412	3.6
149.04440	1.1
149.25063	0.4
159.02904	7.3
161.04465	27.5
162.04810	0.9
167.14294	0.8
179.05550	2.3
205.03484	1.1
237.18675	0.4
310.01028	0.4
327.01385	4.4
328.01874	0.8
339.04849	0.7
367.04343	0.5
399.07196	4.6
399.23874	21.7
400.07339	0.7
400.24155	2.2
404.24637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.072
Annotation	4-Demethylpremithramycinone
Peak:m/z	Relative Intensity
50.21285	0.2
51.58790	0.2
59.01242	1.2
61.37907	0.2
69.55045	0.9
69.55467	1.3
71.01258	0.9
85.02856	0.4
88.26878	0.3
89.02305	0.8
91.03076	0.3
95.01299	0.3
96.95894	2.0
101.02340	0.7
110.92820	0.3
113.02370	0.3
119.03381	0.6
123.00822	0.3
124.01512	0.3
140.66211	0.3
145.02896	0.3
146.03618	0.4
172.01482	0.3
173.02347	0.3
174.03101	0.4
176.00970	0.5
177.01825	1.0
183.04422	0.4
187.03810	0.3
189.01848	0.8
190.02655	2.5
193.01344	2.5
197.05974	0.3
198.03230	0.5
199.03836	0.3
200.01085	0.8
200.04605	0.3
201.01868	0.7
202.02611	1.4
203.03387	0.8
204.00612	0.4
205.01347	0.8
211.03880	0.7
213.01897	0.8
214.02611	0.8
215.03409	0.6
216.00659	0.3
216.04153	0.5
217.01317	0.5
218.02107	1.7
221.00842	5.1
222.01556	0.5
223.07780	0.3
224.04642	0.6
225.05565	0.5
226.02730	0.5
227.03368	1.3
227.10655	0.3
228.00613	2.0
228.04167	0.5
229.01318	1.1
230.02180	1.1
231.02805	0.6
235.04169	0.3
237.05473	0.5
237.09122	0.5
238.06293	0.3
239.03500	0.7
240.04236	0.6
241.01401	0.7
241.04974	0.4
242.02226	1.8
243.02820	1.4
244.00070	0.3
244.03731	0.3
245.00874	1.4
246.01627	0.8
249.05513	0.4
251.03406	0.6
251.07138	0.5
252.04193	0.5
253.05075	1.2
253.08691	0.6
254.02187	0.6
254.05705	0.5
255.02969	0.8
255.10220	0.6
256.03638	0.9
257.00894	2.5
258.01645	2.9
259.02411	1.1
263.03381	0.5
264.04126	0.4
265.05048	0.5
265.08710	0.5
266.05637	0.3
267.02756	0.4
267.06555	0.5
269.01035	0.4
269.04401	0.4
270.01727	0.5
271.02512	1.3
271.09674	0.7
273.00381	2.0
274.01169	26.5
275.01456	1.8
277.04742	0.3
279.03046	2.0
280.03677	0.8
281.04489	1.5
281.08139	1.0
282.01630	0.8
282.04861	0.4
283.02554	2.0
283.09726	0.8
284.03278	1.8
285.00375	0.9
286.01141	0.9
287.01917	2.1
288.02628	1.1
291.06622	0.4
293.04642	0.7
294.05402	0.5
295.05780	0.4
296.03192	0.3
297.04324	0.4
299.02011	4.2
299.09296	0.6
300.02673	2.4
301.02902	0.4
308.03262	1.7
309.03952	1.5
309.07654	3.1
310.08176	0.5
311.01978	0.6
311.09308	0.6
312.02747	1.9
323.05515	0.9
325.03497	2.7
326.04254	1.5
327.08765	1.0
337.07077	4.2
338.07864	1.4
340.05972	0.6
355.08203	100.0
356.08572	11.6
399.07147	9.4
399.21988	2.6
400.07513	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	397.0566
Annotation	Arteminorin C
Peak:m/z	Relative Intensity
53.59483	0.8
59.01250	9.6
65.60027	0.8
70.09996	2.9
71.01253	7.0
73.02816	1.7
79.95608	1.1
85.02823	1.3
89.02299	4.2
96.95901	3.1
99.00782	0.9
101.02311	5.6
113.02302	2.6
140.83954	0.9
159.00772	1.2
160.01616	1.6
161.04457	2.4
172.01582	1.3
187.00371	1.5
188.00998	1.3
199.00357	1.2
200.01021	3.1
214.99800	4.8
216.00577	3.7
217.00331	1.8
220.85735	1.0
232.97653	1.2
233.11835	0.9
242.99307	16.8
244.00044	3.9
270.98828	62.9
271.99228	5.6
282.98770	1.6
298.98325	47.1
299.99081	100.0
300.99454	7.6
355.08487	0.9
394.43069	0.8
397.05618	93.5
397.21851	2.1
398.05811	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	397.1136
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
51.46657	0.7
60.96996	0.7
65.24210	0.7
66.96706	0.6
69.85648	0.6
70.79059	0.9
70.79420	2.1
70.83763	0.6
83.04903	1.0
85.02813	2.0
91.05399	0.9
91.35138	0.7
93.03329	3.8
93.87705	0.8
104.17224	0.7
111.04375	2.5
117.03325	1.6
119.04881	0.8
121.02841	12.3
126.44878	0.6
127.66258	0.6
132.02032	1.7
141.40547	0.7
147.04393	5.9
147.39343	0.7
149.02339	74.3
150.02657	2.9
155.03415	3.3
163.03961	0.8
164.04691	57.3
165.05003	3.7
173.04478	5.9
179.07034	5.1
191.05534	5.4
218.44350	0.7
223.06056	100.0
224.06378	7.0
225.39621	0.6
235.30420	0.8
267.81912	0.7
273.00375	0.8
397.11377	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	396.987
Annotation	Gossypetin 3-O-sulfate
Peak:m/z	Relative Intensity
56.72842	0.3
59.01257	0.8
63.02269	2.4
65.00187	3.6
69.26058	3.3
81.03358	0.4
83.01244	2.7
107.01270	8.2
109.02841	6.8
123.00736	0.4
125.02322	2.3
135.04454	0.3
137.02342	21.2
138.02669	0.9
147.72324	0.3
151.00272	34.1
152.00671	1.1
153.92921	0.3
163.00281	1.0
164.00980	0.5
165.01849	1.8
169.01344	4.3
178.99777	25.3
180.00113	1.1
190.99742	0.4
192.00516	2.2
193.01381	1.7
210.25041	0.3
227.03487	0.9
261.04062	0.4
271.02496	1.2
289.03577	0.8
298.73953	0.4
299.02090	0.5
307.07877	0.3
317.02997	100.0
318.03305	8.3
349.89011	0.3
396.93430	0.7
396.98651	13.8
397.99240	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	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.6
57.03317	4.9
58.00473	3.2
59.01249	71.5
60.01583	1.3
61.57293	0.6
61.98702	0.7
69.03316	2.3
69.52390	4.2
71.01250	83.7
72.01586	1.3
72.99181	5.6
73.02818	23.4
75.00745	1.4
75.99066	0.6
81.03341	0.8
83.01255	16.4
83.96832	0.6
85.02821	36.3
85.99978	2.1
86.03133	0.7
87.00750	5.7
89.02314	37.5
95.01244	4.5
97.02827	3.3
98.19755	0.7
99.00752	9.6
99.08015	0.9
101.02318	72.7
102.02674	1.6
111.00767	7.5
113.02330	22.1
115.03848	1.3
119.03371	1.1
121.02842	0.6
123.04410	0.6
125.02331	4.7
127.78201	0.6
129.01805	2.7
131.03392	28.1
143.03392	4.1
149.04451	9.9
151.48491	0.6
159.02927	3.3
161.04465	16.6
169.01329	0.8
173.04303	0.8
191.05560	1.4
202.03220	0.7
205.03416	1.6
215.05609	1.2
233.06680	5.7
245.13928	1.1
263.14975	100.0
264.15335	6.9
275.50616	0.6
307.14005	1.5
317.02933	0.6
395.19205	60.0
396.19495	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	395.1924
Annotation	Creoside IV
Peak:m/z	Relative Intensity
53.63840	0.4
55.01754	5.5
57.03329	4.2
58.00470	3.1
59.01250	60.1
60.01581	1.0
61.98692	1.1
64.53754	0.5
68.69718	0.4
69.03325	2.2
69.52639	1.6
69.53065	1.7
70.88702	0.5
71.01253	69.3
72.01591	1.2
72.99184	5.5
73.02818	18.7
75.00766	1.3
81.03319	0.6
83.01256	14.5
85.02821	30.3
85.99965	1.3
86.03180	0.7
87.00737	3.8
89.02317	36.4
90.02677	0.7
90.67193	0.4
95.01266	3.5
97.02833	2.8
99.00755	8.9
99.08047	0.8
101.02321	70.3
102.02661	1.8
111.00767	6.5
113.02332	22.7
115.03902	1.8
119.03372	1.3
125.02348	4.6
127.03922	0.6
127.67676	0.4
129.01833	2.0
131.03400	27.1
141.01820	0.6
143.03378	4.0
146.48848	0.5
149.02692	0.5
149.04463	10.6
155.03313	0.5
159.02928	3.9
161.04462	17.7
166.99828	0.8
167.67532	0.4
169.01299	0.7
171.10204	0.5
173.04494	0.5
182.12810	0.5
191.05505	1.4
205.03461	0.8
210.78685	0.5
215.05505	1.3
233.06598	4.9
245.13753	1.1
263.14984	100.0
264.15329	7.4
289.64355	0.6
293.08734	0.9
307.14084	1.4
317.02930	0.6
331.04590	0.9
395.19202	62.4
396.19641	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36682	14.5
69.59669	100.0
69.60085	29.9
79.19876	16.8
81.04475	19.2
98.19833	36.7
105.13276	17.3
138.82126	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	395.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.5
59.17781	1.6
61.98682	2.0
66.65270	1.6
95.01266	2.5
117.03329	3.5
119.01270	2.1
122.16336	1.8
122.17245	1.6
123.00751	1.9
125.02305	2.0
131.04993	2.2
132.02057	2.8
137.66573	1.8
143.01244	2.4
143.04816	2.9
145.02827	6.3
147.00755	4.7
147.04472	1.8
154.86067	1.7
158.68883	1.7
159.04401	5.7
160.01563	3.9
160.51736	1.7
162.03099	2.2
163.00204	2.1
163.03937	2.3
171.00778	18.0
171.04422	2.6
172.01530	8.7
173.02347	9.4
174.03065	2.8
175.03868	4.7
176.01094	4.4
185.02341	3.3
187.00388	3.1
187.03870	4.3
188.01039	3.3
189.01793	4.1
191.03448	3.9
199.00331	11.8
200.01030	15.1
200.02621	2.4
201.01846	25.3
202.02374	2.4
202.99786	5.7
203.03476	4.2
214.99825	3.1
215.03513	3.4
216.00549	12.3
216.04068	3.1
217.01233	5.4
217.98448	2.3
218.99298	4.2
219.02882	7.4
226.99828	26.0
228.00629	11.7
229.01332	20.4
230.01862	3.5
230.99294	3.5
231.02986	5.5
232.03735	2.3
233.04535	6.2
242.99200	2.2
243.02937	8.7
244.00092	11.1
245.00877	16.0
246.01445	2.5
247.02289	2.5
249.00330	2.1
249.04077	3.0
251.01923	2.4
254.99329	29.0
257.00894	9.4
259.02426	17.1
260.03159	11.3
261.00305	2.0
261.03912	4.3
263.01932	7.7
264.51401	2.0
271.99609	14.3
273.00092	2.1
275.05582	17.8
277.03577	2.8
278.04193	5.0
287.01978	43.0
288.02512	7.4
289.03503	15.0
290.00653	6.2
291.01407	1.8
291.05057	4.2
292.05646	2.4
303.01575	3.1
304.02243	7.5
305.02942	2.6
319.00995	3.4
319.04541	33.8
320.05072	4.5
322.03204	4.8
331.01007	8.3
351.07257	5.0
363.03555	100.0
364.03983	9.9
395.01270	2.7
395.06195	32.6
396.06546	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	393.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92548	11.2
59.01252	100.0
71.01237	16.0
71.56840	19.8
79.95604	57.3
80.96381	21.8
87.04395	14.9
89.02324	14.1
96.95868	16.9
101.02316	14.9
106.41094	11.4
112.93606	70.0
125.02316	35.6
169.01328	35.3
170.03157	12.1
183.13792	37.5
209.11725	22.6
217.00310	13.1
276.92712	11.0
341.07303	20.9
363.42831	10.8
393.19177	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14929	0.3
58.00467	0.6
59.01250	100.0
60.01585	1.2
64.76312	0.3
69.37314	3.2
71.01254	7.8
72.99193	0.8
79.95616	0.6
85.02845	0.8
89.02313	12.0
95.01299	0.4
97.58389	0.3
101.02314	3.7
113.02322	3.7
119.03388	3.8
125.02353	0.7
131.03439	0.4
143.03426	1.0
161.04454	0.5
162.12413	0.3
169.01401	1.1
179.05580	1.5
188.86107	0.4
247.83763	0.3
361.48477	0.4
377.42603	0.4
393.04562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14836	0.5
59.01250	100.0
60.01583	1.0
71.01254	7.9
71.33412	0.7
72.99183	0.5
78.80336	0.5
79.95609	0.9
85.02840	1.2
89.02317	12.0
89.02827	0.8
101.02318	3.8
109.36295	0.4
113.02324	3.3
119.03394	5.1
131.03331	0.5
131.07832	0.5
143.03450	0.9
149.04460	0.6
156.87462	0.6
161.04500	0.5
166.14824	0.5
167.72267	0.5
169.01360	0.7
179.05586	2.1
220.73630	0.6
350.52969	0.5
406.34247	0.6
414.03900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1192
Annotation	Fortuneanoside A
Peak:m/z	Relative Intensity
54.06099	0.2
59.01250	2.8
71.01241	0.7
71.56274	0.3
73.62627	0.2
78.75707	0.2
78.95804	0.2
83.01251	0.3
85.02834	0.3
89.02299	0.3
93.04118	0.2
96.95894	0.3
101.02326	0.7
113.02311	0.3
123.04452	0.2
125.02335	0.2
130.04135	0.2
144.05669	0.4
145.06491	1.6
159.04437	0.3
159.08060	0.8
161.04439	0.2
169.01285	0.4
175.03864	0.3
179.90016	0.2
187.07585	6.0
188.04706	1.6
188.07939	0.4
189.03760	0.2
189.05498	4.2
191.03387	0.2
209.11790	0.3
213.05544	0.2
215.03476	0.2
231.06587	100.0
232.06911	7.0
307.73135	0.2
393.11652	0.4
393.16412	0.2
393.21127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25039	0.5
59.01248	13.3
65.00193	0.6
65.49950	0.5
69.39554	2.9
69.39986	1.6
71.01244	3.0
73.02821	0.8
85.02831	0.7
89.02304	2.0
91.01771	0.5
95.69801	0.5
96.95892	0.5
98.20579	0.9
99.00769	0.9
99.91567	0.5
101.02307	2.0
112.93649	0.6
113.02307	1.4
117.03355	0.9
119.03396	0.8
123.00797	1.1
125.02323	1.7
129.03378	0.9
130.00464	0.8
130.04112	0.8
131.01180	0.5
131.04904	0.8
132.67569	0.6
133.02814	0.5
143.01286	1.7
143.04893	0.6
145.02837	2.0
147.00749	1.1
147.04430	1.2
148.01599	0.8
155.03413	1.2
157.02841	1.8
158.03606	2.4
159.00882	0.8
159.04323	1.0
161.02322	1.2
161.04442	1.0
163.00249	0.8
169.01334	1.2
169.02805	0.6
170.00040	0.8
171.00790	8.4
172.01530	0.7
173.02316	2.2
173.40207	0.5
173.99524	0.6
175.00426	0.7
175.03827	1.9
176.01048	1.2
177.01866	0.6
185.02347	1.5
186.03090	1.4
187.00296	5.0
187.03908	1.5
188.01042	0.9
188.77141	0.5
189.01848	1.8
190.02737	0.7
190.99757	0.9
191.03392	0.6
197.99545	3.3
199.00302	11.4
200.01038	2.6
201.01854	2.3
202.02599	1.6
202.99745	1.1
203.03404	2.8
205.05022	0.8
208.84866	0.5
213.01923	1.2
213.98923	1.2
214.02676	1.2
214.99800	22.6
215.03230	1.1
216.00455	3.7
217.01125	1.0
217.04962	0.6
218.02299	1.2
219.02959	2.6
225.99020	1.3
226.99760	4.5
228.00395	1.2
229.01433	2.5
230.02173	5.3
230.99312	2.8
231.02922	3.1
233.04538	1.3
234.01764	0.7
241.98526	5.5
242.02345	0.7
242.99330	11.1
243.03006	1.4
243.99950	1.7
245.00824	0.9
246.01656	3.1
246.05247	0.8
247.02426	3.3
248.02960	0.8
253.98561	2.2
254.99290	2.1
257.00870	3.0
258.01691	16.1
258.98819	1.7
259.02414	10.6
259.99536	1.1
260.02853	0.7
261.04007	4.4
262.04745	3.5
269.98062	3.8
270.98538	0.8
273.04047	1.0
274.01178	12.6
275.01944	15.7
275.04999	0.5
276.02393	1.5
285.00333	1.9
285.97678	1.1
286.01157	7.6
286.98355	5.0
287.01904	3.8
289.03458	3.9
290.04395	2.5
291.04895	0.6
302.00714	4.8
303.01462	2.7
306.03696	0.8
317.03000	17.2
318.03717	9.1
319.01114	0.8
319.04581	1.9
321.06210	0.6
333.02451	1.3
334.03220	1.2
349.05597	4.9
361.01984	2.1
365.05157	1.3
392.27365	1.1
393.04614	100.0
393.21219	6.4
394.04944	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	391.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75399	1.1
59.01248	100.0
71.01241	5.1
71.56697	1.9
79.95593	8.2
80.46944	1.1
80.96397	6.1
83.04891	2.7
89.02303	1.3
95.95123	1.1
96.95885	47.0
98.95465	1.9
111.00761	2.9
123.08056	5.6
125.02378	1.3
148.54372	1.1
151.11211	12.0
161.04407	1.5
171.10106	1.4
174.99155	2.8
190.98590	1.9
195.75618	1.1
201.30672	1.1
211.13290	1.4
217.00255	10.0
217.16040	1.9
224.72032	1.1
287.20242	6.8
293.21317	1.5
309.15234	2.7
311.22339	1.2
331.18921	3.1
391.17932	21.2
391.29694	1.8
392.18124	1.8
407.42480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.4
59.01248	41.8
62.48100	1.0
69.03326	6.2
70.32108	2.5
83.04884	2.3
96.95869	1.1
97.90826	1.0
99.92433	1.4
107.08565	1.2
111.08038	13.1
115.87452	1.2
119.08548	11.6
125.09582	2.2
127.11147	1.8
135.08067	2.5
137.09613	32.8
138.09998	1.9
139.11142	2.5
147.11665	4.1
153.08992	1.9
165.12738	4.5
167.10616	1.2
169.12270	2.7
171.10173	100.0
172.10487	5.1
172.77985	1.1
174.99208	1.7
179.10515	2.5
193.08386	16.4
197.09962	2.3
197.11754	46.7
198.12146	2.1
199.13210	1.6
201.11220	8.9
207.09970	25.9
211.13322	2.7
215.10493	6.5
217.00249	12.6
219.09901	4.3
223.11794	2.4
225.09750	4.7
229.19705	1.6
233.11552	67.4
234.11908	3.9
237.09566	1.7
249.13559	1.8
251.11319	2.6
263.20129	1.3
265.18103	2.1
267.10889	14.2
268.11224	1.4
273.18625	4.3
279.10916	1.8
291.19626	15.1
293.12390	11.1
309.20709	40.4
310.20956	4.8
313.17822	14.7
331.18701	4.9
391.20807	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	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.5
59.01248	47.9
69.03326	3.2
71.43198	2.0
71.43516	2.1
73.02839	1.5
73.13243	1.8
83.04897	2.2
93.03305	1.7
95.74905	1.4
97.02822	2.0
99.92460	4.1
109.06465	3.1
111.07278	2.8
111.08036	47.4
112.08379	1.9
127.07508	3.0
130.24831	1.5
137.09560	1.6
151.11176	7.5
153.12755	2.7
165.12773	7.1
167.10704	1.8
169.12225	8.7
171.10133	2.8
193.85878	1.5
197.11760	100.0
198.12157	7.1
199.13307	6.0
211.13297	11.0
215.10448	4.8
217.00198	4.4
219.09959	89.7
220.10286	5.1
231.10008	1.8
233.11548	48.4
234.11812	3.3
237.09848	1.8
249.09668	1.6
249.13399	4.4
251.11343	14.5
252.11620	2.0
263.20129	4.8
265.17923	3.4
279.10858	2.2
287.16241	2.6
291.19638	20.3
292.19940	3.2
293.12436	19.8
294.12631	2.6
309.20676	83.9
310.21030	9.3
312.98990	1.5
313.17935	3.4
323.05936	3.1
331.18869	33.1
332.19247	5.8
375.17838	5.3
391.20163	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	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71341	1.0
59.01249	17.3
59.53730	1.1
69.03316	2.9
69.63687	4.7
69.64121	3.0
81.03326	1.8
92.09817	1.4
93.03352	3.0
97.02815	14.1
97.06473	2.0
125.09647	2.2
137.09610	6.8
151.07555	3.7
152.08359	2.5
163.11211	3.5
165.12776	6.6
166.01155	3.5
171.10193	5.0
174.99194	1.5
177.12877	1.6
179.14349	1.7
181.12289	3.3
184.07272	1.6
193.08411	4.4
193.15932	1.1
205.03500	2.9
207.09938	7.9
209.11758	1.7
209.15411	3.2
217.00247	3.0
219.09955	2.1
221.11610	2.0
223.13324	3.1
231.10017	2.3
233.11679	1.9
244.10841	3.4
245.11626	2.0
245.18912	2.1
247.09555	1.7
247.20575	5.6
248.10207	5.3
263.16586	2.1
273.18704	2.1
280.11615	1.3
287.16397	2.4
291.19659	44.1
292.19995	3.7
294.09567	1.1
309.17087	2.3
309.20673	67.7
310.21063	7.4
313.14194	4.2
313.17743	21.8
314.18149	2.8
331.18866	100.0
332.19315	12.1
391.20227	3.2
407.79330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.8
57.03316	1.6
59.01250	100.0
60.01573	0.9
65.00188	1.5
67.01756	1.0
71.01255	6.4
71.43211	1.0
71.43553	1.4
71.48502	0.8
71.94701	0.8
72.99193	1.1
73.02818	2.3
83.01234	2.1
85.02816	8.1
87.00748	2.9
89.02301	3.8
92.35053	1.0
95.01263	4.5
97.02822	1.3
99.00726	1.0
101.02332	6.3
101.56691	0.8
107.01279	5.2
111.00751	1.7
113.02307	3.3
119.03314	1.1
119.04894	0.8
123.00756	10.4
125.02328	14.5
126.02643	0.9
129.01848	1.0
139.00182	1.9
139.11165	0.9
145.02850	3.4
149.02322	1.0
150.03067	1.1
151.00262	4.7
155.55975	1.0
157.02826	0.9
159.02925	1.0
161.02362	1.4
161.04425	3.7
166.99791	6.1
168.00574	2.3
169.01331	19.9
169.02753	1.2
170.01627	1.1
173.02319	1.5
175.03871	1.0
177.01920	1.4
183.10158	1.1
189.01871	1.6
191.01804	1.9
191.03377	1.8
201.01863	1.3
205.01222	1.0
217.01346	1.8
226.99731	1.2
229.01346	2.1
229.04999	21.1
230.05333	2.0
233.00807	1.0
243.12332	5.1
245.00871	2.8
247.02432	1.3
257.00970	1.4
261.00043	1.4
270.98849	1.0
271.99667	1.4
273.00397	2.7
275.01962	1.8
284.02478	1.4
288.99710	1.6
292.38467	0.9
293.02747	1.1
298.98285	1.4
299.99005	2.4
300.99841	10.1
302.00162	1.4
313.05716	1.5
315.02319	1.3
316.03220	3.8
316.99167	1.5
317.02728	1.3
331.17639	7.5
343.11823	1.1
359.00018	1.2
390.89630	1.5
391.02249	1.6
391.10245	1.5
391.19940	9.8
392.03104	2.0
392.20132	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99674	3.8
57.48839	4.0
59.01249	100.0
62.08228	3.4
66.46902	4.4
70.43303	9.5
70.43698	8.3
71.63364	3.8
80.43970	3.9
86.58183	3.8
97.21279	3.7
109.08217	5.7
223.06595	4.1
239.01598	4.3
296.87952	4.7
322.31088	4.4
389.30099	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66621	7.1
59.01251	100.0
62.85666	6.9
68.37338	6.8
71.33307	12.4
103.24200	6.7
275.93253	7.1
283.16187	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	391.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.0
70.00494	1.7
71.04896	0.4
79.95603	26.2
80.96373	2.3
83.53156	0.3
95.95109	3.1
96.95884	100.0
97.02826	1.1
104.74786	0.3
113.09638	0.8
125.02370	0.4
132.98071	0.5
139.11183	0.8
159.22873	0.4
169.01416	0.6
171.10207	1.9
174.99139	1.9
185.11792	0.6
190.98679	0.5
193.05310	3.4
193.12157	0.4
197.11703	0.5
211.13339	4.0
217.00226	7.2
291.09100	0.9
291.19681	0.7
293.21255	3.8
294.21634	0.4
309.20694	1.2
311.22260	3.8
319.39279	0.4
331.18582	0.4
367.32376	0.5
391.17923	56.2
392.13196	0.7
392.18152	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	389.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03329	1.4
58.00459	1.1
59.00988	1.2
59.01254	15.5
66.66302	0.8
69.03329	0.9
69.32886	6.8
70.70495	1.0
71.00902	0.9
71.01258	12.7
72.99186	1.6
73.02815	4.1
74.02319	1.5
78.95776	1.7
79.95599	6.1
80.96380	1.5
83.01263	2.7
84.97266	0.8
85.02825	7.7
87.00749	1.9
89.02351	2.0
96.95883	2.7
99.00742	2.0
101.02321	10.5
112.85316	0.9
113.02317	3.5
125.02330	1.1
167.10616	1.0
181.15762	1.1
227.16530	10.0
293.68399	0.9
311.53027	0.8
344.09790	0.9
366.65454	0.9
371.20831	2.0
389.17050	3.3
389.21762	100.0
390.22076	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	50.8
66.09375	21.9
69.99103	100.0
71.96592	20.5
79.95609	22.6
80.71158	27.5
80.96399	61.2
83.44276	20.6
128.87093	18.8
137.31230	21.8
225.00916	27.2
238.07318	22.4
246.68073	23.8
255.23160	28.5
263.84796	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03085	4.5
58.79841	3.8
59.01251	46.7
63.96113	5.3
65.54632	4.1
69.93569	21.8
71.31289	4.4
77.40408	4.3
79.95600	12.2
81.95178	13.0
96.95899	7.6
98.20454	7.4
101.90934	3.9
123.04381	7.3
125.09603	7.9
137.09676	5.6
156.40289	5.0
163.11205	12.8
164.61906	4.5
185.11746	13.1
191.14301	7.8
207.10013	43.5
217.00354	6.8
225.11308	10.9
245.19080	18.9
247.09380	7.8
271.17090	4.9
289.18094	73.6
294.46057	5.1
307.19159	64.7
308.19519	6.8
329.17285	100.0
330.17633	12.8
345.20676	17.4
378.24734	4.9
389.16577	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2181
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
50.01441	0.3
53.81153	0.2
54.45675	0.3
55.01749	1.2
56.51205	0.3
57.03308	0.8
58.00460	0.6
59.01250	10.0
63.38906	0.3
64.95136	0.3
69.03340	0.5
71.01252	10.4
71.08551	0.3
71.08906	0.6
72.99181	1.7
73.02821	2.8
77.72454	0.3
79.95580	0.3
83.01255	2.4
85.02825	5.0
85.03332	0.3
85.99968	0.3
87.00749	2.1
89.02328	1.8
90.11942	0.2
95.01269	1.0
96.95875	0.3
97.02818	0.5
99.00774	1.0
101.02318	6.1
111.00761	0.9
112.01543	0.4
113.02335	2.6
124.01524	0.8
125.02325	0.8
181.15871	1.7
199.53860	0.3
209.15547	0.3
227.16475	17.6
228.01588	0.5
228.16774	1.4
269.17380	0.5
371.20773	3.2
372.21066	0.4
389.21796	100.0
390.22125	11.4
412.89944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	4.7
59.01250	58.8
63.24901	1.9
69.03309	2.9
69.85307	12.3
75.00739	24.2
80.02557	5.0
81.03323	5.6
83.01268	12.3
83.04894	5.1
93.03342	4.4
95.04884	5.0
96.95882	11.0
97.02849	3.9
97.06457	11.0
102.60954	2.0
106.04100	3.2
109.06437	3.6
123.04404	11.7
123.08038	5.6
125.05972	2.9
125.09610	20.2
135.08087	4.1
137.09622	13.3
141.12749	3.5
142.02614	2.5
161.09602	3.4
161.71643	2.9
163.09984	2.4
163.11209	20.0
165.09076	2.7
165.12791	17.6
167.10657	2.1
175.07304	3.3
177.09338	2.1
179.10582	3.2
181.12299	3.6
185.11766	14.7
191.10680	5.9
191.14360	19.7
202.38264	2.3
207.10155	13.7
209.11768	85.6
209.13782	4.6
210.12059	5.8
211.13293	3.8
225.11253	8.2
231.09998	50.5
232.10251	3.4
233.11568	4.5
245.19081	36.0
247.20685	5.6
251.21056	2.4
271.16977	2.9
273.18399	2.4
285.18341	3.6
289.18073	100.0
290.18307	8.8
291.12228	4.8
291.19675	52.0
292.19992	5.8
307.19153	62.3
308.19476	6.6
317.17215	7.6
329.17511	14.5
389.09866	2.3
389.19843	12.3
389.23743	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	87.3
60.01589	1.4
63.96109	1.0
71.01205	1.2
78.95779	1.3
79.95620	4.0
80.96375	1.3
83.94734	0.7
96.95910	1.3
113.02365	1.1
140.01047	0.9
167.10686	100.0
168.11018	5.6
169.01328	0.8
187.09645	1.1
229.16838	0.8
329.15979	1.6
389.16464	3.2
389.20883	0.9
389.25439	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	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.1
68.25542	3.4
71.01254	17.9
71.14872	8.1
72.00759	23.0
72.04410	4.5
73.02783	3.4
88.03897	28.5
89.02342	5.1
98.02358	11.0
107.74816	4.3
114.01855	8.6
115.00264	20.0
132.02914	100.0
133.02867	4.3
137.02357	9.5
139.03873	3.7
144.02888	11.4
153.01839	6.2
163.00273	6.7
164.01006	4.4
164.04677	4.2
165.53720	4.0
166.02551	7.0
178.02536	6.0
179.06940	6.1
181.04903	4.5
188.01929	14.2
208.06839	4.8
224.19092	4.7
234.04156	4.2
243.28561	4.9
264.08682	5.9
267.69376	4.2
306.79944	3.6
325.00790	4.2
338.08823	12.3
366.28271	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	389.164
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
50.84754	0.3
52.81492	0.3
59.01247	0.5
61.43614	0.3
63.06854	0.3
79.95605	42.0
80.96396	3.9
95.95110	10.3
96.95888	100.0
97.02826	6.3
111.08060	0.7
125.09618	0.4
137.09605	0.5
169.12193	0.3
171.10173	1.3
176.98544	2.8
178.92708	0.3
183.13824	0.4
185.11786	2.5
189.03516	0.3
190.02890	0.5
191.03743	3.6
195.20526	0.3
197.11772	1.1
211.13350	3.0
217.05312	0.6
226.48137	0.3
248.64771	0.3
265.07394	0.5
280.03699	0.3
291.09116	1.1
291.19702	2.7
309.20798	2.2
389.16379	55.8
390.16721	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	387.2025
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
55.01753	3.1
55.87598	0.4
57.03326	1.8
58.00454	1.2
59.01252	22.7
65.98416	0.4
69.03313	0.8
70.53781	0.5
70.54117	0.9
71.01254	21.3
72.99171	2.1
73.02821	8.6
75.00750	0.7
79.95600	3.0
80.96368	0.6
83.01259	6.5
84.73413	0.3
85.02827	12.4
85.99966	1.7
87.00749	1.4
87.04416	0.4
89.02319	4.0
95.01244	2.3
97.02824	0.6
99.00756	3.3
99.04356	0.9
101.02324	22.1
111.00824	0.9
113.02333	6.8
119.03342	1.8
125.02345	0.6
152.35460	0.4
159.02910	0.8
161.04477	1.1
225.14902	3.1
305.17679	0.5
369.18942	0.6
387.20233	100.0
388.20615	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86200	9.1
59.01250	84.4
59.83828	10.1
65.92191	9.6
67.33721	10.8
69.27155	100.0
71.01255	22.8
78.95786	14.5
79.95612	17.5
80.96394	20.9
89.02305	17.3
96.68252	10.1
96.95882	13.7
101.02369	18.4
112.93604	22.0
137.09682	11.2
141.01578	22.4
152.99411	11.9
161.96591	11.2
170.03194	12.6
204.11478	15.2
255.23207	18.6
268.12054	12.0
271.20712	21.5
315.19525	31.1
369.24133	18.3
387.25302	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2019
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01743	6.4
56.78283	1.6
57.03305	4.4
58.00458	2.3
58.14174	1.5
58.60526	1.6
59.01249	70.3
60.01581	2.8
71.01252	98.9
71.04877	1.7
71.56632	2.0
72.99155	4.7
73.02817	23.0
79.95587	2.8
83.01258	11.5
85.02823	36.3
87.00751	11.0
87.41154	1.5
87.45008	1.6
89.02315	43.7
91.79669	1.6
92.99557	1.7
95.01243	7.1
96.95891	2.2
97.02810	2.2
99.00748	9.3
101.02322	70.8
103.97259	1.6
111.92837	2.6
113.02326	35.0
119.03396	21.4
125.02290	2.6
129.01840	2.8
136.05257	1.8
137.02361	2.5
137.04196	15.0
143.03392	4.8
149.04436	2.3
151.02577	1.7
159.02858	7.1
161.04457	25.7
166.03671	2.6
166.05003	33.3
179.05505	5.4
179.06921	1.8
189.01930	2.2
205.01320	3.3
207.13754	6.8
218.02136	2.6
225.14908	14.9
233.00763	4.0
246.98758	2.1
247.99680	1.7
249.06093	2.5
261.00208	3.3
271.06091	1.8
282.50226	1.8
288.99765	5.2
301.17081	1.6
343.08176	1.7
387.07248	13.3
387.20142	100.0
388.20413	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41473	0.5
58.00444	0.6
59.01254	8.0
69.39281	3.0
69.39713	1.4
71.01251	6.5
73.02820	2.3
85.02827	2.6
87.00755	0.5
89.02311	5.3
95.01272	0.9
95.04897	2.2
96.95860	0.5
98.20558	1.0
101.02318	3.4
109.06499	0.6
113.02335	4.1
117.76955	0.4
119.03371	1.4
137.05951	0.4
140.74168	0.5
143.03389	0.6
161.04434	0.9
163.11206	5.3
179.05553	0.8
180.08177	0.5
181.12277	13.4
182.12602	0.9
195.13875	0.8
207.10170	0.7
223.13458	2.2
225.11278	100.0
226.11597	6.2
246.01750	1.1
249.11305	2.4
267.12415	4.1
288.99838	0.6
320.76901	0.5
343.08267	1.1
350.70020	0.5
387.07214	1.8
387.16516	1.0
388.07425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01255	4.3
71.01250	2.7
73.02821	2.1
77.44848	0.3
80.02538	0.4
85.02835	2.1
89.02312	2.1
95.01260	0.7
95.04886	1.7
98.19694	0.4
101.02318	2.1
107.04913	0.4
109.06510	0.6
113.02335	3.9
119.03362	0.7
121.06541	0.5
123.04380	0.6
127.84084	0.3
137.05977	0.4
139.11157	0.3
143.03362	0.5
161.04453	0.8
161.09685	0.4
163.11186	3.8
164.11526	0.5
165.30461	0.3
179.05482	0.3
181.12259	13.7
182.12596	0.8
205.12291	0.5
207.10120	0.4
223.13353	1.2
225.11267	100.0
226.11603	7.5
243.12225	0.4
249.11295	3.7
267.12418	1.7
276.73917	0.3
279.12540	0.3
299.05698	0.5
343.08139	0.3
387.07059	0.6
387.16513	0.8
388.07806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1483
Annotation	Cetirizine
Peak:m/z	Relative Intensity
57.03316	1.1
59.01251	4.9
60.35767	0.6
60.48883	0.6
69.23427	0.6
69.93171	3.4
71.01250	1.3
71.04883	2.9
71.82727	0.5
71.99667	0.6
79.95605	54.8
80.96389	47.2
81.03330	1.1
83.04859	1.3
88.35749	0.6
89.02317	0.9
95.04890	1.4
95.95121	0.9
96.95887	32.0
98.94079	0.6
101.02330	1.0
106.12355	0.6
109.06476	6.7
111.04392	3.0
111.08044	1.0
125.09605	1.3
127.07529	1.7
137.09576	0.6
141.01558	0.8
143.10632	1.3
145.06529	0.8
151.11113	0.7
167.10660	1.8
185.11784	0.9
191.14330	0.9
195.13812	2.5
235.13341	0.7
237.14935	0.7
243.17479	0.7
245.19028	5.1
271.16800	1.0
287.16522	2.6
289.18085	48.4
290.18445	5.5
305.17514	1.7
307.19180	7.5
308.19537	0.9
316.71631	0.7
341.05463	0.6
387.14810	100.0
388.15076	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	385.1868
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
50.44478	0.6
51.71852	0.6
55.01755	5.8
57.03324	5.8
58.00463	1.4
58.29597	0.6
59.01249	22.8
59.21545	0.6
69.03335	1.2
71.01250	100.0
71.56285	0.8
72.01592	1.6
72.81217	0.7
72.99174	2.0
73.02817	31.8
75.00741	1.6
79.95596	1.3
80.96389	1.9
83.01254	11.2
84.02086	0.8
85.02819	45.9
87.00768	3.7
89.02314	10.5
91.01043	0.7
95.01253	8.0
95.01817	0.7
96.13778	0.6
96.17662	0.7
96.63010	0.6
97.02837	2.5
99.00754	14.0
101.02320	54.5
102.02694	1.0
113.02328	40.5
114.02690	0.9
115.03923	0.9
119.03375	2.9
125.02356	2.5
129.01817	1.5
143.03377	3.5
159.02895	10.6
161.04459	43.7
162.04810	1.5
179.05501	0.7
179.14352	14.0
180.14618	1.5
190.02632	0.7
205.03438	2.0
223.13315	3.5
347.42612	0.6
385.01907	0.7
385.18640	20.1
385.26056	1.3
386.19235	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03327	3.2
58.00456	4.7
59.01250	98.5
60.01581	1.9
70.72720	1.9
70.73060	2.2
71.01253	92.8
72.01597	1.7
72.99173	7.7
73.02811	12.9
74.02273	1.1
80.91962	1.1
83.01259	6.5
85.02821	20.7
85.41972	1.2
87.00748	16.5
87.04353	1.9
88.03875	1.3
89.02315	100.0
95.01280	6.4
99.00760	5.0
101.02319	63.8
102.02672	2.1
108.61977	1.2
110.15502	1.2
111.00748	3.7
113.02327	38.5
114.02746	1.2
119.03387	47.3
119.04239	2.6
125.02367	3.1
126.96936	1.0
129.01830	3.3
131.03380	4.0
141.01791	1.5
143.03461	6.2
149.02313	4.4
149.04437	2.6
149.09543	1.4
152.08342	1.4
153.09106	2.6
159.02847	2.8
159.66473	1.2
161.04446	14.6
161.09624	4.7
162.04797	1.3
164.04721	7.3
169.01302	3.2
175.00244	1.5
175.07552	2.7
176.08313	4.2
179.05577	6.8
179.06911	1.9
187.11201	34.4
188.11523	3.5
189.01912	1.4
189.09134	3.2
190.02654	6.9
190.09932	7.2
191.03363	1.6
203.03476	1.3
203.10722	2.3
204.11472	12.4
205.05016	8.6
205.12265	43.2
206.05612	1.7
206.12617	1.8
208.03622	1.9
215.10704	3.7
216.04030	1.5
221.07994	1.4
223.06036	11.9
223.13330	2.0
233.11749	25.0
234.12079	2.3
247.02480	2.3
259.13303	6.0
265.07153	3.5
277.14355	10.1
295.08170	5.8
304.76056	1.2
325.09198	3.9
385.03677	1.4
385.18674	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.2
55.35758	0.7
56.14972	0.8
57.03318	4.3
58.00475	4.1
59.01247	100.0
60.01595	1.5
71.01250	94.4
72.01579	1.0
72.99178	7.4
73.02814	12.5
75.00757	1.6
76.27152	0.7
81.03360	1.0
83.01261	6.4
83.04883	0.8
85.02818	26.4
87.00748	12.5
89.02312	86.7
90.02654	1.7
95.01280	4.4
96.62450	0.8
99.00756	3.7
101.02316	60.5
102.02643	1.2
111.00753	3.2
113.02325	39.9
114.02656	1.0
115.03906	0.9
119.03384	40.6
120.03781	0.9
123.00776	1.2
125.02358	2.3
129.01839	2.8
131.03423	4.0
137.09613	1.1
139.00330	0.9
141.01830	1.4
143.03384	7.6
149.02325	2.3
149.04437	3.3
149.05699	0.7
159.02892	2.7
161.04472	13.6
161.05861	1.5
161.09615	5.2
163.03912	1.1
163.11090	1.1
164.04707	1.4
169.01344	1.2
171.08076	1.9
175.00250	0.9
175.07539	3.1
175.11142	1.6
176.08307	5.2
179.05548	11.2
187.11194	37.5
188.11543	3.1
189.09093	4.3
190.02626	2.7
190.09911	8.0
196.90002	0.8
203.10768	2.7
204.11481	12.7
205.04948	2.6
205.12259	38.5
206.05852	1.1
206.12622	2.5
215.10712	4.3
221.08148	1.5
223.06029	3.7
223.13373	2.0
233.11780	22.6
234.12117	1.9
247.02477	1.1
247.13309	1.3
259.13409	5.3
265.07181	1.8
277.14514	9.2
295.08228	1.8
325.09225	3.0
385.04410	1.0
385.18481	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46428	0.8
51.03176	0.9
51.42608	1.0
55.01735	2.5
57.03323	3.4
57.20421	0.9
58.00460	2.8
59.01247	62.3
69.22007	9.6
71.01251	69.8
72.01589	1.8
72.99168	3.0
73.02811	12.5
81.13594	0.9
83.01250	3.8
83.04903	1.0
85.02823	24.9
87.00752	2.2
89.02312	34.4
95.01262	5.6
95.04882	1.5
97.02823	5.9
98.70763	0.9
99.00748	5.5
100.61166	0.8
101.02316	31.7
102.02662	1.0
105.06945	1.5
108.05718	1.9
109.06510	1.9
111.04352	0.9
111.08125	0.9
113.02331	26.1
113.05960	2.7
116.65623	0.9
119.03387	13.6
122.03648	2.1
123.08045	2.9
125.05941	4.6
131.03391	1.1
135.08018	1.3
136.05174	3.5
137.05975	2.0
138.06767	25.4
139.07545	8.8
143.03372	2.7
149.04433	1.4
149.06053	1.1
151.07567	22.9
152.04716	2.2
152.08339	45.8
152.71169	0.9
153.09122	100.0
154.09477	5.2
159.02896	4.9
161.04463	19.2
161.09526	0.9
162.04811	0.9
163.11186	3.8
165.09100	1.1
167.07040	2.2
175.00209	2.6
179.05527	2.4
189.09029	1.3
190.02600	5.2
190.09915	1.8
196.22057	0.8
205.05048	5.4
205.12265	31.6
206.12540	2.2
223.06055	2.7
223.13321	16.7
265.07019	1.1
271.47131	0.9
325.09177	1.1
385.18600	7.3
386.19003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15267	1.6
57.03300	1.8
59.01254	26.8
69.33919	5.3
69.34350	11.8
71.01249	19.7
72.99191	1.9
81.67548	2.0
81.94383	1.6
85.02823	8.1
89.02341	13.6
89.98799	1.6
95.06404	1.6
95.96689	1.8
96.95912	4.2
97.54208	1.7
101.02313	8.1
113.02331	9.2
117.06260	1.7
119.03391	4.8
121.06505	1.9
125.05980	2.2
135.11676	14.0
161.09590	5.0
169.01286	2.8
179.10692	96.3
180.11049	5.2
190.02644	3.6
193.12239	1.8
203.10768	3.3
205.05026	3.1
205.08687	3.6
223.02367	1.8
223.09695	100.0
224.10052	7.1
265.10800	2.4
306.71768	1.7
341.06723	1.9
367.73535	1.7
384.83984	1.9
385.05804	7.2
385.21899	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15267	1.6
57.03300	1.8
59.01254	26.8
69.33919	5.3
69.34350	11.8
71.01249	19.7
72.99191	1.9
81.67548	2.0
81.94383	1.6
85.02823	8.1
89.02341	13.6
89.98799	1.6
95.06404	1.6
95.96689	1.8
96.95912	4.2
97.54208	1.7
101.02313	8.1
113.02331	9.2
117.06260	1.7
119.03391	4.8
121.06505	1.9
125.05980	2.2
135.11676	14.0
161.09590	5.0
169.01286	2.8
179.10692	96.3
180.11049	5.2
190.02644	3.6
193.12239	1.8
203.10768	3.3
205.05026	3.1
205.08687	3.6
223.02367	1.8
223.09695	100.0
224.10052	7.1
265.10800	2.4
306.71768	1.7
341.06723	1.9
367.73535	1.7
384.83984	1.9
385.05804	7.2
385.21899	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77365	0.4
55.01756	0.6
56.18871	0.4
57.03317	0.4
58.00452	1.0
59.00948	0.8
59.01250	16.5
67.12482	0.4
67.71787	0.4
71.01250	15.0
71.04623	0.6
72.99181	1.7
73.02821	2.0
83.01234	1.0
85.02824	5.2
87.00773	1.0
88.03912	1.0
89.02313	9.4
91.01775	0.9
95.01253	1.0
97.02824	1.0
99.00758	1.1
101.02329	6.4
108.05647	0.5
113.02325	5.8
119.01277	3.4
119.03388	2.8
121.02841	1.5
123.08047	0.9
125.02299	0.8
135.04498	0.5
136.05215	0.6
138.06754	2.7
139.07492	1.5
147.00806	2.7
147.04414	0.6
149.02347	5.7
151.07559	3.8
152.04701	0.4
152.08331	6.4
153.09114	13.6
154.09438	0.6
159.02879	0.5
161.02351	0.7
161.04474	3.0
161.05750	0.5
162.03120	0.5
163.03873	0.6
163.11139	0.5
164.04697	7.5
165.01860	1.5
175.00285	22.8
176.00627	1.2
177.01775	0.7
177.05400	0.4
179.03362	0.4
179.05678	0.7
179.07056	2.4
189.01894	0.9
190.02640	72.2
191.03038	4.3
205.04997	100.0
205.12262	3.9
206.05389	9.6
208.03664	0.8
217.01373	1.0
221.08136	2.5
223.06065	19.1
223.13304	2.0
224.06297	1.1
232.03703	0.8
233.25716	0.4
237.07677	0.6
247.02357	0.6
247.03618	0.5
247.06097	6.3
248.06453	0.4
257.87042	0.4
263.01883	0.6
265.07184	4.8
266.07678	0.4
273.00287	0.5
295.08200	1.5
325.09219	3.9
326.09485	0.4
385.11441	5.5
385.18655	0.8
386.11166	0.6
386.18353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
52.81751	0.3
55.01767	0.3
58.00461	0.5
58.13469	0.3
59.01250	10.6
64.13914	0.3
65.00191	0.3
68.50751	0.2
69.79204	0.4
69.79624	1.1
71.01257	5.0
72.99171	0.4
76.48936	0.3
85.02813	1.1
85.15193	0.2
85.70333	0.3
89.02316	4.5
90.53796	0.2
91.01765	1.1
93.03316	0.4
95.01273	0.5
95.02734	0.2
95.82906	0.2
101.02330	1.9
107.96527	0.3
113.02328	1.9
119.01270	4.4
119.03346	1.3
121.02829	0.9
147.00809	3.2
149.02344	5.8
150.02628	0.3
161.02338	0.5
161.10802	0.3
162.03166	0.5
163.03889	0.7
164.04698	5.5
165.01830	1.1
165.04997	0.3
175.00288	28.1
176.00645	1.6
177.05353	0.3
179.07014	1.7
189.01865	1.2
190.02640	63.2
191.03001	3.9
193.01364	0.5
205.04997	100.0
206.05356	6.5
207.02982	0.3
208.03694	0.7
217.01285	0.5
221.08180	1.5
223.06065	18.0
224.06372	1.2
232.03777	0.7
237.07683	0.7
247.06088	5.7
248.06519	0.5
265.07153	3.5
286.52780	0.3
295.08237	0.8
325.09286	1.8
344.88104	0.3
365.20093	0.3
385.11346	4.7
386.11618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54926	0.6
59.01249	9.6
66.79729	0.6
69.80653	2.2
69.81068	1.0
71.01258	5.3
72.99159	0.7
85.02809	1.2
88.36693	0.5
89.02323	4.2
93.03333	0.5
98.20573	0.6
101.02335	2.1
113.02334	2.8
119.01264	4.5
119.03377	1.4
121.02839	0.7
123.33573	0.5
147.00700	2.8
149.02350	6.4
161.02383	1.2
164.04703	7.1
165.01823	1.5
168.90099	0.6
173.02148	0.7
174.98764	1.2
175.00285	24.1
176.00620	1.0
179.07053	2.2
189.01842	1.8
190.02637	68.7
191.03018	4.4
193.01239	0.6
201.01901	0.7
205.04994	100.0
206.05382	6.4
208.03690	2.0
217.01376	2.8
221.08131	2.0
223.06065	18.7
224.06418	1.0
232.03740	1.1
245.00896	3.2
247.06081	5.0
265.07138	2.2
273.00406	9.6
274.00861	0.6
295.08139	1.1
303.01239	0.7
305.02975	3.2
325.09274	2.0
369.23914	0.6
381.82800	0.7
384.98602	3.9
385.11490	5.4
406.20193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2753
Annotation	Mycestericin D
Peak:m/z	Relative Intensity
59.01250	5.6
66.33421	1.3
71.01209	1.2
74.02349	2.7
78.95762	3.1
79.95618	2.6
80.96382	2.9
82.02849	1.7
82.55102	1.1
84.04429	4.9
85.02804	2.4
98.20570	2.8
100.03883	1.2
102.05484	80.2
103.05808	1.6
117.93542	1.0
128.03423	92.9
129.03789	2.0
136.32272	1.1
145.96165	1.1
146.04489	12.1
152.99457	3.0
209.11790	1.2
229.80054	1.5
254.24889	5.1
255.23264	58.3
256.23666	4.0
266.21945	1.3
267.05869	4.7
294.27966	2.8
296.29572	15.0
297.29779	1.7
319.71921	1.1
322.27692	2.2
340.28534	15.0
366.26489	13.0
367.26730	1.7
384.27521	100.0
385.27881	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	383.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24123	0.7
55.01746	3.0
57.03308	3.0
58.00456	2.1
59.01248	60.0
69.03337	1.1
69.28788	5.2
69.29210	2.5
71.01251	42.9
72.99199	3.7
73.02819	15.0
75.00746	6.4
77.10008	0.7
78.41549	0.8
81.03283	1.4
81.06963	0.8
83.01258	7.0
83.04884	1.1
83.88117	0.7
85.02823	19.4
85.99961	1.7
86.56651	0.9
87.00757	4.1
89.02304	9.7
95.01247	3.4
95.99195	0.9
99.00753	7.0
101.02319	39.1
102.02628	1.0
107.04910	0.8
108.55219	0.8
113.02324	15.8
114.02640	0.7
119.03352	2.6
121.06490	4.2
121.10114	1.7
123.00755	0.9
123.04366	2.9
125.02334	1.8
129.01836	5.5
132.02124	0.9
137.09624	41.4
138.09935	2.6
143.03407	0.8
147.08057	3.5
149.02333	1.1
149.09572	1.0
159.02847	2.3
161.04494	3.6
161.09605	2.0
162.06776	0.8
163.07503	2.2
163.11192	72.1
164.11533	3.6
173.09674	0.9
175.11223	1.8
187.07536	10.6
187.11125	1.2
188.08241	1.8
201.09122	1.0
203.10704	100.0
204.11029	7.8
219.05038	1.6
221.11725	13.6
222.11996	0.8
365.16025	20.8
366.16443	1.3
383.17084	82.0
384.17462	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	383.1348
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
57.11420	0.1
59.01007	0.1
59.01245	1.1
59.55044	0.1
65.03822	0.3
69.58696	0.8
71.01251	0.4
76.83245	0.1
79.95571	0.1
83.04899	0.2
89.02310	0.1
93.03333	55.1
94.03676	1.6
98.19797	0.3
113.02316	0.2
137.02339	100.0
138.02676	3.8
158.27319	0.1
210.64888	0.1
216.32462	0.2
217.95123	0.1
268.54187	0.1
347.75790	0.1
383.13498	1.2
384.13828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	0.5
58.02842	0.6
59.01249	100.0
60.01585	1.4
68.46726	0.5
69.36775	4.0
71.01250	14.5
73.02812	3.0
79.06406	0.5
79.95631	1.6
81.23855	0.5
83.01262	1.2
84.75538	0.5
85.02834	5.0
87.00758	0.5
88.03916	2.7
89.02357	1.5
90.07945	0.5
95.01278	1.4
96.95906	0.9
97.02834	0.7
99.00773	1.2
101.02316	7.2
107.01289	1.1
111.00787	0.9
112.93593	0.5
113.02318	5.7
115.00274	0.7
123.00803	1.6
125.02318	2.3
130.04979	0.5
132.02962	0.5
137.02397	0.8
139.00278	0.8
140.01109	0.7
143.03403	0.8
151.00253	2.6
159.02963	1.2
160.57707	0.5
161.04497	15.5
161.06020	17.6
162.06433	0.5
168.00581	2.1
169.01361	2.4
174.80203	0.6
176.36005	0.6
178.99805	0.9
205.03578	0.6
212.90245	0.5
232.00209	0.5
234.01669	1.0
242.66960	0.5
256.71201	0.5
271.02560	1.4
281.06683	0.5
287.01932	0.7
297.06171	1.4
307.04550	3.7
307.54858	1.9
308.04974	0.5
316.02139	3.4
317.02972	4.6
323.99268	0.8
361.00723	0.6
383.00647	1.8
383.20676	0.6
384.20413	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0771
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01250	9.4
61.98695	1.5
64.30235	0.8
64.39719	0.8
68.99686	1.3
71.01255	2.6
71.20434	1.9
85.02824	1.0
87.00742	1.0
89.02303	2.8
101.02306	2.4
113.02309	1.8
118.47726	0.9
121.02843	100.0
122.03165	2.8
145.02829	1.3
147.04410	2.0
149.02330	2.1
163.18866	0.8
181.06572	4.3
191.03423	9.9
217.00092	1.1
219.97742	1.0
225.05452	7.8
251.07182	4.6
267.06155	1.1
285.05743	3.3
295.06094	11.0
309.20871	1.1
311.09232	13.0
313.03864	1.4
313.07190	17.1
314.07510	1.3
323.09985	1.7
339.08731	15.5
340.08945	2.3
341.10748	1.9
378.51410	0.9
383.07614	20.3
383.11478	1.0
384.07935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.6
78.19943	0.6
98.19784	1.9
99.75662	0.6
102.07429	0.5
102.96835	0.5
106.20627	0.6
125.12180	0.6
129.71114	0.6
174.99104	0.8
206.37279	0.6
210.40640	0.6
217.00278	3.1
234.98814	0.6
240.33995	0.7
277.31506	0.7
299.20135	100.0
300.20456	11.2
362.49686	0.7
381.20441	23.3
382.20779	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	381.1921
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
55.87286	1.0
57.03312	4.4
58.02847	2.0
59.01258	7.0
60.01586	1.1
68.58011	1.1
69.03339	1.8
69.47931	2.7
69.48346	5.7
71.01249	6.5
71.04890	1.7
72.49575	1.2
73.02824	2.3
75.00748	14.3
78.95761	3.9
81.03333	2.1
83.04895	100.0
84.05217	1.9
85.02812	1.4
88.03911	4.8
95.04889	1.6
96.00813	1.0
96.29317	1.0
96.95907	2.8
97.02862	1.1
97.06511	1.2
99.04416	1.5
101.02341	1.8
107.04902	1.7
109.06467	1.4
111.04399	1.5
113.03432	1.3
113.05980	2.7
114.01869	2.1
115.00262	2.6
121.06499	1.2
123.08053	3.5
125.02406	1.8
131.04498	2.8
132.02928	3.6
135.08035	3.1
136.05203	2.5
137.09602	11.7
138.09879	1.4
141.09174	1.1
149.09622	4.6
151.00175	1.9
151.07530	3.6
152.99515	2.2
153.09102	2.5
163.11087	1.3
165.09116	5.7
167.09290	2.1
167.10689	39.6
168.11121	1.4
169.01328	3.9
177.09111	1.3
177.12776	3.4
178.99731	1.2
189.12782	2.0
200.77609	1.2
201.12682	2.2
205.12294	1.7
207.13838	19.3
208.14070	2.0
213.61493	1.4
219.13829	3.6
231.13863	4.8
233.15425	5.6
235.13455	1.3
247.17010	1.5
271.17072	1.5
289.18082	6.1
300.99951	3.6
301.03494	1.4
301.18036	3.0
302.03979	1.9
305.17542	1.3
307.19080	1.4
324.72559	1.2
363.18454	1.2
381.19193	79.1
382.15027	2.8
382.19461	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70713	0.7
55.01760	5.4
57.03314	5.3
58.00461	3.1
59.01252	62.2
68.99702	0.8
69.03309	1.7
70.72485	0.8
70.72823	1.5
71.01255	65.0
72.01587	1.8
72.99174	4.3
73.02819	20.2
81.03324	1.3
83.00792	1.2
83.01255	13.4
85.02823	29.5
85.99982	1.0
87.00757	4.3
89.02319	36.8
89.06017	0.7
90.02649	1.0
95.01260	4.0
97.02817	2.8
99.00755	9.0
101.02325	71.3
102.02643	1.2
111.00763	6.2
113.02338	20.4
115.03897	0.7
119.03388	1.5
123.00783	4.0
125.02357	4.3
129.01828	1.8
131.03398	25.7
143.03394	4.7
149.04456	8.9
159.02896	4.0
161.04462	17.1
166.99762	2.5
169.01407	1.2
187.20366	0.6
215.05560	0.9
229.01465	0.7
231.12332	2.0
233.06558	4.2
246.41623	0.7
249.13408	100.0
250.13713	5.4
265.91327	0.7
273.00461	0.7
293.12506	1.0
294.29065	0.8
301.00034	0.7
381.17661	64.9
382.18161	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70713	0.7
55.01760	5.4
57.03314	5.3
58.00461	3.1
59.01252	62.2
68.99702	0.8
69.03309	1.7
70.72485	0.8
70.72823	1.5
71.01255	65.0
72.01587	1.8
72.99174	4.3
73.02819	20.2
81.03324	1.3
83.00792	1.2
83.01255	13.4
85.02823	29.5
85.99982	1.0
87.00757	4.3
89.02319	36.8
89.06017	0.7
90.02649	1.0
95.01260	4.0
97.02817	2.8
99.00755	9.0
101.02325	71.3
102.02643	1.2
111.00763	6.2
113.02338	20.4
115.03897	0.7
119.03388	1.5
123.00783	4.0
125.02357	4.3
129.01828	1.8
131.03398	25.7
143.03394	4.7
149.04456	8.9
159.02896	4.0
161.04462	17.1
166.99762	2.5
169.01407	1.2
187.20366	0.6
215.05560	0.9
229.01465	0.7
231.12332	2.0
233.06558	4.2
246.41623	0.7
249.13408	100.0
250.13713	5.4
265.91327	0.7
273.00461	0.7
293.12506	1.0
294.29065	0.8
301.00034	0.7
381.17661	64.9
382.18161	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	381.0615
Annotation	Bikaverin
Peak:m/z	Relative Intensity
59.01247	8.6
59.32882	0.4
69.39449	1.6
69.39879	1.8
90.40651	0.3
98.19666	0.4
171.10144	0.4
174.99174	3.1
217.00232	14.5
235.04062	0.5
251.03334	0.4
293.01147	0.6
294.01666	1.6
306.01654	4.1
307.02347	0.9
310.04822	3.2
321.04037	1.1
322.04736	1.0
343.24811	0.9
349.03668	3.6
354.03778	1.5
365.02988	37.0
366.03461	4.7
381.06137	100.0
382.06458	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	380.9556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.8
69.03320	0.7
71.55712	0.6
71.56101	0.9
84.43877	0.6
86.84840	0.5
123.00750	1.8
125.02348	0.6
137.42792	0.6
169.01350	1.4
173.02373	1.6
185.02347	2.0
201.01849	2.0
226.99872	0.7
229.01439	3.0
245.00858	1.3
254.99341	0.9
257.00989	1.3
283.99554	2.9
299.99020	2.7
300.99884	100.0
302.00226	7.0
380.95483	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	381.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77356	5.7
57.30003	5.3
58.37705	5.3
64.03808	6.1
65.00175	9.2
69.84662	7.5
70.76006	11.4
70.76354	15.8
83.01305	6.6
87.00736	9.6
95.01274	17.0
97.02827	19.6
107.01305	12.1
111.00795	30.7
117.03333	10.3
123.00783	21.7
124.01581	8.0
124.93444	6.0
133.02803	9.4
139.00235	15.0
141.01872	16.4
145.02829	24.7
146.03564	9.2
147.04462	6.6
151.00261	24.3
153.01839	31.6
157.02910	5.9
161.02364	32.2
162.03194	8.8
163.00319	10.3
163.03886	10.2
164.01048	7.1
168.00552	11.1
169.01308	19.3
171.02946	71.2
173.02351	26.2
174.02989	10.9
175.03909	13.9
177.01868	11.9
181.01312	41.1
182.01949	7.4
183.02914	100.0
189.01888	33.7
190.02570	23.3
191.03436	9.2
192.00668	6.1
193.01357	14.3
193.98485	13.0
194.99240	7.6
201.01825	35.9
203.03438	16.7
205.01334	21.0
205.05013	7.2
208.00081	18.8
217.01421	37.6
218.02182	19.3
219.03070	7.3
221.04559	8.8
222.01611	8.1
223.02400	20.8
225.04088	9.2
229.01370	33.8
231.03033	11.7
233.04518	26.0
235.02373	14.2
237.00380	12.6
245.00954	45.5
246.01569	18.7
249.03983	36.8
261.04001	53.2
273.00397	53.9
277.03598	24.2
291.05078	8.3
305.02979	97.9
316.99149	13.1
337.05725	48.8
338.06223	7.3
349.01932	8.4
381.04086	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	379.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.4
59.70320	1.1
60.37715	1.0
71.01261	1.6
71.56689	1.2
80.96397	1.1
89.02328	1.5
96.95901	1.3
99.00758	1.5
101.02262	0.9
104.02576	1.1
108.02070	1.1
131.01300	1.0
131.04930	1.6
132.02061	4.4
136.01546	1.4
143.04883	1.2
145.02802	2.8
147.00775	3.1
148.01538	2.6
151.00214	1.3
159.00746	2.0
159.04463	1.5
160.01582	5.5
161.02324	3.7
162.05794	0.9
163.03908	3.6
164.01149	1.0
171.00813	2.8
172.01599	6.8
173.02341	1.9
174.03209	1.4
175.00298	2.7
175.03922	2.0
176.01088	3.8
187.00293	8.4
187.03987	2.4
188.01105	13.3
189.01881	5.8
190.02599	3.1
190.99821	2.2
191.03372	1.6
199.00288	1.8
200.01060	3.7
201.01845	2.0
202.99893	1.5
203.03429	3.5
204.00577	4.2
204.04115	1.6
214.99832	11.1
215.03427	1.3
216.00591	56.2
217.01326	19.7
218.01901	1.5
218.99329	6.8
219.02899	3.2
229.01466	1.9
230.99376	1.8
231.02931	2.6
232.00067	23.0
233.00568	1.8
242.99318	6.7
244.00096	36.9
245.00710	7.4
246.01311	1.4
247.02473	4.5
247.99460	1.2
248.03200	4.1
259.02399	10.7
259.99576	23.6
260.02435	1.8
261.00217	4.0
270.98798	14.7
271.99295	1.9
275.01990	19.3
276.02603	7.0
286.98303	3.9
287.99112	65.8
288.99396	4.5
291.05038	1.5
292.02335	5.6
303.01428	10.5
307.01340	1.5
307.04623	20.1
335.04132	6.5
345.92993	1.1
347.00473	18.4
348.00665	1.9
379.03049	100.0
380.03329	7.7
398.93323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57837	1.1
65.00199	2.8
66.59035	0.9
67.11586	0.9
68.99675	1.3
69.37473	9.1
75.00742	2.5
75.02262	1.5
80.45412	1.0
85.68594	1.1
88.88593	1.0
89.00140	1.1
95.01248	1.2
98.19809	1.7
99.00762	1.5
100.84754	1.0
108.02040	1.7
115.01772	3.6
121.02858	1.4
123.00750	2.2
123.04494	1.1
123.97370	1.0
124.01481	1.2
131.01277	4.1
132.02072	12.0
133.02829	2.0
143.01314	11.1
145.02881	2.0
147.00810	2.8
147.04370	1.8
148.01563	12.9
149.02185	1.6
151.00298	3.5
152.01015	1.1
159.00833	14.2
160.01581	16.7
161.02348	8.9
163.00246	2.7
163.03938	2.3
163.46898	1.1
169.01355	1.3
171.00786	7.6
172.01566	3.8
173.02396	1.7
175.00291	3.0
175.03864	5.0
176.01059	10.8
177.01848	10.1
178.99765	1.2
187.00272	11.0
187.04002	2.0
188.01071	13.6
189.01790	4.0
189.99004	1.2
190.99750	2.7
191.03421	3.7
192.04034	1.4
199.00313	3.4
201.01877	1.5
202.02400	1.1
202.99812	6.9
203.03368	5.2
204.00568	23.8
205.01332	19.5
206.01961	1.3
206.99243	4.1
214.99780	26.0
215.03358	1.3
216.00566	25.7
217.01241	8.0
217.98541	2.6
219.02946	5.3
220.03734	5.2
226.99759	2.0
229.01376	3.4
230.99271	5.3
231.02989	4.2
232.00078	18.1
233.00696	3.7
235.02522	1.2
242.99327	20.6
244.00090	11.6
245.00792	7.6
247.02510	6.4
248.03195	2.8
258.98846	6.7
259.02573	1.1
259.99625	6.4
263.01944	11.3
264.02698	17.2
265.03125	1.1
270.98853	15.2
274.01123	1.4
275.01999	13.7
276.02451	1.6
286.98111	1.2
291.01602	4.7
301.00195	1.1
302.00790	1.3
303.01443	100.0
304.01758	10.9
314.98013	1.8
319.00958	10.3
319.59396	1.1
320.01697	1.8
335.03976	5.1
337.21896	1.2
346.96118	2.4
347.00430	67.4
348.00772	5.3
361.02078	3.8
379.03046	67.5
380.03345	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
59.01247	18.6
61.98699	1.1
70.14472	2.5
78.95783	1.1
95.04906	7.7
97.06474	0.8
99.92456	0.8
102.82861	0.6
111.84490	0.6
112.93610	1.1
113.09605	2.6
113.17200	0.6
116.92733	1.0
153.09258	0.6
153.68634	0.8
179.14317	1.6
181.12242	0.9
195.13841	17.5
196.14240	0.8
202.98579	0.8
246.12428	1.0
249.06212	1.0
249.10989	1.0
249.22217	1.4
250.98441	0.7
254.02809	0.8
259.98138	0.6
277.18903	1.2
277.21753	16.3
278.11258	6.0
278.22110	1.5
279.11862	1.4
295.22781	100.0
296.23099	10.9
309.40417	0.7
317.20963	42.8
318.21436	4.7
338.12198	1.1
361.20004	4.7
377.22256	12.4
378.22583	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	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03320	1.0
58.00446	0.4
59.01253	10.9
59.62532	0.4
61.98690	0.4
71.01252	9.2
71.68549	0.3
72.99158	1.0
73.02820	3.4
74.02350	3.0
77.34869	0.4
79.95605	0.6
80.96381	5.2
81.11325	0.4
83.01263	2.8
85.02827	4.8
87.00729	1.7
89.02300	1.5
93.03347	0.6
95.01286	1.0
96.95885	1.6
97.02826	1.8
98.02337	0.4
99.00755	1.2
101.02322	6.6
111.00744	1.6
112.01583	0.4
112.93587	0.7
113.02316	2.5
116.03421	1.9
119.03384	0.5
119.04888	0.9
122.03601	0.4
123.00744	0.4
124.01546	0.6
125.02331	1.0
137.02339	0.5
151.44086	0.3
155.10635	1.0
169.01335	0.5
169.15816	0.7
181.01260	0.4
197.15382	0.7
208.00099	0.5
213.15062	0.4
215.16466	29.3
216.16791	1.2
223.02443	0.8
229.18259	0.5
257.17587	0.4
305.17639	0.4
335.13797	0.6
341.10773	0.6
359.20767	2.6
377.21786	100.0
378.22131	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	377.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.2
59.01530	1.1
61.78497	0.7
69.36076	2.6
69.36510	2.9
71.01254	1.1
77.05969	0.5
89.02352	0.9
93.03333	5.3
95.01258	0.8
101.02323	0.7
107.01280	0.9
108.02071	0.6
111.00742	1.0
113.02393	0.6
121.02853	6.7
122.03637	11.5
123.00776	2.0
124.01540	1.1
125.02344	6.3
133.02872	1.1
136.01546	1.4
137.02335	2.4
149.01421	0.8
149.02348	41.7
150.03136	87.6
151.03499	3.6
161.02362	0.6
164.04732	7.0
165.05492	100.0
166.05824	5.4
167.07008	1.4
168.00688	0.7
169.01369	9.0
177.01936	1.0
180.04247	6.4
181.04810	0.8
181.08679	0.7
187.03862	0.7
188.01036	1.7
195.06564	57.9
196.06898	2.2
205.04939	0.8
227.12628	0.6
230.99341	1.6
245.00853	0.8
271.57666	0.7
275.02048	1.2
283.09683	1.1
301.04520	2.7
301.54916	1.0
302.05270	2.7
314.11636	7.6
315.12021	1.0
329.13959	22.1
330.14276	1.8
344.98837	1.1
374.13870	0.7
377.01318	5.1
377.17834	1.5
378.02243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18639	0.3
59.01247	2.8
65.00192	0.4
71.01241	0.8
71.10217	1.0
77.03832	0.6
78.82710	0.4
79.95606	0.6
85.02821	0.5
93.03342	2.4
95.01260	0.9
95.04913	0.9
101.02303	0.6
105.03378	0.7
109.02831	0.8
121.02843	8.5
122.03659	3.7
123.00759	0.4
125.02341	0.9
132.02101	1.1
136.01573	0.5
137.02359	1.0
145.02913	0.8
147.04463	0.6
149.02348	100.0
150.03151	27.1
151.03519	0.9
164.04704	17.8
165.01866	1.9
165.05489	27.4
166.06229	3.0
167.07039	6.5
169.01309	0.9
180.04221	2.0
181.08641	1.6
188.01004	0.7
195.06572	11.7
196.06889	0.9
224.90933	0.4
226.00000	0.4
270.08884	0.7
271.09525	0.7
283.09854	2.7
285.11386	1.0
299.09332	0.5
314.11584	32.0
315.12006	3.4
329.13925	84.3
330.14261	10.1
377.01489	1.2
377.18243	0.9
377.22134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39448	0.5
59.01249	3.3
65.00177	1.5
68.99675	2.2
71.01254	1.0
83.01267	0.9
89.00189	1.4
92.99735	0.9
98.20647	1.4
99.00738	2.0
107.01264	1.2
117.03345	0.8
121.02859	1.1
123.00758	3.6
125.02328	2.3
129.03345	1.3
130.00444	0.8
132.02061	3.7
133.02803	0.8
133.99965	0.6
135.04375	0.6
143.01251	1.3
144.99176	0.6
145.02840	2.3
146.03630	1.0
147.00760	2.0
147.04390	0.8
148.01532	1.7
149.02299	3.2
149.99442	0.6
150.03157	1.4
156.02098	0.7
156.99173	1.3
157.02785	1.1
158.03601	0.9
159.00803	1.4
160.01549	7.1
160.98698	0.8
161.02289	1.8
161.99449	0.8
163.00241	1.5
163.03940	1.5
165.99016	1.3
169.01302	3.0
171.00830	1.9
172.01567	0.9
173.02341	3.0
173.99496	2.5
174.03061	1.5
175.00270	1.6
175.03900	2.4
176.01106	1.6
177.01828	0.8
184.98703	3.0
185.02199	0.9
187.00293	4.6
187.03976	0.7
188.01071	38.9
188.98206	2.1
189.01628	3.2
190.02649	2.1
191.03452	1.1
200.01068	2.7
200.98273	1.2
201.01843	4.2
201.98975	7.7
202.02650	0.8
202.99800	3.9
203.03409	10.2
204.00558	1.0
205.01350	1.1
205.04976	6.1
206.99298	0.9
212.98230	3.8
214.99780	2.6
215.12820	0.8
216.00601	2.1
216.97824	3.2
217.01321	2.9
217.98611	1.6
218.02049	1.3
218.99278	2.2
219.02881	1.4
228.97711	2.4
229.01280	3.3
229.98514	9.7
230.02101	1.7
230.55179	0.8
230.99306	9.4
231.02980	2.2
232.00105	3.7
233.00706	1.1
234.01694	1.1
240.97768	0.9
242.99348	2.2
243.02942	1.4
245.00888	5.3
245.98001	1.4
246.01619	1.6
246.98738	1.2
247.02512	3.1
256.97122	0.9
257.00879	1.6
257.98053	5.8
258.98657	1.4
259.02466	2.3
259.99524	1.3
261.00357	1.6
273.00406	4.6
273.97589	0.9
274.01172	2.4
274.98819	1.3
275.01974	21.0
276.02316	2.1
277.03516	0.7
285.97290	0.8
286.98697	1.1
287.01926	11.4
288.02249	0.8
290.00684	7.2
293.03040	3.6
300.99844	1.2
301.97037	6.1
302.00159	1.2
302.97647	1.3
305.03094	2.1
314.11649	1.2
316.99084	0.9
318.00128	1.0
319.00839	3.5
329.13940	3.7
333.02451	1.8
344.98846	9.4
349.01971	21.3
350.02542	1.4
377.01477	100.0
377.17938	3.0
378.01834	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.4
59.01247	74.3
62.27033	1.5
71.04869	5.0
79.95547	1.4
88.19485	1.2
92.47028	1.5
128.33806	1.5
174.99165	8.0
201.02518	1.8
210.97108	1.5
217.00237	31.0
218.00706	2.3
218.75168	1.6
223.16971	5.2
225.00751	2.7
227.00461	2.9
235.16972	31.7
236.17332	3.4
275.20114	36.9
276.20465	3.9
288.35828	1.6
293.21198	100.0
294.21582	9.4
359.01016	9.3
360.01404	1.6
374.98956	2.9
375.03931	1.6
375.21466	35.4
376.21823	3.9
377.02109	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78594	0.6
59.00943	1.4
59.01249	26.6
69.81022	0.7
69.91120	3.8
78.95728	0.8
93.03358	1.3
95.04901	31.9
96.05233	1.5
98.20483	0.8
99.92432	3.9
111.08025	0.7
113.09611	1.0
115.91940	0.7
174.99135	1.5
179.14359	1.3
189.05321	1.5
193.86891	0.7
195.13818	10.3
196.14389	1.0
205.12326	1.0
217.00227	7.5
223.13318	8.5
224.13837	1.0
228.13692	0.8
246.12296	13.8
249.06128	1.0
254.02711	0.9
256.13150	1.8
275.20142	6.4
278.11343	79.2
279.11725	6.1
293.21219	100.0
294.21524	9.9
306.13330	0.9
309.92581	0.8
315.19424	18.0
316.19797	1.7
338.12167	9.4
339.12378	0.9
358.12323	1.5
375.21539	3.8
376.21805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36990	0.6
57.03283	1.1
59.01248	57.7
63.56436	0.8
69.03288	0.8
71.01215	1.6
71.14289	0.7
71.14638	0.8
83.04849	0.9
93.03305	1.2
95.04897	4.8
109.06406	2.8
116.26687	0.7
117.00256	0.7
121.10114	31.7
122.10455	1.5
125.09569	1.7
127.07487	0.9
127.11165	0.8
149.09511	1.9
159.01335	1.4
171.10176	64.2
172.10516	3.6
174.99153	4.4
177.16444	1.2
183.10054	1.3
183.13696	2.9
185.11678	3.0
191.10542	0.8
193.08383	1.0
201.02403	1.4
207.09880	2.7
209.07875	0.9
210.89993	0.9
217.00235	17.4
218.00658	0.8
231.21126	5.4
249.06084	0.9
253.09286	2.7
257.19031	0.9
275.20139	100.0
276.20438	10.0
278.11365	11.4
279.11642	1.1
293.21210	84.1
294.21533	8.9
297.18365	1.3
313.17758	1.4
315.19388	47.9
316.19849	4.5
327.74579	0.8
329.17215	1.6
333.19260	1.0
338.12119	1.3
355.57431	0.7
359.18433	8.0
360.18628	1.1
375.21136	31.8
376.21271	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.5
58.00471	1.7
59.01252	43.5
69.30607	5.7
71.01254	24.0
72.99191	2.7
73.02820	1.5
77.54372	0.6
78.95787	0.8
83.01243	2.6
85.02821	6.5
87.00743	1.6
89.02321	17.2
95.01270	2.0
96.95868	1.3
99.00751	0.9
101.02324	14.9
111.00750	2.3
113.02327	8.9
119.03391	6.3
124.01561	0.7
125.02326	2.0
136.98705	1.2
139.00256	2.0
140.01060	2.1
144.36536	0.6
167.10634	1.0
168.00562	4.3
169.01329	2.3
174.99165	1.3
183.13742	0.8
195.13853	9.6
208.00060	0.7
213.09113	0.7
213.14934	6.3
217.00235	6.8
271.19083	0.7
299.04858	1.0
331.15347	1.5
357.26044	0.6
369.15323	0.7
372.95724	0.6
375.14758	8.8
375.20203	100.0
375.27115	8.4
376.15491	0.7
376.20636	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54780	1.3
57.04258	1.2
60.82027	1.2
70.17296	5.7
74.98952	2.3
78.95776	1.9
80.96413	6.8
82.62785	1.3
88.89796	1.3
89.91428	1.1
93.00013	1.8
121.86167	1.1
129.96951	1.1
138.21414	1.2
159.08389	11.8
161.06299	2.2
217.07167	2.1
277.07483	3.1
289.07483	2.1
291.09091	100.0
292.09293	11.5
302.00906	1.3
309.10019	3.0
357.13644	1.3
359.15332	99.0
360.15576	18.5
375.18533	4.0
375.25873	1.8
377.16293	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03318	1.1
58.00459	0.9
59.01250	11.3
59.78371	0.2
61.91643	0.3
62.86661	0.2
68.99683	0.4
71.01254	9.6
72.99172	0.9
73.02820	3.0
75.00739	0.3
83.01257	2.5
85.02827	4.3
85.99985	0.4
87.00755	1.4
89.02320	2.1
95.01276	0.7
96.95893	0.3
99.00749	1.1
101.02322	6.0
107.01214	0.5
111.00770	1.1
113.02325	2.0
115.57554	0.3
119.03365	0.4
121.02827	0.4
123.00773	1.0
124.01537	0.7
125.02364	1.3
125.03148	0.2
129.01784	0.4
139.00270	0.4
140.01051	0.6
144.81190	0.3
151.00244	1.8
167.14326	0.4
168.00586	1.6
169.01317	0.9
178.46266	0.3
178.99763	0.3
183.13786	0.3
192.99629	0.4
195.00853	0.3
195.13834	1.1
213.14896	25.7
214.15282	1.5
217.00244	1.4
226.01962	0.5
227.16240	0.4
229.21384	0.4
255.02927	0.6
271.02509	2.0
297.06180	0.5
299.01965	0.4
299.04865	3.2
299.55029	1.1
300.02734	2.2
301.03488	2.5
302.03836	0.3
314.99820	0.4
357.19189	1.7
375.20215	100.0
376.15814	0.6
376.20578	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16249	0.5
59.01249	23.0
63.96111	51.9
69.49942	4.5
78.52596	0.5
78.95766	0.6
79.95607	100.0
80.96388	17.9
96.95879	9.7
113.09615	1.2
132.98091	0.7
132.99554	4.7
153.05458	0.6
162.29625	0.5
174.99182	8.8
175.08003	1.0
183.13828	28.6
184.14168	1.8
191.07457	4.5
195.13875	4.6
197.11800	0.6
206.99187	0.7
217.00249	32.4
218.00616	1.8
245.08513	5.2
247.10100	2.6
263.09491	3.1
277.21716	5.8
293.21222	7.5
294.21454	0.5
295.22775	32.5
296.23059	2.6
332.98618	0.7
349.73416	0.6
357.17349	5.3
374.99438	1.0
375.18442	49.0
376.18762	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	374.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	15.4
64.21439	6.7
65.70525	6.5
71.01258	9.2
71.35880	9.2
75.67143	7.0
115.24475	6.8
162.21758	8.0
187.03819	11.4
203.03445	23.8
215.03397	7.8
231.02936	16.7
259.02457	29.9
287.02020	100.0
288.02313	12.0
331.00848	52.5
375.15884	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	375.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	14.3
71.01249	11.5
71.55968	0.8
71.56297	0.6
76.51048	0.5
89.31979	0.5
91.65337	0.5
99.92480	0.6
127.07552	0.9
148.05237	0.8
151.07538	0.5
164.08391	1.6
174.99181	4.1
177.09149	4.1
190.09938	3.6
192.11475	7.3
193.12199	0.5
205.12314	3.3
207.13844	1.9
217.00238	18.0
218.00603	0.7
218.09439	2.3
220.14633	40.6
220.75223	0.5
221.15410	100.0
222.15758	8.2
231.17642	0.8
235.13342	1.5
236.10495	96.2
237.10841	9.3
253.88547	0.5
264.08670	0.7
292.11633	1.0
293.17596	40.2
294.17947	4.0
318.09586	6.8
319.09903	1.4
321.15488	2.3
331.26276	1.3
335.13489	0.7
358.08545	0.8
374.99124	1.0
375.17905	7.5
375.25284	5.1
376.17978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46290	1.0
59.01251	37.7
69.47705	0.9
69.60581	1.0
71.56911	1.3
71.57291	1.5
74.02346	42.7
79.95583	1.1
96.95901	2.7
101.05973	1.1
132.98151	1.3
146.72409	1.1
151.11209	1.3
162.68021	1.1
174.99174	12.9
199.15901	1.0
201.02559	2.0
210.90053	1.4
217.00247	45.1
217.02348	2.3
226.75940	1.2
232.10909	7.4
289.17963	1.9
290.18674	2.8
292.90216	1.1
360.25525	0.9
374.24399	100.0
374.99258	2.3
375.19244	1.8
375.24762	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	374.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	24.3
64.02006	6.3
65.99720	6.9
71.01273	9.4
71.55822	12.9
74.02347	7.6
77.90900	6.3
109.14323	6.8
122.81935	7.4
125.02336	11.4
131.51494	6.3
132.02011	7.0
145.02846	9.4
147.04399	8.3
152.03435	100.0
159.04305	9.6
161.02370	19.7
162.03122	8.6
170.87885	6.3
173.02357	10.1
176.01022	10.6
185.02316	10.0
188.01016	9.4
189.01855	23.9
190.02649	8.4
200.01111	7.5
201.01831	7.9
203.03563	8.2
205.01376	14.0
213.01877	10.0
216.00575	18.1
217.01247	16.0
218.02142	9.0
229.01392	20.8
230.99297	15.7
231.99957	8.2
233.00890	18.3
241.01468	15.9
242.04362	7.1
244.00122	36.9
245.00841	34.9
246.01680	15.0
246.98834	17.4
257.00830	14.8
258.98706	7.4
259.02307	6.9
259.99677	23.6
261.00409	33.9
262.00543	8.2
268.02515	12.4
270.98895	17.6
271.99539	37.1
273.00433	24.6
284.01910	34.3
285.00336	11.1
286.03497	23.7
286.98230	13.0
287.99042	17.4
290.00739	26.7
298.98254	20.4
299.98999	18.8
300.99878	79.1
312.01395	37.8
315.98483	49.4
316.99283	21.3
328.00787	10.8
330.02557	26.4
356.00403	65.0
360.12247	10.4
374.01410	68.2
374.18149	11.4
375.14438	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	26.7
71.56034	0.5
71.56434	0.7
79.18719	0.6
83.27367	0.7
102.12154	0.6
108.35353	0.6
111.29485	0.7
114.47112	0.6
119.08458	0.6
125.09595	1.4
127.11167	1.6
137.09607	2.3
164.18724	0.7
171.10176	100.0
172.10558	4.8
187.95201	0.6
193.08293	0.8
263.20166	0.9
291.19650	33.6
292.19983	2.9
296.31696	0.6
330.55862	0.6
373.19891	17.6
374.20190	2.3
386.37970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70811	1.1
55.99180	0.9
57.03329	2.7
59.01252	18.9
59.34354	0.8
61.54127	0.9
63.59098	0.8
63.78121	0.9
69.92752	5.5
76.08421	0.9
93.06974	1.7
96.95898	1.5
97.06455	2.4
115.91957	1.0
121.10107	15.0
123.08058	1.6
125.09600	7.5
126.09904	1.0
141.12781	1.1
146.52498	0.9
185.11751	12.5
190.70923	0.9
197.11763	3.5
207.09970	3.8
209.07875	1.0
211.13365	2.3
227.18051	1.2
245.19038	7.3
259.46625	1.1
273.18600	1.2
291.19647	68.8
292.19992	8.2
311.16199	1.5
313.17841	100.0
314.18207	10.7
320.08264	1.1
324.41159	1.0
373.19241	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	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62673	0.3
59.01250	12.9
61.30582	0.3
70.91875	0.8
71.01250	0.4
71.04228	0.3
79.95622	1.0
82.48527	0.3
93.03322	2.3
95.04915	0.3
97.06464	0.6
106.04144	0.4
125.05976	0.6
127.07536	0.3
134.97496	0.4
141.09132	0.4
148.08832	1.5
150.10394	1.6
151.11211	0.4
163.11168	1.1
165.12755	23.5
166.13057	1.7
175.11212	0.4
176.11963	0.8
177.12741	0.6
191.14371	0.8
202.10110	0.4
217.15839	0.5
240.27693	0.3
243.95818	0.4
244.10815	4.8
247.20662	11.3
248.21028	0.9
273.18610	5.9
274.18933	0.6
291.19659	100.0
292.16840	0.6
292.19998	9.3
301.07993	0.4
313.17874	12.7
314.18228	1.4
373.19922	11.7
374.20230	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	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01754	3.0
57.03325	1.7
58.00477	1.1
59.01249	20.7
59.98410	0.4
66.75399	0.2
68.99684	0.3
69.03320	0.6
69.58450	1.4
71.01250	19.0
72.99187	1.9
73.02817	8.0
74.96339	0.2
75.00703	0.4
76.12138	0.2
76.29868	0.2
76.46919	0.3
83.01252	7.0
85.02818	10.8
85.99977	1.7
87.00752	1.4
89.02309	4.7
89.71486	0.3
95.01255	1.8
97.02847	0.6
99.00751	2.8
99.04382	1.1
101.02319	21.8
102.02661	0.5
111.00739	1.2
113.02323	6.5
119.03379	2.1
125.02328	0.5
129.01802	0.3
143.03239	0.3
145.02824	0.4
159.02960	0.5
161.04454	0.9
183.02901	1.4
192.06160	0.3
193.12152	0.3
209.96042	0.2
211.13336	4.3
212.13802	0.3
213.47520	0.3
306.60623	0.3
352.69370	0.2
355.17560	0.4
373.18637	100.0
374.18954	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01761	4.1
57.03318	3.8
58.00460	1.5
59.01249	36.2
60.01596	0.5
61.37447	0.5
63.84682	0.7
67.82973	0.5
69.03299	0.7
70.47964	0.5
70.96519	1.4
71.01250	35.8
72.01568	0.9
72.94636	0.5
72.99167	2.7
73.02818	13.8
75.00758	1.1
76.21102	0.5
83.01253	10.2
83.01710	0.9
85.02820	19.7
85.99967	2.2
87.00754	2.8
89.02309	9.2
95.01262	3.1
97.02807	0.8
99.00758	5.3
100.22918	0.5
101.02316	36.9
102.02628	0.6
109.02855	0.6
110.53077	0.5
111.00771	1.5
113.02322	13.7
114.02657	0.7
119.03371	4.0
125.02298	0.9
128.94420	0.5
129.01892	0.7
137.09607	0.6
143.03415	0.7
147.04424	1.9
149.13248	6.6
159.02908	1.6
159.04324	0.7
160.05315	0.7
161.04459	4.0
161.05809	1.0
175.07471	0.8
193.12244	0.7
211.13301	2.7
279.11212	0.8
283.09558	0.8
284.10455	0.6
285.12198	1.6
285.20798	0.7
286.12851	1.0
329.13824	3.5
329.19690	1.8
330.14151	0.9
373.18655	100.0
373.25589	11.0
374.18961	7.6
374.26053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.169
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
50.95548	0.4
54.87299	0.4
59.01248	0.7
63.96111	45.6
64.96913	0.8
69.91967	1.9
71.04067	0.5
79.95606	100.0
80.95622	0.7
80.96388	17.0
96.95885	6.7
98.03230	0.5
115.58583	0.5
119.98732	1.8
132.15675	0.5
132.99553	3.5
152.79234	0.5
171.10178	1.9
173.06322	4.0
183.13823	15.1
184.14128	1.0
189.05838	17.9
190.06145	0.6
195.13763	1.7
201.11214	4.0
223.13277	1.4
238.91718	0.5
245.08513	2.7
247.10043	1.8
263.09525	3.1
275.20142	2.5
276.20602	0.5
291.19708	3.2
293.21219	26.2
294.21521	1.9
304.45889	0.5
331.26291	0.6
355.15836	5.7
373.16864	38.3
374.17331	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	373.1867
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
55.01743	2.7
57.03312	1.9
58.00460	1.2
59.01252	22.0
60.01558	0.6
69.03326	0.9
71.01250	18.2
71.56522	0.8
72.99184	1.9
73.02814	7.3
74.05099	0.5
75.00724	0.7
76.77621	0.6
83.01251	6.1
85.02823	10.1
85.99951	0.9
87.00736	1.7
89.02312	5.0
91.11236	0.6
95.01243	2.3
96.95903	1.1
99.00753	2.2
101.02318	17.7
101.06075	0.7
108.45630	0.7
111.00714	0.8
113.02331	6.6
119.03378	2.0
123.00756	0.7
124.26440	0.5
125.02362	1.5
135.29007	0.5
139.00235	0.8
149.02330	1.7
151.00127	0.5
151.11353	0.7
161.04507	1.1
169.01314	1.0
183.02937	0.6
193.12210	1.4
209.11670	0.7
211.13318	9.9
241.05013	0.6
255.03168	0.5
255.06575	1.8
270.98914	0.7
271.02435	0.9
300.02707	1.4
300.99924	0.7
315.05124	1.1
329.10339	1.6
333.85916	0.6
342.40897	0.6
349.29980	0.6
373.18649	100.0
373.26175	3.2
374.18951	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	371.207
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.01755	7.6
57.03322	8.7
58.00468	3.5
59.01248	56.6
60.01598	0.8
63.67187	0.4
67.01723	0.5
68.99696	0.8
69.03327	1.2
71.01250	100.0
71.56952	0.5
72.01589	1.4
72.99172	3.9
73.02818	31.8
74.03156	0.5
75.00750	1.4
79.64014	0.4
81.03356	0.6
83.01258	14.6
85.02821	47.6
85.36028	0.4
85.99971	1.5
86.03159	0.9
87.00754	4.0
89.02315	27.8
89.51782	0.4
90.02631	0.4
95.01263	8.0
95.63665	0.4
97.02824	1.9
99.00085	0.5
99.00751	12.4
101.02319	79.9
102.02660	1.8
103.03860	0.9
111.00765	1.5
112.93692	0.4
113.02328	42.1
114.02674	1.0
115.03912	0.5
119.03395	9.9
123.08023	0.5
125.02302	2.1
129.01834	1.9
130.21339	0.4
131.03392	1.6
137.09612	1.7
143.03397	4.9
149.04453	0.5
149.09625	0.4
159.02882	9.5
161.04459	47.0
162.04814	0.9
179.05545	1.2
184.54146	0.4
197.70226	0.4
205.03476	1.9
209.12086	0.4
209.15401	9.0
210.15831	0.6
240.20100	0.4
252.47424	0.5
344.16272	0.5
354.57898	0.4
371.20731	38.6
372.21005	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	371.1711
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
51.83160	0.3
55.01765	1.6
57.03308	1.9
58.00453	1.0
59.01250	22.4
59.89818	0.3
59.98386	1.1
70.87830	0.6
70.88164	0.5
71.01251	18.7
72.01605	0.5
72.99167	1.2
73.02820	4.7
79.05396	0.6
83.01254	3.6
83.04897	1.0
85.02823	9.5
87.00731	0.8
89.02315	9.9
95.01266	2.6
95.04920	0.5
97.02827	0.6
97.06467	3.3
98.03581	0.5
99.00731	1.6
99.04395	12.3
101.02320	12.0
109.06497	1.2
113.02322	6.2
119.03374	4.1
129.01820	0.8
130.04897	0.3
132.39905	0.3
147.11690	2.6
147.39699	0.3
161.04471	0.6
163.11200	1.2
165.09084	0.3
165.12744	6.6
166.13132	0.3
167.03363	0.5
191.10684	2.3
192.11058	0.4
193.12259	3.6
209.11766	52.2
210.12102	3.4
251.09221	1.3
353.15872	0.4
366.49713	0.4
371.17093	100.0
372.17444	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78246	2.1
55.46700	2.4
57.03332	2.2
58.00467	4.0
59.01250	100.0
65.74778	2.3
71.01254	81.7
71.56684	3.4
72.99184	6.6
73.02819	4.1
79.95589	3.4
80.37132	2.4
80.96405	5.6
83.01254	2.8
85.02821	16.3
87.00728	3.7
89.02312	95.9
90.02619	2.8
95.01273	6.0
96.95882	4.9
101.02309	35.0
112.93599	4.3
113.02330	26.3
119.03375	28.8
143.03403	4.6
147.11688	45.9
149.04431	2.7
149.05971	4.8
161.04466	5.2
179.05571	8.5
209.11807	3.0
328.05588	3.7
341.10190	3.7
371.00235	3.6
371.17072	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39965	0.6
55.01756	0.6
56.95885	0.5
57.03322	1.0
58.00465	3.2
59.01250	72.7
68.58349	0.5
68.70361	0.6
71.01253	38.6
72.99188	3.9
73.02821	1.0
79.78694	0.5
82.27734	0.6
83.01264	2.0
85.02823	7.3
87.00761	1.5
89.02315	53.5
90.02673	0.6
91.05450	0.8
95.01276	2.6
98.20555	2.1
99.00769	0.6
101.02319	30.0
109.51283	0.5
113.02327	16.1
119.03383	27.4
125.02315	0.6
131.03378	2.5
143.03436	2.3
148.68118	0.5
149.04451	1.7
161.04500	2.9
165.63551	0.5
179.05530	3.5
191.07127	1.9
209.08127	1.3
229.99771	0.8
263.15002	0.5
295.28458	0.5
371.13440	100.0
372.13803	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	371.1711
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
55.01749	1.6
57.03312	2.4
58.00468	0.8
59.01253	15.3
59.98373	1.0
69.50304	2.1
69.50731	3.1
71.01250	18.8
72.99178	1.7
73.02810	4.6
79.95615	2.2
80.56046	0.7
83.01257	2.7
83.04910	1.6
85.02820	7.3
87.00735	1.1
87.58614	0.8
89.02313	7.3
95.01266	2.0
96.95884	0.7
97.06474	3.2
98.19829	1.5
98.98984	1.0
99.00752	1.6
99.04398	11.9
101.02325	9.1
109.06449	1.6
112.93600	1.5
113.02346	6.5
114.70734	0.7
119.03407	1.7
122.06020	1.3
129.01794	0.6
145.06041	1.2
147.11688	2.5
158.18887	0.7
163.11172	1.0
165.12784	6.3
166.05020	1.0
169.01239	0.8
172.82291	0.6
191.10683	2.1
193.12239	3.0
209.11772	54.8
210.12103	3.5
269.01236	0.8
371.17090	100.0
372.17371	10.8
375.94711	0.8
394.09589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	34.0
68.99699	10.1
71.01241	53.3
71.55533	10.0
72.99188	46.6
73.02811	18.1
75.00743	25.6
77.08528	7.2
83.01265	8.0
85.02844	18.3
87.00753	100.0
89.02319	22.1
94.92392	10.5
97.02856	7.6
99.00764	31.8
101.02335	28.3
103.00240	43.6
108.02055	7.1
109.02851	10.8
111.00790	12.6
113.02328	26.0
115.00235	16.3
117.01827	24.5
127.00265	13.7
129.01866	18.3
139.00258	8.3
141.01839	16.3
147.02855	12.7
157.01332	22.9
159.02905	7.0
163.02400	9.2
163.36122	8.4
175.02441	16.6
177.07124	8.2
191.05554	23.0
193.03479	20.5
194.28017	7.1
341.78491	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60248	0.6
55.01744	0.9
57.03322	2.6
59.01249	15.6
59.25280	0.7
67.01752	1.2
68.99686	2.6
69.03327	1.6
71.01251	18.9
71.56513	0.9
71.56902	0.7
72.99187	6.5
73.02821	1.5
75.00748	22.2
78.79819	0.6
81.03326	1.1
83.01257	1.7
83.03783	0.7
83.04911	0.8
84.02015	0.9
85.02820	21.9
87.00744	7.5
89.02308	4.7
91.03873	0.8
93.03346	1.5
95.01260	5.4
95.54754	0.5
99.00758	10.2
101.02357	1.0
103.00266	1.9
109.02860	0.7
111.00762	1.6
113.02329	22.1
114.21215	0.7
115.00254	2.4
115.03951	0.9
117.01827	3.1
121.02842	100.0
122.03191	3.0
123.00773	1.3
125.02331	2.0
129.01837	1.7
139.00272	0.7
157.01408	0.8
169.01320	1.3
175.02428	2.2
231.05052	7.4
249.06126	61.0
250.06523	3.3
295.01331	0.7
308.91464	0.6
353.08847	1.7
357.45618	0.7
371.09814	40.8
372.10239	4.4
383.24374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.077
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01242	1.3
65.40258	0.3
69.51354	2.6
71.01299	0.4
71.11865	0.3
79.45430	0.3
79.95566	0.4
93.23975	0.3
102.68714	0.4
108.38115	0.4
121.02838	100.0
122.03162	3.9
153.43030	0.3
173.11879	0.3
179.03391	9.5
180.03819	0.6
181.06462	0.5
197.06064	0.5
221.96021	0.3
225.05504	0.6
307.32480	0.4
313.12149	0.3
371.07675	12.4
372.07953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93780	9.3
54.84631	9.3
59.01231	35.8
69.33884	100.0
71.01250	14.6
74.32726	11.1
79.95621	25.0
80.96390	12.7
85.02831	16.7
92.33193	8.7
93.46715	10.7
96.45577	10.5
96.95911	22.6
112.93601	45.0
123.08017	16.8
218.91377	10.5
286.75415	10.8
304.36279	10.5
325.07156	12.8
325.23737	20.3
341.06570	11.4
369.08871	12.7
369.22849	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1917
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.01747	2.2
57.03320	2.4
58.00468	5.0
59.01250	92.4
60.01582	1.0
71.01252	77.9
72.01600	1.4
72.99184	5.6
73.02824	5.0
75.00744	0.5
81.03320	0.5
81.26334	0.5
83.01263	3.5
84.76646	0.4
85.02823	15.0
87.00752	3.5
89.02316	100.0
90.02650	1.4
95.01267	3.8
97.02797	0.7
98.20536	1.3
99.00749	2.1
101.02322	38.9
102.02684	0.9
113.02331	28.3
114.02635	0.7
115.03918	0.5
119.03386	35.3
120.03709	0.7
121.06476	3.3
125.02328	1.0
130.08632	0.7
131.03381	3.1
137.09619	27.8
138.09993	0.7
143.03409	4.2
149.04489	2.3
159.02878	1.1
161.04456	6.4
163.11215	0.6
169.54027	0.4
173.05830	0.6
179.05510	6.0
189.09097	1.4
189.12730	1.2
231.10155	0.9
233.63080	0.5
344.35724	0.5
369.02408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13455	1.4
59.00949	2.3
59.01249	38.8
65.38906	1.7
66.55013	1.7
69.03331	3.1
71.01244	1.8
71.56635	2.0
78.95760	1.6
79.95619	3.1
83.04894	2.5
96.95856	2.2
132.98154	1.8
150.92827	1.5
166.90977	3.1
174.99139	5.3
183.13829	8.6
193.12294	2.4
210.89893	3.2
211.13335	48.7
212.13751	4.4
265.07599	4.5
267.09073	7.4
278.31113	1.5
278.49750	1.7
279.09024	2.8
281.10733	2.2
299.11844	1.8
309.10187	69.3
310.10501	5.4
327.02078	1.6
369.12305	100.0
370.12604	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	369.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02830	0.7
59.01250	100.0
60.01601	0.9
69.43118	2.2
69.43552	3.4
71.01257	7.9
72.99193	0.8
83.66396	0.8
85.02839	2.7
88.03919	1.0
89.02315	6.3
95.01266	1.0
98.19817	1.5
101.02344	3.2
113.02321	4.8
119.03421	2.7
131.04747	0.8
137.09641	1.9
147.04414	79.2
148.04782	3.6
161.04614	1.4
161.06041	2.5
189.05510	2.5
282.02100	0.8
315.01474	1.1
369.05557	0.9
370.05875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1713
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
57.03323	4.6
59.01246	8.2
61.98698	2.9
71.01252	30.6
71.26934	3.4
72.04414	7.5
73.02838	2.5
83.04892	3.0
87.62260	1.8
88.03918	65.3
98.53426	2.1
113.02356	3.0
115.00249	40.0
115.99734	2.0
116.00527	2.2
132.02940	14.4
133.41612	2.4
147.11707	2.5
161.02205	2.7
173.13316	5.7
189.09045	2.6
190.12308	4.3
209.11824	2.5
216.13797	3.2
234.14862	2.6
250.14278	2.4
253.14503	7.3
261.00436	6.0
265.24420	2.1
288.16129	2.3
302.55756	1.9
324.18234	7.5
325.12653	2.5
368.17139	100.0
369.17477	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	367.2025
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
59.01254	5.7
70.09122	2.4
101.02327	0.6
105.06979	5.2
112.18323	0.5
121.02831	1.6
126.97572	0.6
146.02364	0.9
149.05983	100.0
150.06311	4.2
165.05389	1.1
186.95535	0.8
192.95825	3.0
202.92731	1.0
202.94566	0.6
204.13947	2.6
208.93097	1.6
217.00363	1.1
242.87798	0.5
311.13995	1.1
329.17163	2.4
367.03537	0.7
367.20230	25.3
368.20609	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64107	0.6
54.37482	0.7
59.01250	100.0
60.01587	1.3
69.24942	6.7
71.01250	12.9
72.99176	0.9
73.02817	4.4
74.08973	0.5
76.87511	0.6
76.98972	0.6
83.01255	2.1
85.02825	6.6
88.03920	4.2
89.02336	2.4
89.84504	0.6
95.01327	0.7
98.20538	1.6
98.99020	0.7
99.00777	1.8
101.02317	11.6
107.01247	1.2
111.00861	0.8
113.02346	5.2
115.00305	1.2
125.02314	3.2
126.22688	0.7
129.01762	1.2
132.02940	1.4
134.03668	1.5
143.03384	0.7
151.72070	0.6
154.97986	0.8
159.02948	2.2
161.04459	18.0
168.51167	0.7
169.01381	2.6
177.01871	0.8
182.97559	2.0
189.02034	0.8
193.05151	1.1
205.03560	1.2
215.96944	0.6
217.10529	0.6
233.00751	0.7
236.99100	0.8
253.14571	0.8
291.06702	0.6
307.17615	24.8
308.18024	1.9
367.21317	1.1
368.17197	4.3
368.32474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1655
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
50.88153	1.7
54.16106	1.6
54.98146	2.0
57.03288	2.0
59.01246	19.0
62.28553	1.9
63.63041	1.7
71.56770	3.1
103.40633	1.9
103.91895	1.9
107.94735	1.8
109.06454	2.0
111.08021	10.6
113.02328	2.4
121.02808	3.3
143.55524	1.8
150.94698	1.8
164.94057	4.4
172.87259	1.8
174.99142	3.0
190.96397	1.8
192.95740	12.8
197.11761	39.8
202.98793	2.1
208.93091	7.2
211.13324	4.2
217.00218	5.6
219.09804	4.2
233.11533	4.3
241.08418	2.6
255.06329	3.2
269.07910	12.1
291.19626	6.0
309.20691	25.6
331.18814	3.2
367.16519	100.0
368.17029	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	367.1654
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01249	7.4
69.03322	2.4
79.95625	1.3
87.29372	1.1
94.63882	1.3
102.20357	1.3
103.62103	1.3
111.08041	5.1
112.61031	1.1
119.08549	4.7
125.09610	1.3
127.11205	1.8
132.42326	1.1
137.09618	8.4
142.63628	1.3
150.14169	1.3
159.85849	1.6
165.12740	1.3
169.12265	4.4
171.10187	29.9
172.10548	2.5
186.95486	1.5
191.03468	1.2
192.95819	3.1
193.08397	1.5
197.11758	24.8
201.11186	2.0
207.09991	1.5
208.93063	1.5
211.13371	2.5
219.09959	2.6
233.11545	5.3
243.06308	9.0
245.75703	1.3
255.06358	2.3
269.07947	8.0
273.18686	2.5
291.19586	4.5
309.20670	16.9
313.18054	1.4
367.16544	100.0
368.16974	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1654
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
51.10159	1.0
57.03320	1.2
59.01247	9.4
61.23939	1.1
63.13876	1.2
69.47919	9.4
70.22104	1.0
77.27328	1.1
92.65372	1.2
92.92760	1.4
97.02785	2.6
107.04834	1.1
121.02835	1.5
125.09649	2.6
137.09677	2.9
141.12863	1.1
151.07529	2.5
152.08272	1.2
154.66354	1.3
163.11201	2.9
164.66074	1.2
165.12769	4.7
166.01152	1.1
171.10156	1.9
179.14331	2.5
181.12210	1.6
184.07492	1.2
193.08482	1.7
207.10007	2.1
209.04558	2.0
209.11729	1.3
217.00113	1.5
219.09892	1.7
223.13318	3.2
247.20586	7.1
273.18484	2.7
291.19653	42.7
292.20010	3.3
294.09744	2.3
295.16663	1.5
309.17334	2.5
309.20673	45.7
310.21063	4.6
313.14313	1.7
313.17776	10.0
329.49466	1.3
331.18869	50.6
332.19183	5.8
346.01126	1.2
367.03369	2.4
367.16504	100.0
368.16888	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	367.1032
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
58.30891	0.6
59.01241	2.3
59.57250	0.7
64.91190	0.6
71.01244	1.8
71.42611	1.3
85.02810	2.9
87.00754	0.7
89.02292	0.9
89.03834	1.8
93.03331	2.8
101.02320	1.7
102.05466	1.2
111.04391	1.9
117.03336	8.0
128.03432	1.9
129.01846	0.9
134.03627	85.3
135.03937	3.9
136.60661	0.7
146.04539	1.5
149.05995	8.2
149.32991	0.6
155.03401	2.7
173.03287	0.7
173.04556	5.1
175.03964	0.9
191.05542	10.9
193.04988	100.0
194.05318	4.6
212.95560	0.6
235.11862	3.3
264.95724	0.6
298.16275	0.6
298.69077	0.7
308.01901	0.7
367.10455	5.6
367.15637	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	366.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
65.21854	0.3
65.85743	0.3
67.60562	0.4
69.67131	0.3
70.01791	1.6
70.02866	0.5
72.58624	0.4
75.25163	0.3
85.02789	0.3
91.05402	0.6
95.30876	0.3
102.03392	0.6
104.04898	0.8
104.78616	0.3
105.06921	0.4
106.43016	0.4
119.04948	0.5
120.04436	1.4
121.02830	0.8
130.06548	0.4
132.04448	1.6
133.81882	0.3
146.02350	0.4
146.06013	3.9
148.07576	51.5
149.07951	2.1
149.08916	0.3
162.05533	0.7
164.03415	0.4
192.95836	0.4
217.00192	0.4
225.58244	0.3
225.90503	0.3
233.18979	0.8
265.58902	0.3
361.49173	0.3
366.24347	100.0
367.24677	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	367.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.6
59.01238	5.1
67.01752	3.6
71.01251	4.6
71.56597	2.7
83.04823	2.1
83.13130	1.3
85.02829	10.7
87.00754	2.8
93.03342	23.8
109.02832	1.8
111.04394	4.6
117.03329	2.1
129.01804	1.8
132.02045	2.2
134.03609	17.2
137.02303	1.8
145.02766	1.7
147.00850	1.9
147.02849	2.2
147.04425	1.5
148.01518	2.3
149.05981	2.2
155.03471	1.7
159.04472	1.9
160.01561	2.8
161.02409	8.6
163.00343	2.7
172.01518	2.2
173.02267	3.2
173.04472	69.9
174.04819	3.5
175.00195	1.9
175.03906	3.1
176.01099	5.9
177.01750	1.5
187.03989	2.4
188.01071	4.3
189.01866	8.4
190.02542	3.2
190.99722	3.4
191.03691	2.6
191.05516	29.8
193.01410	2.1
193.04996	13.0
193.98462	2.4
201.01767	2.3
202.02614	4.6
202.99774	4.0
203.03413	6.2
204.04150	2.4
205.01318	2.2
214.99792	3.4
216.00592	27.5
217.01299	15.6
231.02937	7.5
232.00134	3.3
233.00909	5.3
242.99283	2.9
244.00092	68.2
245.00706	9.0
246.01526	3.6
246.98944	9.3
247.02228	2.7
248.03235	10.3
249.04013	2.2
259.02469	21.1
259.99609	14.0
260.03052	5.0
261.00385	14.1
261.04010	5.2
264.02808	3.7
270.98895	2.6
271.99414	3.6
273.00620	2.7
275.01987	8.5
276.02719	9.4
288.99640	2.0
291.05161	5.3
303.01462	9.2
304.02231	3.3
307.04559	5.0
319.97983	3.5
320.01736	73.9
321.01880	3.8
335.00510	2.9
335.04156	10.3
367.06674	100.0
368.06906	9.9
391.65256	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2697
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
51.76092	0.6
59.01249	6.6
71.04891	1.0
77.68965	0.6
85.07457	0.6
107.58588	0.7
111.07987	0.7
139.04034	0.7
152.99637	0.7
165.12743	2.1
181.12373	0.8
192.05280	0.7
199.13330	29.6
200.13673	2.0
201.02364	0.8
219.17397	0.7
219.38712	0.7
283.26398	2.1
347.25928	4.1
348.26297	0.7
365.26959	100.0
366.27249	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
56.45442	0.4
59.01250	3.7
61.99656	0.4
69.68881	3.1
78.95808	0.5
83.05015	0.4
85.06457	2.5
88.28976	0.5
92.99421	0.4
94.75365	0.4
95.58747	0.4
97.36405	0.4
98.66792	0.5
99.84291	0.5
126.82922	0.5
134.53798	0.4
199.13339	1.5
201.02541	1.1
219.17395	0.7
220.09393	0.4
251.20132	0.7
261.18643	1.0
279.19629	17.1
280.19971	1.5
283.26453	1.4
308.02960	0.5
347.25864	6.9
363.25287	0.6
365.26941	100.0
366.27277	11.9
382.16409	0.5
389.67429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03304	0.9
58.00461	0.9
59.01252	17.2
61.89244	0.2
69.03323	1.8
71.01252	12.2
71.04874	0.3
72.99183	1.5
73.02824	3.6
76.14545	0.2
83.01260	2.9
85.02344	0.4
85.02822	5.0
87.00756	1.2
89.02319	5.2
95.01256	1.4
97.02818	1.0
97.40318	0.3
98.02311	0.2
98.20571	0.4
99.00755	1.6
101.02320	11.5
111.00747	0.6
113.02331	4.1
117.03322	0.6
119.03373	2.2
121.02882	0.3
123.00803	0.3
125.02316	0.6
127.11185	1.5
133.02818	0.5
135.04372	0.5
139.11179	0.3
141.01794	0.3
143.03336	0.3
145.02827	1.1
146.03256	0.3
149.02350	0.6
153.01920	0.3
155.10654	0.7
157.12253	7.2
159.02861	0.3
161.02426	1.3
161.04442	0.8
162.03110	0.4
163.03857	0.5
171.13844	0.4
173.02382	0.6
174.03062	0.4
177.01836	1.0
179.03290	0.4
183.02933	0.3
185.00812	0.8
185.11758	1.0
187.13373	0.6
189.01881	1.2
190.02705	0.3
199.13261	0.9
203.01926	0.7
203.12830	20.7
204.00552	0.7
204.13167	0.8
205.01382	3.2
206.01997	0.6
206.41830	0.3
217.01357	1.4
218.01923	0.4
233.00984	2.2
234.01495	0.5
245.00824	1.9
245.13870	0.8
249.03989	0.6
250.07129	0.3
261.00378	0.5
270.40860	0.3
277.03543	2.6
278.03613	0.3
293.03189	0.4
305.15817	0.3
321.02484	3.4
322.02844	0.4
323.50473	0.3
347.16910	1.2
365.18130	100.0
366.18484	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89453	0.4
55.01748	0.4
57.03321	1.9
58.00467	0.8
59.00946	0.6
59.01248	12.0
62.47338	0.4
65.00179	0.9
68.99669	0.7
69.03318	0.6
71.00843	0.5
71.01247	12.1
72.99177	3.9
73.02821	1.0
75.00742	15.6
79.67223	0.4
83.01258	0.5
85.02818	14.7
87.00749	6.1
89.02325	3.5
89.04368	0.4
93.18512	0.4
95.01253	4.1
97.02824	0.4
98.20498	0.8
99.00748	8.1
103.00233	1.7
111.00783	0.7
113.02326	18.9
114.02613	0.5
115.00255	1.5
115.07527	100.0
116.07863	3.4
117.01818	3.2
122.13541	0.3
129.01813	1.0
139.00214	0.5
152.96469	0.7
157.01306	0.7
159.22345	0.3
161.02333	0.4
175.02415	1.7
180.95897	1.6
182.97517	0.5
183.02832	1.2
190.02765	0.6
199.65045	0.4
205.07169	0.8
218.02257	0.4
231.05000	1.6
249.06114	13.9
250.06541	0.8
252.04832	0.5
267.07205	2.6
285.08029	1.3
305.12421	0.7
321.02463	0.9
347.13531	2.3
365.14478	54.0
366.14825	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	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01248	1.6
60.15905	0.5
68.31382	0.5
71.01275	0.7
73.02831	0.7
98.71278	0.7
110.15905	0.5
158.03645	14.9
159.04420	6.0
159.35391	0.6
171.04401	2.2
175.03772	0.5
183.04376	0.6
201.01942	0.8
201.05476	2.6
202.02647	100.0
203.03172	8.2
213.05466	1.7
229.69388	0.7
231.06636	0.8
241.05069	0.6
245.04469	1.3
275.05539	2.3
321.02298	0.6
365.08740	46.4
366.09109	4.8
368.61334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37095	0.8
70.35747	0.7
98.19723	1.4
121.02810	1.0
124.98616	0.8
132.02077	1.0
136.94113	0.8
147.00789	2.1
149.02322	1.0
153.01895	0.9
159.00809	0.9
159.04433	1.9
160.01564	1.9
161.02307	1.0
166.13760	0.8
169.01317	1.1
171.00728	4.7
171.04364	1.4
172.01544	2.1
176.01013	2.4
177.01811	1.7
180.04118	1.7
181.01328	1.5
183.00778	0.8
187.00273	6.2
187.03922	1.4
188.01057	1.8
189.01845	2.1
191.03398	0.8
199.00296	6.2
200.01033	3.3
214.99763	10.7
216.00575	8.9
217.01311	3.7
219.02971	1.3
226.99745	4.3
228.00620	1.2
229.98581	1.3
230.99420	2.2
231.03001	1.1
232.00064	1.2
242.99245	4.0
243.02966	3.8
244.00072	7.6
245.00706	3.7
247.02383	1.2
248.03305	0.9
254.99261	3.5
259.99625	2.5
263.02075	1.8
264.02774	2.3
270.98825	19.6
271.99603	12.5
272.99854	1.1
275.02005	2.3
275.05615	3.8
287.01813	1.5
298.98318	1.7
299.99118	2.5
300.99728	0.9
303.01443	19.0
304.02097	8.2
322.10110	0.8
331.00928	12.2
332.01001	0.9
363.03552	100.0
364.03854	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	363.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87446	0.6
64.64783	0.6
65.00196	5.0
70.08940	3.1
85.46008	0.6
86.49393	0.6
95.01249	1.1
97.02824	16.0
105.03268	0.7
109.99989	0.7
117.03311	1.1
123.00812	0.6
125.02327	1.0
128.85846	0.6
129.03394	0.7
132.02066	2.3
144.49216	0.7
145.02869	4.2
146.69498	0.6
147.00772	1.1
147.04495	0.8
148.01593	1.0
149.02242	0.6
153.01834	40.4
154.02122	1.5
159.00731	0.8
159.04459	1.2
160.01569	3.3
161.02335	4.0
163.00285	1.5
163.03897	2.0
164.04662	0.8
166.02609	1.2
171.00818	1.0
172.01509	2.8
173.02368	4.9
175.03918	4.8
176.01044	1.2
177.01949	0.6
179.03450	1.7
181.01343	100.0
182.01678	4.4
183.02840	1.8
185.02325	1.0
187.00253	2.4
187.03886	1.9
188.01073	2.9
189.01868	4.4
189.51759	0.7
190.02518	1.4
190.99820	1.1
191.03395	11.0
193.01372	2.3
193.98459	2.6
194.02124	2.8
199.00368	0.8
200.01138	1.9
201.01857	3.8
203.03418	5.1
204.04166	2.1
205.01323	1.2
207.02960	1.1
208.00090	1.5
208.03677	0.9
214.02692	1.3
214.99829	2.7
215.03412	1.6
216.00601	11.8
217.01349	3.1
219.02975	5.1
221.00839	2.9
221.04515	0.8
222.01262	0.7
226.99835	0.9
228.00662	1.1
229.01367	3.1
230.99457	1.1
231.02982	5.1
232.00024	2.5
232.03702	2.3
233.00682	0.7
233.98038	1.1
235.02408	7.9
242.99277	2.8
244.00066	8.3
245.00890	2.9
247.02435	10.3
248.03175	5.0
249.00414	0.7
249.03745	0.9
257.00980	4.4
259.02420	4.8
259.99582	1.1
260.99896	0.7
263.05661	1.8
270.98804	2.6
271.99609	18.6
273.00247	2.3
274.01202	1.0
275.01978	7.4
276.02768	1.5
282.98737	0.9
283.99500	0.8
287.01959	3.5
289.03516	1.1
291.05087	51.6
292.05521	3.2
298.98343	1.7
299.99106	13.6
300.99860	24.2
302.00302	0.8
303.01352	3.1
304.02188	7.6
307.04517	3.3
319.04611	6.0
320.04880	0.7
331.00943	11.5
332.01447	3.6
333.02158	1.9
335.04056	3.4
348.72882	0.7
350.83963	0.7
363.03561	19.7
364.04166	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	361.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73944	0.6
57.03320	12.4
58.00456	1.9
59.01259	3.3
60.67141	0.7
69.03330	1.9
69.39631	1.5
69.40035	4.5
71.01255	1.6
71.04890	0.8
73.02834	1.0
80.96406	0.9
83.04861	0.7
87.04398	8.2
96.95896	1.4
97.06463	2.7
99.08021	1.4
101.02275	0.8
103.91899	1.3
107.01260	1.1
109.06461	3.0
111.04395	1.3
111.08034	2.1
113.09612	2.3
123.08055	8.3
125.09579	1.2
129.09135	1.1
135.04434	1.5
135.08031	2.9
137.09612	0.7
138.06754	1.0
139.11163	2.3
141.09100	4.7
141.12741	10.3
143.10681	3.6
148.95357	0.7
151.00256	6.8
151.11206	1.1
153.09108	6.2
153.12775	0.9
166.00873	7.0
169.12236	3.8
171.13808	16.9
172.14172	0.8
173.11781	1.2
181.04930	0.8
181.12233	1.4
187.13321	5.1
199.07523	6.1
199.13370	3.1
200.14154	3.1
201.14891	11.5
202.92749	1.6
202.98654	1.3
209.02699	4.9
217.00214	1.2
217.14462	4.4
224.89270	0.6
277.21552	0.9
279.23560	0.9
313.27170	0.8
315.25327	4.0
343.28442	2.6
359.28030	10.0
360.28381	0.8
361.03799	1.5
361.29584	100.0
362.29895	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.8
57.03320	1.8
58.00455	0.8
58.76669	0.3
59.01252	11.6
67.01752	0.3
67.11502	0.3
67.11862	0.3
68.99668	0.3
69.03315	0.7
70.96606	0.6
71.01254	12.0
72.99166	1.2
73.02816	3.8
75.00750	0.3
80.96384	0.4
83.01261	2.9
85.02827	5.4
85.99969	0.6
87.00755	1.2
87.78312	0.3
87.91265	0.3
89.02329	1.4
95.01256	1.0
97.02827	0.5
99.00774	1.0
101.02322	8.9
111.00777	1.2
113.02334	2.5
119.03422	0.3
125.02300	0.5
138.85979	0.3
153.12743	0.8
169.46007	0.3
179.07010	0.4
199.13319	9.2
200.13576	0.8
333.55826	0.3
343.17538	1.8
361.18683	100.0
362.19012	7.8
363.37668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59656	0.5
55.01766	0.9
57.03323	1.5
58.00460	1.0
59.01255	13.5
69.03339	0.6
69.35806	1.8
69.36241	2.3
71.01256	14.1
72.99202	0.9
73.02818	3.9
75.00747	1.9
79.95609	0.7
81.03356	0.4
83.01261	2.6
85.02819	5.6
85.99948	0.5
87.00754	1.1
89.02320	2.4
92.48610	0.4
95.01274	1.3
96.95896	0.6
99.00775	1.4
100.61564	0.5
101.02325	9.4
111.00767	1.3
113.02338	3.3
115.86744	0.5
119.03366	1.0
121.02853	1.8
122.03635	1.0
147.04558	0.4
153.12790	1.3
155.10794	0.5
161.04434	0.7
165.05492	1.4
173.26445	0.5
181.12282	1.0
199.13333	16.7
200.13602	0.7
232.61804	0.6
281.04861	0.5
331.15280	0.5
343.17645	1.8
361.18713	100.0
362.19135	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	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
52.60449	0.3
57.03320	0.6
58.00473	0.6
59.01244	2.0
69.25715	1.5
69.26147	1.4
71.01252	1.9
72.99171	0.3
73.02818	3.0
79.95670	0.3
85.02820	1.6
87.04388	2.7
88.04700	0.3
95.01249	0.6
96.95851	0.4
98.19839	0.7
101.02338	0.9
106.28951	0.3
113.02334	2.8
121.02853	0.4
125.02284	0.3
133.01419	0.4
135.08058	1.7
137.09616	10.1
138.09897	0.5
139.11151	0.3
149.02332	2.5
150.02658	1.5
151.02837	1.0
155.10677	100.0
156.11029	4.3
164.04651	0.6
166.05096	0.3
166.06334	0.4
169.12219	0.8
181.08644	1.4
181.11896	0.2
199.09682	81.9
200.10016	4.2
213.11269	1.2
221.25323	0.3
233.32422	0.3
241.10780	4.9
242.11107	0.4
299.31497	0.3
346.13187	1.2
361.15085	1.8
361.18839	1.0
361.22440	0.5
364.23047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25988	0.5
57.03309	0.8
58.02843	0.9
59.01240	1.8
70.86099	1.0
70.86449	0.6
74.02342	7.5
78.95763	0.6
79.95601	0.7
80.96409	0.6
83.02371	2.5
84.00786	2.4
96.95894	0.9
110.01101	0.9
111.09172	0.7
112.02662	5.4
112.93620	0.9
116.04999	0.7
118.02889	1.0
125.02316	0.6
125.07045	0.8
126.05534	0.5
127.11165	0.6
129.09332	0.8
129.10236	8.1
132.04585	0.5
141.06612	3.1
142.02899	5.4
155.06946	0.9
155.08163	11.0
155.10732	0.7
160.03944	100.0
161.04274	4.9
169.01291	0.6
170.49808	0.5
172.04015	0.9
173.09229	15.0
184.02658	0.5
185.03497	10.1
186.01910	5.9
186.03638	0.7
187.14600	0.5
198.04291	3.5
199.07173	47.4
200.07503	1.4
201.14925	1.1
214.08643	0.5
217.00313	0.9
225.06599	0.5
229.36002	0.5
233.32593	0.5
241.09790	15.6
242.10175	0.7
252.11296	1.0
255.06461	2.2
280.10916	0.6
284.10370	0.7
285.08722	2.4
298.11957	3.8
299.12384	0.9
342.10876	6.0
343.11478	0.8
359.27869	2.4
360.12042	11.9
360.28296	3.0
361.02176	0.6
361.12311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
56.13501	1.4
57.03323	1.8
58.00473	3.0
59.01252	77.9
63.10614	1.2
69.08438	1.4
71.01255	47.3
72.99177	4.9
83.01275	2.6
85.02821	8.1
87.00764	1.6
89.02318	35.9
89.24162	1.2
95.01246	3.0
101.02318	26.5
111.00754	1.9
113.02352	16.3
115.40024	1.3
119.03374	13.2
121.02859	10.0
123.00762	4.6
137.02348	7.4
137.99425	1.7
138.03101	4.4
139.00272	3.4
139.03893	3.1
153.05481	13.5
165.01811	2.3
166.99814	3.5
180.04324	2.0
181.01372	9.1
182.02071	10.3
183.02913	1.6
195.06596	2.6
196.03722	5.8
197.02638	3.2
197.04483	66.1
198.04839	3.8
211.06047	10.7
224.03256	4.4
225.04016	2.2
239.05586	40.2
240.05846	1.9
269.06674	3.8
299.07782	7.9
344.07510	3.6
359.09830	100.0
360.10172	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31138	0.6
59.01249	23.4
59.05500	0.6
60.01601	0.8
69.78696	3.1
80.69627	0.6
95.95739	0.7
98.20496	1.4
147.62839	0.6
240.61259	0.7
243.16283	0.6
277.21713	100.0
278.22055	7.8
297.23892	0.7
359.22015	14.0
359.95636	0.7
360.22397	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	358.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47201	1.5
57.03334	7.6
59.01249	54.5
59.47939	1.4
71.01254	27.0
72.04397	2.3
73.02791	1.3
80.04940	1.7
88.03912	62.8
115.00254	32.8
122.06046	1.6
124.07575	3.8
132.02899	3.0
132.04449	6.3
133.01328	1.7
139.11177	6.2
150.05563	1.5
152.07097	2.9
164.10713	10.7
181.12198	3.8
182.11765	4.2
183.10260	7.5
195.13268	1.3
199.13214	1.5
224.12744	3.5
225.11247	2.2
229.83839	2.2
242.13914	30.5
243.12306	24.1
243.16029	5.3
252.16049	9.1
254.13934	27.4
274.71094	1.5
296.14999	32.2
297.12393	2.6
297.15582	2.7
298.12927	2.8
299.98810	1.7
314.16168	2.0
314.19717	2.6
315.13339	1.7
340.14014	9.7
350.46112	1.3
358.15015	100.0
358.18808	12.5
359.15320	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	358.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.5
71.01262	2.2
71.56046	0.9
71.56409	0.4
79.19975	0.4
80.96359	0.5
85.02828	1.3
88.03925	1.0
89.02283	0.5
93.01807	0.4
95.01271	0.7
96.95906	1.2
101.02328	0.6
108.08070	100.0
109.02828	1.3
109.07722	0.7
109.08382	3.6
109.32246	0.6
113.02314	1.8
119.03622	0.5
120.08083	3.3
132.08095	1.6
134.06001	0.6
135.38603	0.5
146.51678	0.5
148.07576	1.5
149.04678	1.0
151.03946	0.7
152.07071	92.4
153.07408	3.3
159.04471	1.0
164.07063	1.4
166.08646	18.4
167.08943	0.8
176.07089	1.3
178.55281	0.4
183.03049	0.5
189.05510	0.9
194.06464	0.8
194.08144	9.8
196.06076	62.5
197.06409	3.2
210.12090	0.6
238.07158	9.2
239.07555	0.7
241.05028	1.5
255.06607	1.0
280.08344	0.6
298.09290	5.3
299.09433	1.2
299.99100	1.6
309.12234	0.5
313.10724	1.3
315.98767	0.6
329.10376	0.5
329.14014	0.8
340.11465	1.4
344.12625	3.6
358.01987	0.6
358.11353	8.0
358.18591	1.7
359.00388	0.9
359.07855	0.9
359.15079	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	358.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50319	0.4
65.99722	0.7
71.01234	0.9
71.36273	0.5
71.36602	0.6
88.03902	1.6
95.31158	0.4
115.00275	0.4
121.48544	0.4
132.04408	0.8
133.02826	0.6
137.02289	0.5
144.02036	0.5
145.02837	1.3
148.01567	0.9
160.01541	1.0
161.02393	1.6
163.00262	0.6
163.03917	0.7
171.04485	0.4
172.01587	2.1
173.02318	1.1
174.03078	0.5
175.03920	0.9
176.01047	0.5
185.02367	0.9
187.00208	0.5
188.01047	1.7
189.01849	1.3
190.02647	2.1
191.03357	1.5
197.02396	0.6
198.14511	0.5
200.01057	2.1
201.01823	1.4
202.02596	0.5
202.36314	0.4
203.03488	0.7
205.01242	0.6
213.01863	1.0
214.99866	0.7
215.03580	0.7
216.00629	5.1
217.01320	1.7
218.02161	2.1
219.02924	0.8
226.99820	0.4
228.00554	1.6
229.01337	3.6
230.02382	0.4
231.30264	0.4
233.00871	1.3
240.02852	0.7
241.01390	1.4
242.99303	2.0
243.02974	1.7
243.16122	0.6
244.00055	5.3
244.02405	0.7
245.00899	5.6
246.01665	2.1
246.98792	1.1
247.02446	6.5
248.02588	0.5
256.00058	0.7
257.00873	2.1
258.01120	0.5
259.02567	0.5
259.99411	0.6
261.00391	1.4
262.74240	0.4
268.02548	1.6
269.00784	2.0
270.00668	0.8
270.04025	0.8
270.98767	4.6
271.99612	6.1
273.00391	9.8
274.01187	11.1
275.01306	0.4
282.98688	0.7
285.00323	1.3
287.01822	0.6
288.99789	0.8
291.01468	0.5
296.01956	3.2
298.98163	5.0
299.99094	100.0
300.99783	22.9
302.00171	1.3
303.00262	0.7
312.99890	2.2
314.03125	5.6
315.00192	3.9
316.00925	1.6
316.99380	3.3
318.00143	5.7
319.00827	0.5
340.00955	17.1
341.01288	1.6
358.02005	24.7
358.18817	1.8
359.02237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
57.03325	13.0
58.00464	3.0
59.01245	3.2
62.34245	1.1
69.03331	2.4
69.29214	1.6
69.29620	9.4
71.04878	5.0
73.02820	3.0
83.04889	2.4
84.02047	1.5
87.04389	4.0
93.10327	1.1
95.04894	2.2
97.06461	8.5
111.04431	1.5
111.08047	3.7
113.09615	1.9
121.10119	18.1
122.10472	1.3
123.08059	2.5
125.09585	7.7
127.11175	22.9
130.08624	2.2
131.08957	1.4
137.09578	5.4
139.11208	2.1
149.09625	3.4
151.11177	2.6
153.09126	1.8
153.12805	1.6
155.10703	5.9
155.14284	1.3
157.12230	1.1
167.10620	1.1
169.12286	2.8
171.10211	7.6
171.13832	22.6
182.97491	1.1
183.13792	2.1
185.11745	8.7
187.13310	2.9
188.13792	1.0
192.95752	2.0
193.12299	2.2
199.13361	7.8
199.16977	1.5
200.14105	24.9
201.14867	19.9
211.13417	1.8
225.14928	3.6
227.16422	6.3
229.18027	20.2
230.18306	1.2
232.13152	3.4
241.18091	2.4
243.16026	1.9
252.66512	1.1
257.21194	2.0
269.17581	3.1
269.21393	1.6
279.23236	2.5
291.23315	1.8
296.66534	1.1
297.24359	4.0
302.00140	1.2
303.23248	1.9
309.24329	5.1
321.24313	12.8
322.24680	1.8
327.25354	4.6
339.25348	11.2
357.22610	18.9
357.26492	100.0
358.09329	2.1
358.22992	2.7
358.26837	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	357.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97906	4.7
58.99475	52.8
62.97455	1.2
71.36552	2.6
74.98969	41.1
79.95606	74.8
80.96390	96.6
86.98971	1.9
87.99779	8.2
89.00533	1.1
96.95882	6.4
97.06477	3.6
103.02129	1.8
107.04919	1.2
109.06486	4.2
111.92847	2.9
112.93610	44.0
123.08044	1.4
125.09606	1.2
127.79407	1.1
138.95190	100.0
139.95490	2.0
147.93457	1.1
151.11192	1.9
161.09583	11.2
163.11186	1.2
169.20178	1.1
176.04587	1.0
179.10855	1.5
185.09953	1.7
185.11551	1.1
195.10115	3.5
197.11755	3.9
199.13348	2.2
207.10216	8.1
225.11385	5.3
229.08969	20.8
231.10611	1.6
239.07385	3.4
257.08511	18.8
258.08728	1.2
261.29376	1.0
277.19217	1.2
307.49713	1.1
355.95038	1.1
357.06937	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	357.0617
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
57.03304	0.3
58.14083	0.2
59.01240	0.6
71.20486	0.5
73.02802	0.3
77.03840	0.3
86.24487	0.2
86.25880	0.2
87.04429	0.2
97.06459	0.3
103.93690	0.2
121.02842	100.0
121.10121	1.0
122.03169	3.6
139.11217	0.2
141.12784	1.2
165.01822	1.4
171.13817	0.9
174.15430	0.2
180.05753	1.6
181.06496	7.0
185.11768	0.6
199.13283	0.4
200.14172	1.1
201.14912	0.8
225.05518	7.1
226.06021	0.3
227.16501	0.5
229.18135	0.7
309.24295	0.3
313.07184	8.0
314.07431	0.8
321.24435	0.6
339.25479	0.4
354.11877	0.3
357.06152	29.3
357.22787	0.3
357.26450	3.2
358.06482	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	357.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97903	3.3
58.99472	48.5
59.01245	6.1
69.03308	1.1
69.63417	3.7
69.63828	2.0
71.01221	0.9
74.98965	32.6
79.95604	59.8
80.96385	52.7
85.02812	1.0
85.33582	0.8
86.98988	1.0
87.99745	5.7
96.95885	10.2
97.06461	2.3
107.04897	1.0
108.02050	6.4
109.06467	2.2
111.92867	1.7
112.93608	38.2
112.94396	1.9
121.02829	2.8
122.03600	1.3
123.04406	5.8
128.93105	1.9
132.02007	1.2
136.00516	1.0
136.01561	18.7
137.02304	2.5
138.95186	100.0
139.06226	0.8
139.95442	1.1
149.11552	0.8
151.03909	18.9
151.11157	2.3
152.46922	0.8
160.01549	1.7
161.02357	4.4
161.09680	4.0
163.03915	1.6
163.11229	1.4
167.07021	2.2
176.04787	0.8
177.05458	1.0
181.05002	0.9
181.12221	1.5
195.10182	2.5
197.11720	3.0
199.13257	2.7
207.10146	4.9
209.11731	2.2
209.60077	1.0
212.04657	1.5
225.11230	3.2
229.08980	15.2
230.09236	1.4
231.10526	1.4
257.08466	8.2
268.03714	1.0
271.09891	1.1
297.07571	1.4
299.09171	2.9
302.00314	1.5
309.07446	1.5
314.10925	1.2
327.08719	12.1
339.11172	4.4
342.11020	22.6
343.11453	1.4
357.06812	12.9
357.13385	27.3
358.06787	1.1
358.13776	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	356.2442
Annotation	(9Z)-3-hydroxydodecenoylcarnitine
Peak:m/z	Relative Intensity
58.01502	0.4
58.25076	0.4
59.01244	2.5
71.14319	0.7
71.14657	0.9
73.97859	0.5
74.02338	1.3
82.02844	1.5
84.04421	4.8
85.02822	0.5
96.82037	0.4
100.03923	1.0
100.07557	1.7
102.05487	79.8
103.05827	2.1
128.03426	100.0
129.03741	2.5
146.04495	11.7
156.58586	0.5
163.73146	0.4
192.95731	0.6
208.58865	0.5
209.17316	0.4
209.18987	2.1
226.21719	5.5
227.20122	59.1
228.20474	4.6
266.24963	2.3
268.26447	15.4
269.26843	1.3
294.24411	3.0
312.25436	18.4
313.25870	2.0
338.23370	13.5
339.23685	1.1
356.24417	88.8
357.24747	9.7
370.73813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
54.41781	0.2
58.62314	0.2
59.01246	1.6
59.11578	0.3
59.49487	0.3
71.01237	1.1
79.95601	0.7
82.78378	0.2
83.04887	0.3
85.02820	0.8
89.02313	0.6
95.01273	0.4
96.95876	1.0
98.20709	0.2
99.18537	0.3
101.02341	0.5
104.04935	0.7
106.06500	100.0
107.06181	0.3
107.06836	2.8
112.93582	0.4
113.02322	2.0
118.06496	3.1
120.08052	0.6
134.06027	0.5
146.06018	1.2
147.24225	0.3
150.05502	81.4
151.05859	2.9
161.04399	0.3
162.05547	0.6
164.07066	12.6
165.07433	0.5
192.06573	10.5
193.06912	0.7
194.04507	13.9
195.04883	0.7
209.11781	0.7
229.01315	0.4
234.41283	0.3
236.05629	1.6
243.58304	0.2
257.01068	0.3
283.99570	0.4
296.07721	2.1
299.99124	0.7
300.99899	6.4
302.00354	0.6
315.98804	0.4
339.11307	0.7
356.04175	1.3
356.09875	6.3
356.14017	0.5
357.06158	0.4
357.10104	0.6
371.33163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.4
62.05865	0.2
69.28525	2.8
71.01246	1.6
79.95620	0.9
80.04891	0.3
85.02827	0.8
88.03932	0.3
95.01235	0.4
96.95869	0.8
98.19714	0.5
101.02332	0.3
106.06500	100.0
107.06841	3.1
108.08064	6.1
112.93619	1.1
113.02321	1.5
114.93134	0.3
118.06511	0.5
120.08079	1.1
125.98847	0.3
130.06503	0.6
130.08656	0.4
130.66689	0.3
131.03633	1.5
134.06010	0.4
135.04410	0.5
136.01523	0.3
136.07603	0.4
146.05983	0.7
149.02306	0.5
150.05504	52.0
151.05858	1.9
162.05496	0.4
164.07077	10.2
165.07396	0.4
174.05479	0.7
192.06573	8.1
193.04979	0.9
194.04489	26.7
195.04807	1.6
209.11755	0.6
220.46205	0.3
227.12686	0.4
229.16167	0.3
236.05585	4.2
237.05936	0.4
256.05936	0.3
283.99713	0.4
295.06052	0.3
296.07709	2.7
299.98969	0.8
300.99911	3.9
302.00421	0.3
315.98672	0.4
327.12430	0.4
339.11102	1.0
356.05090	0.5
356.09830	8.4
357.10098	0.7
357.13870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.74578	1.5
59.01250	3.8
71.27338	1.5
71.27666	2.1
79.33662	1.5
82.94899	1.7
85.02797	4.2
107.00275	1.4
109.02818	2.2
111.00735	1.6
122.03610	13.5
127.07500	2.8
135.04410	32.9
136.01555	2.9
147.08084	3.5
149.05980	2.2
149.09607	11.2
151.07529	3.4
152.75134	1.4
154.02612	3.5
161.09634	9.1
163.07523	4.8
163.11189	67.1
164.08322	18.0
165.09106	10.3
176.69421	1.5
177.09122	78.2
178.09889	26.3
179.10687	86.0
180.11029	4.7
183.10196	4.3
187.11203	3.6
191.10716	14.6
192.11095	1.7
193.08633	9.0
198.01254	1.4
209.02824	2.1
245.56754	1.5
280.14667	3.7
298.15717	58.7
299.16068	7.0
309.22388	1.7
337.21704	52.0
338.22083	4.4
340.20413	89.5
341.20657	8.6
355.22763	100.0
356.23013	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	356.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96097	0.7
59.01262	1.3
69.81488	3.7
95.15929	0.8
99.76598	0.9
106.06567	1.3
117.03333	1.2
135.27058	0.8
145.02846	1.1
148.01588	2.4
157.02940	1.2
160.01561	3.2
161.02356	1.3
163.03841	1.4
169.01337	0.9
172.01572	1.6
173.02370	2.5
176.01068	2.0
185.02364	5.0
188.01062	2.2
189.01872	1.2
200.01115	2.4
201.01862	3.4
204.00589	5.2
213.01855	1.2
216.00531	4.7
217.01273	1.1
226.99886	1.0
229.01387	6.1
230.99352	3.3
231.10579	1.0
232.00031	3.3
233.00508	1.0
241.01462	1.1
244.00159	4.7
245.00806	4.7
257.00781	6.3
259.99588	8.2
261.00311	2.9
270.98822	2.3
271.99597	6.5
273.00467	2.9
275.99078	1.3
279.92657	1.0
283.99292	4.5
284.02051	3.9
285.00143	1.5
286.98492	2.5
287.99063	7.2
297.00470	1.2
298.98373	2.9
299.99020	10.3
300.01669	0.9
300.99875	100.0
302.00244	6.1
302.30118	1.0
312.01532	7.1
313.02011	1.1
315.98611	28.6
316.01886	1.1
316.98984	2.5
328.01065	1.6
328.99326	3.1
334.27142	0.9
337.99176	1.5
356.00424	25.4
356.04172	13.9
357.00842	2.5
377.93665	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.13751	0.6
59.01247	8.1
70.16284	0.9
70.16682	1.4
71.01249	5.3
85.02824	1.6
89.02323	2.5
90.71058	0.6
97.83649	0.5
101.02327	2.1
113.02330	2.4
119.03400	0.9
121.02837	1.7
124.72714	0.6
132.02058	14.0
133.02805	1.1
134.03625	51.9
135.03987	2.3
137.02351	6.9
139.03926	1.8
149.02306	1.3
149.05977	16.2
150.03096	0.8
150.06270	0.8
155.62338	0.6
160.01567	69.0
161.01881	2.8
164.04715	0.9
175.03914	100.0
176.04295	5.5
178.02626	28.3
178.04230	0.9
179.02972	1.1
191.07027	1.6
193.04979	86.5
194.05270	3.5
202.02574	0.6
209.03183	0.6
217.05014	5.7
218.05634	0.6
221.08015	0.6
227.50986	0.5
235.05940	2.8
265.07077	1.5
295.08142	2.1
314.93085	0.6
355.10413	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	355.1033
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.61316	0.4
55.92194	0.3
59.01249	8.4
67.92874	0.4
69.63499	1.2
69.63930	1.5
71.01250	5.3
85.02830	1.3
87.00780	0.4
88.03900	0.7
89.02310	3.2
101.02338	1.3
113.02330	1.9
115.00247	0.5
119.03406	1.3
132.02060	15.2
132.02922	1.5
134.03639	8.6
147.04379	0.8
148.05087	0.4
149.05978	1.2
160.01569	71.4
161.01955	2.4
163.03883	0.5
174.03050	0.5
175.03920	100.0
176.04317	4.1
178.02658	0.5
191.07120	2.2
192.99580	0.8
193.04994	15.8
194.05353	0.4
202.02617	0.7
207.06541	0.5
211.40021	0.4
217.05029	4.6
235.06091	2.6
236.06448	0.4
249.23190	0.4
265.07205	0.4
295.08203	1.6
355.06570	0.5
355.10233	3.4
356.10541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42875	0.3
54.69547	0.4
58.00467	0.5
59.01246	6.0
65.19610	0.3
71.01250	4.2
71.20191	0.4
76.68300	0.3
85.02832	0.8
89.02311	2.5
91.04117	0.3
101.02338	1.5
105.07095	0.3
113.02319	1.5
119.03378	0.6
132.02054	11.7
134.03624	6.4
147.04390	0.6
149.05989	2.1
160.01559	56.1
161.01872	2.4
174.03008	0.4
175.03911	100.0
176.04277	5.0
191.07086	2.0
193.04977	15.7
193.06772	0.6
194.05319	0.7
202.02728	0.9
207.06517	0.6
217.04987	6.1
218.05356	0.4
235.06134	3.9
243.69508	0.4
265.07083	0.9
295.08075	2.0
355.10287	5.1
356.10815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93774	3.1
51.19553	3.3
59.01247	35.7
68.99683	7.4
71.01254	60.3
71.55476	5.9
72.21857	3.9
72.99176	34.2
73.02811	20.0
75.00742	53.6
81.63255	3.3
83.01250	4.6
85.02815	24.4
87.00749	100.0
89.02313	20.8
90.95629	4.2
95.01260	5.8
97.02865	6.1
99.00759	52.2
101.02318	34.7
103.00263	12.0
105.01818	19.8
111.00780	13.0
113.02326	24.4
115.00243	11.0
117.01829	60.9
119.03368	3.6
125.02352	9.6
127.00256	5.1
129.01823	31.6
141.01819	15.5
143.03477	6.4
145.01343	9.9
147.02821	18.7
157.01311	4.0
159.02887	17.9
171.02969	5.6
175.02396	20.7
177.03978	29.1
179.05608	3.9
189.04022	4.6
205.03339	3.9
207.05002	4.5
217.03514	3.8
235.04497	6.8
235.84717	3.7
265.05795	5.2
266.38107	3.4
277.21515	4.0
355.08807	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	354.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11535	0.8
53.26148	0.8
54.06980	0.9
57.03319	1.1
59.01251	3.0
69.78370	1.7
69.78751	5.5
71.01265	1.0
84.04416	13.9
85.02850	1.2
85.91476	0.9
96.95912	2.6
105.03326	1.1
112.87341	0.9
123.00798	1.6
133.02919	1.1
138.03120	3.9
145.02849	2.1
153.05460	2.8
160.01561	3.1
161.02350	28.8
162.02170	60.0
175.03920	7.2
176.04681	5.0
176.38289	0.9
177.05489	26.3
179.01640	3.4
183.01125	2.2
194.00380	2.5
195.01161	10.9
209.00716	2.2
209.02699	34.8
210.03426	11.0
225.02209	2.6
225.05856	100.0
226.06236	5.3
261.49936	1.0
270.98853	1.1
299.19849	0.9
327.18713	0.9
354.02234	1.2
354.06247	1.8
355.06573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.9
57.03041	0.9
57.03322	12.8
59.01252	7.3
68.99679	0.6
71.01249	4.8
71.56207	0.9
72.99176	1.8
73.02802	0.8
75.00753	1.7
81.53756	0.6
83.01243	1.6
84.02041	2.4
85.02820	100.0
86.03158	2.0
87.00745	1.9
88.03895	0.9
89.02316	0.9
98.69832	0.7
101.02293	1.2
103.00259	2.0
111.00738	4.5
115.00242	0.9
117.90428	0.6
119.04929	4.7
121.02845	19.0
129.01825	9.8
132.02888	0.9
133.01292	1.5
134.03592	5.4
137.02316	0.9
147.02892	11.6
149.06000	1.6
163.03912	2.7
173.00854	2.2
173.04483	5.5
178.02615	1.3
181.04980	14.0
182.05385	0.8
191.01901	26.3
192.02293	1.0
193.04939	8.4
209.02969	25.1
210.03395	1.1
241.06923	0.7
311.07916	0.9
355.06326	0.9
355.10400	0.9
356.09930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.93299	0.2
53.00507	0.2
53.75211	0.2
59.01224	0.3
70.59037	0.5
77.70190	0.2
79.95616	0.3
81.95249	0.3
95.03244	0.2
96.95902	1.5
98.25334	0.3
107.04914	0.4
112.75751	0.2
147.08072	0.3
161.06042	0.3
163.11195	93.4
164.11528	5.2
177.09125	72.3
178.09468	4.1
190.09943	0.4
222.08972	0.7
261.28192	0.2
319.72815	0.3
353.21204	100.0
354.21555	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	353.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.5
57.03310	5.2
59.01254	30.9
68.99682	12.3
69.03310	7.3
71.01250	65.5
72.99179	47.5
73.02814	21.9
75.00740	43.6
75.01137	4.2
77.74039	2.8
81.03301	2.9
83.01251	13.5
85.02828	25.9
87.00751	100.0
88.01105	3.2
88.97531	2.8
89.02310	17.0
93.03349	2.7
93.68798	2.8
95.01254	9.0
97.02836	11.2
98.54228	2.6
99.00744	44.9
101.02332	26.0
103.00249	25.9
105.01807	14.5
109.02880	3.0
111.00764	23.9
113.02322	35.9
115.00262	30.6
117.01818	42.7
123.00801	5.9
125.02319	12.6
127.00285	18.5
129.01814	32.8
131.03467	3.3
139.00249	14.7
139.79253	3.2
141.01823	26.6
142.99684	4.6
143.03412	5.7
145.01326	19.1
147.02882	9.6
151.00273	4.0
153.01787	4.0
154.99796	5.6
155.03351	3.9
157.01317	11.2
159.02876	11.1
163.02484	3.2
165.01825	3.2
166.63457	2.6
167.03500	2.7
169.01332	7.5
171.02847	6.8
173.00803	5.0
175.02383	43.9
177.03944	9.3
187.02446	3.6
193.03461	4.2
199.02159	4.1
205.03461	5.5
223.02539	3.3
233.03043	3.1
235.04622	4.6
263.04080	5.4
345.48621	3.3
353.07074	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	352.1766
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
58.02833	0.7
59.01258	3.4
66.57288	0.6
71.00885	1.3
71.01250	13.3
71.56029	0.7
78.95748	0.7
79.95605	1.5
80.96371	0.9
83.04910	1.1
84.80341	0.7
88.03915	100.0
88.75413	0.6
89.04252	1.4
91.52292	0.7
94.34291	0.7
96.95884	3.0
96.99168	2.0
114.01856	5.8
115.00262	20.7
117.45981	0.6
118.52451	0.7
122.07528	0.6
132.02922	88.3
133.03239	1.7
137.69644	0.7
163.14854	3.5
188.28920	0.7
237.14912	6.5
293.56604	0.7
308.18622	4.3
352.17654	56.6
353.18021	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	351.1705
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01246	5.6
69.23602	6.0
69.24019	3.3
74.96069	1.4
99.09218	0.9
113.28561	0.8
121.10118	8.0
134.96858	1.0
171.10175	18.8
172.10553	0.9
186.95407	0.9
192.95738	1.0
229.04887	3.0
231.21053	1.2
253.06732	1.0
275.20154	19.0
276.20364	2.4
281.79749	0.9
293.21262	15.6
294.21597	1.1
300.59583	1.0
315.19391	1.4
320.75751	1.0
351.17038	100.0
352.17377	10.8
362.58206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.1
62.32109	0.7
69.27039	1.5
69.27439	7.9
71.01254	10.6
74.96049	4.5
89.94776	1.2
96.95885	2.1
98.19781	1.6
109.42638	0.8
109.47643	1.0
127.07534	1.9
128.97128	4.1
144.91174	0.7
164.08348	1.5
171.04436	0.8
177.09120	4.8
186.95488	2.6
192.11472	8.4
192.95761	5.9
193.12083	1.2
205.12273	3.4
207.13843	1.1
212.14847	0.9
218.09467	2.9
220.12939	0.8
220.14627	58.8
221.15405	100.0
222.15761	7.3
231.17511	2.6
235.13370	1.9
236.10498	83.9
237.10893	5.4
261.00388	1.0
275.16513	6.3
278.10522	4.8
279.11249	2.0
293.17575	21.3
294.05545	1.2
294.17886	2.4
305.48849	0.8
333.12366	6.6
342.74930	0.9
351.13437	58.7
352.13797	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79442	0.6
59.01251	100.0
60.01580	1.4
61.93982	0.7
67.52714	0.6
71.01257	1.9
73.44751	0.6
78.86713	0.6
85.02834	1.3
96.95957	0.9
101.02324	1.6
102.85748	0.7
113.02316	1.5
115.07481	0.8
119.03417	0.6
129.09111	99.1
130.09436	3.4
143.10614	0.8
161.02332	1.5
161.04456	1.9
189.01794	0.7
191.97356	0.6
261.00406	2.5
291.14401	2.4
359.28845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1705
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01252	4.8
63.53667	0.8
70.46099	0.7
71.05552	1.9
77.54444	0.8
95.04884	8.4
128.87694	2.3
167.10681	0.9
167.49205	0.9
171.00572	1.5
195.13852	8.1
196.14409	1.0
211.90427	0.8
218.81268	0.9
223.13377	4.6
225.01717	1.7
239.03395	1.1
246.12271	2.1
275.20154	3.2
278.11301	12.9
293.21216	46.7
294.21677	5.1
314.07739	6.4
315.19370	1.7
351.00433	1.5
351.17050	100.0
352.17380	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88388	0.6
55.01754	0.7
57.03309	1.6
59.01249	10.7
67.01745	0.9
68.99672	1.0
69.03324	1.5
71.01252	11.9
71.55751	1.1
72.99176	3.8
73.02797	1.1
75.00746	15.0
85.02821	13.9
87.00746	5.8
89.02322	1.9
95.01265	5.0
99.00759	8.4
99.06874	0.6
101.05960	100.0
102.05547	0.6
102.06293	2.0
103.00259	2.2
111.00759	0.8
113.02328	21.3
115.00234	2.3
117.01817	2.6
128.03415	0.6
129.01855	1.6
129.64278	0.6
131.16223	0.6
132.02112	0.7
135.90244	0.6
146.04497	1.9
151.19014	0.7
152.71916	0.6
157.01367	0.8
170.89346	0.6
175.02417	2.5
177.01759	0.6
205.06975	1.1
206.54698	0.6
225.45000	0.7
231.05093	2.0
242.11238	0.7
247.02301	0.7
249.06133	15.9
250.06525	0.8
259.99533	1.0
267.07230	2.2
275.02048	1.6
291.01431	0.8
291.10397	0.7
319.00861	1.6
332.18796	0.7
333.11761	3.2
351.03925	4.5
351.12936	67.4
352.13281	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	351.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.9
60.14270	1.6
65.00193	2.2
69.03339	1.9
71.56433	3.2
72.99184	1.5
76.06104	1.4
93.69297	1.6
99.00729	1.6
101.05961	4.1
101.37697	1.6
103.01764	2.0
103.88354	2.0
104.30505	1.7
108.02055	2.3
115.01772	5.5
123.00748	1.8
124.01557	2.6
128.56477	1.5
131.01300	3.1
131.04912	1.9
132.02058	11.8
133.02844	3.2
134.14388	1.5
136.01544	3.2
143.01253	7.7
147.00793	7.6
147.04454	1.8
148.01569	12.6
149.02374	4.2
152.01059	3.8
159.00748	8.1
160.01561	11.3
161.02339	4.6
163.00296	6.9
163.03893	2.8
172.01350	2.1
173.02271	2.4
175.00281	4.5
175.03917	5.3
176.01089	11.3
177.01860	12.8
187.00249	9.1
188.01030	12.7
189.01828	3.7
190.99754	3.1
191.03401	10.8
192.00581	3.0
194.99272	6.2
201.01866	2.7
202.99832	9.3
203.03371	8.0
204.00563	15.1
205.01328	10.3
206.99330	3.3
214.99852	4.2
216.00677	7.8
217.01244	2.8
218.99385	2.5
219.02904	7.2
219.99982	2.5
221.00867	2.9
230.99228	8.6
231.02864	10.9
232.00081	29.6
233.00722	7.3
242.99452	2.5
247.02428	27.3
247.99568	2.0
248.02922	3.6
258.98807	12.9
259.99551	14.4
261.00351	2.9
263.01929	16.4
264.02783	2.3
266.11908	1.8
275.01965	27.4
279.05051	8.0
286.98370	16.3
291.01471	19.0
292.02109	5.4
293.02841	1.9
307.04684	5.3
319.00928	38.3
320.01282	4.7
320.71707	1.8
351.03568	100.0
352.04071	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	351.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.8
65.00195	5.5
65.46201	2.3
71.55844	2.4
71.56234	3.5
75.02275	2.4
92.02160	2.3
99.00727	2.2
103.96931	2.1
104.20784	2.4
105.03362	3.1
115.01836	3.9
117.03335	2.4
119.01254	3.2
122.04740	5.4
131.01288	8.2
133.02835	4.9
136.98676	2.8
140.01053	3.5
141.01823	9.7
143.01276	4.5
145.02861	4.5
147.00854	2.9
149.02332	7.5
151.03860	2.5
151.08672	68.1
152.09084	2.4
159.00790	12.2
160.01521	2.1
161.02309	11.1
168.00555	7.0
171.00771	18.2
175.00291	4.9
175.03908	5.1
176.01056	8.0
177.01849	5.1
183.02907	100.0
184.03215	5.8
187.00261	10.1
188.00940	2.9
189.01825	5.3
191.03363	6.6
193.98462	4.8
201.01822	15.3
202.99750	7.3
203.03418	2.9
204.00479	3.0
205.05006	2.5
214.99817	7.9
216.00629	3.7
217.01399	6.3
219.02928	6.5
230.99260	13.4
231.93359	2.3
232.00012	4.0
233.00838	3.5
235.06090	4.1
242.99307	38.5
243.99881	3.7
247.02422	4.5
249.04178	4.1
258.98846	10.0
261.00455	8.7
263.01999	3.2
265.16602	3.3
275.01996	11.9
277.03577	10.2
279.04916	2.6
286.98297	4.7
290.16257	20.7
291.01410	3.5
305.03036	34.3
306.03534	2.2
307.04523	10.1
307.18991	7.7
319.01056	11.8
331.18570	2.1
333.02496	89.2
334.02759	4.7
351.03574	36.2
351.17883	21.0
352.04172	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	350.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.6
63.02350	2.0
71.55911	2.2
72.27732	1.9
91.94437	2.2
105.03373	4.6
112.17789	2.1
117.03348	6.7
119.01230	2.4
121.02789	2.2
123.04393	3.3
133.02858	20.7
140.34923	2.1
142.34085	2.2
145.02852	5.5
148.54979	2.5
149.02353	4.3
161.02345	40.3
162.02628	2.1
163.03960	5.5
173.02315	4.5
175.00264	3.4
177.01857	3.3
187.00430	3.0
189.01888	20.0
191.03500	3.6
202.99857	6.9
205.01334	8.1
207.03027	3.6
217.01364	13.3
230.99248	7.1
232.00037	2.2
233.00854	11.1
235.02538	2.6
242.99283	2.4
245.00932	10.3
246.01288	2.3
249.00478	2.4
259.99542	4.4
261.00381	100.0
262.00784	5.9
270.98834	6.6
275.96268	2.1
275.99152	3.1
276.99686	3.0
286.98340	10.8
288.99857	7.6
299.99072	17.3
300.99939	5.6
307.00925	2.7
307.04608	2.8
319.00903	13.6
332.98935	5.6
333.02570	2.7
350.99530	2.9
352.01001	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	349.1553
Annotation	Isostrychnine N-oxide
Peak:m/z	Relative Intensity
58.47087	0.9
59.01244	2.3
63.44631	0.9
71.56852	1.3
75.00816	1.0
85.50542	1.0
87.57510	0.9
89.97334	1.2
100.74849	0.9
111.00618	0.9
150.10475	1.4
163.11111	1.3
165.12766	23.6
166.13101	1.3
176.12070	0.9
244.10799	2.5
247.20586	10.9
253.62794	0.9
273.18561	3.8
291.19662	62.7
292.19952	5.6
313.17929	2.7
316.41403	1.0
349.15506	100.0
350.15860	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	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01762	1.2
57.03332	0.9
58.00472	1.6
59.01250	40.4
60.01591	0.6
69.03322	0.5
70.75799	0.3
70.97048	0.6
71.01250	20.3
72.99179	2.5
73.02827	1.4
75.34336	0.3
83.01255	1.7
85.02821	5.1
85.99928	0.3
87.00748	1.8
89.02315	14.5
89.66105	0.3
90.02696	0.3
95.01266	2.2
97.02776	0.3
99.00765	0.7
101.02319	13.7
113.02328	7.1
113.03062	0.6
119.03385	6.6
123.87157	0.3
131.03439	0.6
139.11194	1.1
141.12749	32.1
142.13097	1.4
143.03389	0.6
149.04504	0.4
155.04678	0.3
155.14342	0.8
161.04495	0.6
163.55510	0.3
169.12267	5.8
171.13832	1.6
179.05478	0.4
183.13864	2.8
185.11676	0.4
187.13316	60.7
188.13683	2.6
197.30647	0.3
229.14401	1.8
324.40988	0.3
349.18649	100.0
350.19012	9.4
350.22321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	10.9
59.01231	12.8
61.48354	6.5
66.62843	7.0
67.05642	6.8
69.03326	86.7
69.85239	10.7
69.85658	26.4
76.72456	6.8
77.67451	7.1
87.22953	8.3
97.02857	17.5
99.00748	14.7
102.05473	54.5
111.00756	8.9
117.03304	9.8
119.04902	17.7
128.03421	100.0
131.04918	12.7
134.06006	9.3
135.04398	19.7
145.02811	8.1
146.04482	75.9
147.04408	7.4
149.05983	49.6
155.01596	6.5
158.06052	33.1
161.02303	17.4
163.03934	12.2
175.03957	10.9
184.03917	18.8
185.00833	24.1
189.01871	14.2
190.02505	13.0
193.98576	8.9
201.01848	7.8
202.05048	26.6
203.01732	9.0
203.03487	10.9
209.05486	6.7
217.01465	16.5
218.02040	10.8
220.06073	16.3
226.13605	7.2
229.01392	10.4
234.01451	7.2
245.00877	14.2
246.01743	9.0
249.03978	28.8
259.02304	9.8
274.01254	12.0
290.00629	8.9
305.03030	17.6
331.09351	13.8
349.02100	12.8
349.10394	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48599	3.2
54.04657	3.1
59.01225	4.9
65.20600	2.7
65.52078	2.9
69.03326	88.8
70.90975	6.8
70.91315	3.5
72.99168	5.2
93.03329	4.1
95.07559	3.3
97.02824	17.0
98.02318	7.1
99.00754	20.0
100.03905	4.4
102.05491	41.4
107.04965	4.5
116.04936	8.1
119.04906	17.0
121.02853	6.8
128.03432	100.0
131.04909	10.8
133.02797	6.1
134.03612	5.0
135.04413	39.6
141.01811	4.8
144.04414	3.9
145.02802	9.1
146.04491	97.8
147.04404	4.7
149.05992	28.7
156.04468	4.8
158.06023	73.7
159.06374	3.8
161.02312	12.1
163.03899	4.9
172.02367	7.6
173.02403	3.8
174.05530	8.5
176.07059	8.4
184.03926	11.5
185.00873	39.7
189.01834	5.1
199.00352	4.2
201.01872	12.9
201.06685	4.3
202.05031	41.3
203.01877	10.7
217.01321	9.1
218.02113	4.0
220.06119	30.4
225.10320	5.2
227.06706	11.3
229.01366	14.7
243.11351	5.3
244.00186	6.6
245.00912	17.0
246.01517	6.7
247.02509	4.8
247.74187	3.3
249.03947	9.1
260.09143	7.0
269.09338	5.0
273.00327	12.6
287.01929	32.4
287.10297	20.3
303.96371	3.5
305.03082	31.6
308.07492	4.5
331.09351	28.8
349.01941	23.5
349.05862	5.8
349.10284	44.9
350.10736	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	349.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.6
55.39071	0.7
65.07100	0.7
69.03324	100.0
70.03656	1.3
71.01261	3.7
72.85883	0.7
72.99183	2.3
79.01762	1.3
85.02834	1.0
88.04711	0.7
95.01260	2.4
97.02826	23.7
99.00752	23.5
100.01106	0.9
115.00247	0.8
116.03382	0.9
117.03352	0.7
119.04926	6.2
123.00757	1.9
141.01804	8.3
151.00258	1.5
163.03958	2.7
166.99782	1.0
178.99762	1.7
185.00841	42.7
186.01247	1.4
194.99248	1.2
203.01900	30.9
204.02301	1.0
204.99945	0.9
206.99364	1.2
222.98798	1.4
246.84219	0.8
247.43898	0.7
261.04028	1.1
297.32666	0.8
305.03064	1.9
331.00824	1.7
349.01962	1.7
349.05817	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	349.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.5
67.01779	1.1
69.03326	100.0
70.03663	1.4
71.01254	2.0
72.99171	2.4
79.01767	2.1
85.02803	0.8
95.01254	2.4
97.02828	18.2
99.00754	22.1
117.61929	0.7
119.04906	8.4
131.78944	0.9
132.47580	0.6
141.01854	7.7
163.03897	4.4
173.36694	0.8
185.00841	36.3
186.01157	1.2
203.01956	2.8
216.79079	0.7
230.33557	1.0
349.05774	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	347.2589
Annotation	Carbocyclic Thromboxane A2
Peak:m/z	Relative Intensity
53.44665	0.4
59.01252	0.7
69.70715	2.5
80.96381	0.6
151.07521	0.7
238.57846	0.3
293.20712	0.4
311.22018	0.5
324.98099	0.4
347.25879	100.0
348.26254	12.1
356.79175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
59.01257	0.8
67.01755	1.2
69.03326	50.7
70.03664	1.3
71.01275	0.3
71.14351	0.7
80.96385	0.8
83.04900	0.8
85.02862	0.4
85.45596	0.3
95.04910	0.7
96.95883	2.0
120.05695	0.7
121.06478	1.0
122.06990	0.3
123.08028	1.7
131.08626	0.5
133.06476	3.1
134.07233	0.6
135.08057	10.1
136.05196	0.3
137.06097	0.3
137.09616	13.8
138.03102	0.9
138.09941	0.7
139.07542	0.5
144.95726	0.3
149.09622	5.4
151.07536	1.3
151.11188	0.6
153.09120	1.3
163.07610	0.4
163.11154	0.5
165.05458	0.3
165.09129	11.8
166.09476	0.9
167.10683	100.0
168.11012	5.8
179.07057	11.1
179.26326	0.3
180.07405	0.3
188.94724	0.5
191.14288	0.5
203.14235	0.5
233.11539	0.4
275.20029	0.4
285.18619	0.9
303.19696	3.7
319.91479	0.3
347.18607	25.9
348.18912	2.9
352.32846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.5
59.01241	1.8
67.01728	1.2
68.99641	1.2
69.03333	9.6
70.09487	2.2
70.09881	4.1
71.01255	3.7
71.04893	2.0
80.50115	1.3
80.96387	2.3
83.04901	5.4
85.02831	2.2
95.04904	2.3
96.95877	3.3
98.20502	1.1
99.00735	5.0
107.04895	1.1
109.06413	1.6
113.05944	1.5
119.08549	2.2
120.05692	3.1
121.06478	5.9
121.10005	1.0
123.08045	9.8
131.08585	2.4
133.06517	2.3
134.07280	2.1
135.08069	22.3
136.05217	2.4
137.09618	100.0
138.03093	1.1
138.09976	4.6
149.05978	1.9
149.09624	88.3
150.06630	1.1
150.09972	4.4
151.07553	3.8
151.11206	4.9
152.08305	2.4
153.09099	7.5
163.03949	3.6
163.11273	1.7
165.05472	2.5
165.09129	27.4
167.10690	68.7
168.11072	2.6
172.05194	1.0
179.10657	1.1
197.22441	1.1
203.10712	1.4
203.14325	8.4
205.12317	2.0
217.15936	1.3
233.15430	2.3
245.19087	1.3
247.50954	1.2
261.58292	1.0
273.18692	5.2
275.20200	3.6
285.18600	4.6
288.17288	1.6
303.19690	22.3
304.20111	2.1
309.10806	1.1
347.18610	98.5
348.19092	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05239	2.2
55.01759	5.3
57.03317	6.0
59.01244	30.7
67.24442	2.5
69.62679	6.2
69.63107	11.3
71.01251	46.2
72.99166	3.2
73.02818	23.0
80.96407	5.5
83.01244	11.7
85.02824	28.4
86.00005	2.9
87.00724	3.2
89.02313	4.3
95.01278	4.9
96.95924	4.9
99.00738	8.0
101.02323	51.2
107.01219	3.2
111.00747	5.0
113.02336	19.0
131.95534	2.5
139.00249	5.0
147.04292	3.1
151.00255	5.4
159.02847	2.7
161.04466	11.5
175.03833	2.6
178.99751	6.4
179.98808	5.6
181.57698	2.6
185.11781	4.8
208.02005	4.0
209.02707	34.7
223.04329	2.4
231.02979	3.0
232.24895	2.5
252.04587	43.2
267.06955	68.3
268.07202	7.2
275.01724	3.2
303.18048	5.9
332.01886	3.3
347.03510	7.2
347.17087	100.0
348.17480	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01766	1.0
56.88934	0.8
57.03327	1.6
57.75480	0.7
58.00456	1.6
59.01250	52.9
69.03320	1.4
71.01254	32.1
72.99179	6.9
73.02831	1.4
79.95621	2.3
80.96385	3.8
82.95978	1.2
83.01273	2.5
85.02832	8.2
87.00763	1.9
89.02313	26.7
94.23173	0.7
95.01263	2.8
96.95882	1.9
99.00737	0.8
99.08055	1.8
100.22445	0.7
101.02320	19.8
113.02328	11.4
119.03387	13.3
121.10105	0.8
122.26494	0.6
129.87550	0.6
131.03476	0.9
139.11169	6.1
143.03395	1.2
154.98010	1.2
166.88203	0.7
167.10687	100.0
168.11002	3.9
168.99451	0.7
178.98051	0.9
179.05566	1.2
180.99545	2.5
185.11754	23.7
186.12164	1.0
191.07027	1.3
194.97522	6.4
208.99078	8.0
217.58322	0.7
223.04108	0.8
224.05074	4.4
249.96153	0.9
250.03160	1.7
251.03545	0.8
252.04585	17.3
253.04948	1.2
265.05316	2.7
267.06955	19.5
268.07245	2.0
341.09113	0.7
347.02954	4.6
347.17096	80.3
348.17520	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.61449	0.8
55.01759	6.5
57.03313	5.0
58.00472	1.7
59.00955	1.4
59.01247	29.2
71.01250	61.0
71.11049	0.6
71.33057	1.6
72.01601	1.0
72.99181	2.4
73.02814	21.7
74.03152	0.7
75.00755	1.1
83.01259	15.2
85.02819	35.6
85.99960	2.6
87.00750	3.3
89.02321	5.4
93.79556	0.7
95.01256	5.0
96.95895	1.0
97.02852	1.7
99.00763	9.6
101.02316	52.9
102.02648	1.6
109.49536	0.7
111.00749	2.2
113.02322	21.9
119.03378	2.2
125.02325	1.1
129.01830	1.5
139.00172	0.7
143.03410	2.2
144.82401	0.7
154.59129	0.8
159.02843	3.4
161.04456	13.2
169.37679	0.7
185.11813	1.5
216.00533	0.9
232.00148	1.4
247.02556	0.7
259.99478	0.9
269.37152	0.8
303.18076	6.0
325.15274	0.8
347.00525	4.4
347.17075	100.0
348.17340	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.05239	2.2
55.01759	5.3
57.03317	6.0
59.01244	30.7
67.24442	2.5
69.62679	6.2
69.63107	11.3
71.01251	46.2
72.99166	3.2
73.02818	23.0
80.96407	5.5
83.01244	11.7
85.02824	28.4
86.00005	2.9
87.00724	3.2
89.02313	4.3
95.01278	4.9
96.95924	4.9
99.00738	8.0
101.02323	51.2
107.01219	3.2
111.00747	5.0
113.02336	19.0
131.95534	2.5
139.00249	5.0
147.04292	3.1
151.00255	5.4
159.02847	2.7
161.04466	11.5
175.03833	2.6
178.99751	6.4
179.98808	5.6
181.57698	2.6
185.11781	4.8
208.02005	4.0
209.02707	34.7
223.04329	2.4
231.02979	3.0
232.24895	2.5
252.04587	43.2
267.06955	68.3
268.07202	7.2
275.01724	3.2
303.18048	5.9
332.01886	3.3
347.03510	7.2
347.17087	100.0
348.17480	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	347.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
63.87999	0.7
70.23333	3.6
71.01250	2.5
79.95598	8.8
80.96395	4.2
83.01218	0.8
85.02809	1.1
96.95890	3.0
101.02285	1.0
111.04399	7.1
112.93636	0.9
113.02320	1.1
121.02847	0.9
137.09616	0.9
138.98480	1.5
149.02318	1.0
153.00078	3.4
154.97981	5.9
161.05849	0.8
163.07541	0.9
166.97993	2.5
167.10733	2.0
168.99585	3.0
170.00400	1.9
175.03851	0.9
175.07549	0.8
178.97998	4.0
179.98753	0.9
180.51770	0.7
180.99585	11.0
185.06064	1.2
189.01883	1.7
189.05472	1.7
191.07097	7.1
194.97516	24.3
196.99034	1.5
197.75655	0.7
201.05461	0.8
206.97545	2.1
208.99083	38.7
209.99490	1.7
219.06642	3.7
220.99066	1.2
222.03458	4.2
223.04332	1.9
224.05086	25.3
234.03458	1.6
235.00684	1.3
247.04301	1.0
249.96165	5.6
250.03032	10.4
251.03705	1.1
252.04604	85.9
253.04907	5.7
265.05399	12.7
266.05594	0.9
267.06967	100.0
268.07300	6.7
285.18631	0.9
319.47653	1.0
347.02640	24.7
347.18439	1.9
348.02884	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51763	8.4
59.01246	73.6
70.59449	33.0
71.01212	10.0
78.95779	8.8
86.92667	7.9
88.80980	8.2
90.97035	10.4
96.95823	11.2
123.04393	48.5
132.98074	16.4
139.11220	11.3
140.02919	12.6
172.10568	9.9
186.85571	12.1
186.95526	37.5
202.98643	15.2
209.19019	36.2
217.00002	9.1
222.16570	9.4
248.95966	61.0
253.18022	33.1
271.19150	59.0
274.93973	11.6
290.97089	100.0
291.19641	21.7
309.20667	40.6
311.16302	17.7
343.67252	9.8
344.94565	34.7
344.98587	10.8
345.15103	30.4
345.25833	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
50.64053	0.9
54.54939	0.8
58.00459	2.5
59.01249	63.4
60.01577	1.6
64.78426	0.8
66.06326	0.9
69.03297	1.4
69.37632	2.5
69.38046	5.6
71.01254	36.5
72.99165	3.7
73.02818	1.9
75.41721	0.8
79.95598	1.6
83.01257	1.6
85.02814	8.1
86.02039	1.1
86.34953	0.9
87.00751	1.5
89.02316	31.5
95.01250	3.1
101.01683	1.7
101.02317	20.8
101.02991	1.2
113.02322	11.7
119.03383	14.7
119.08527	1.2
121.10117	46.1
122.10401	1.6
131.03383	1.0
131.53561	1.1
137.09631	9.7
165.09117	67.5
166.09435	3.8
179.05519	1.3
183.10176	41.4
184.10478	2.2
225.11263	1.7
287.02072	1.3
345.15515	100.0
346.15866	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	345.1555
Annotation	Arg Gly Asp
Peak:m/z	Relative Intensity
54.47799	0.7
55.01744	1.9
57.03325	0.7
58.00464	1.9
59.01251	28.5
59.60656	0.6
59.90318	0.6
70.86762	0.8
70.87117	1.5
71.01254	22.8
72.99178	1.9
73.02820	5.6
83.01263	4.2
85.02825	9.6
85.99968	0.9
87.00737	1.0
89.02319	11.9
95.01263	1.6
99.00758	2.0
100.57780	0.7
101.02321	16.8
111.00844	0.9
113.02322	8.3
119.03375	4.3
121.10090	1.5
123.04392	0.8
139.11162	1.7
161.04445	2.0
165.09122	2.8
167.10648	1.8
183.10210	6.9
193.20534	0.7
229.80196	0.7
243.12346	1.4
255.92805	0.7
257.21329	0.6
301.07217	1.2
345.15533	100.0
346.15784	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	345.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57505	1.2
55.01768	1.8
59.01255	1.8
71.04900	10.4
71.35721	1.8
74.55533	0.9
83.01258	2.5
95.04902	2.6
97.02831	15.8
97.11970	1.3
99.71230	0.9
117.46222	0.9
123.04425	1.5
135.04384	0.9
139.00328	2.3
139.03905	100.0
140.04253	3.7
144.82632	1.0
149.54323	1.0
160.18837	0.9
163.03917	2.2
182.99306	1.5
183.02904	1.7
234.65799	1.0
278.99707	1.0
345.08191	6.9
346.08411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03326	0.7
58.00464	1.2
59.01253	4.2
71.01252	1.0
71.36705	0.7
73.02811	0.9
82.67751	0.3
83.04897	0.9
83.06821	0.3
89.02271	0.3
97.06457	0.4
99.08067	0.5
101.02303	0.5
121.02855	0.6
121.10091	1.1
123.08059	0.7
125.09589	6.3
127.11179	9.3
129.09035	0.3
137.09645	2.1
139.11183	7.0
140.11508	0.5
151.11197	0.6
153.09096	0.8
155.10678	2.9
157.12256	0.5
165.09125	3.3
171.10184	23.9
172.10533	0.7
181.12337	0.4
183.10309	1.5
184.88557	0.7
196.63358	0.4
199.09700	2.9
201.02426	0.7
201.11261	48.2
202.11623	2.0
211.13402	0.6
213.14842	0.6
275.20163	3.7
293.21228	3.4
294.21692	0.5
311.22281	5.7
312.22592	0.4
325.23749	0.6
343.24863	100.0
344.21310	0.6
344.25223	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03304	0.5
59.01249	7.7
69.03313	1.7
71.01243	1.1
71.14858	0.9
81.03313	0.6
83.04887	1.8
89.02295	0.6
97.06486	0.8
99.08034	8.8
101.02323	0.4
111.08035	0.5
119.03393	0.5
121.02827	1.5
121.10117	2.2
125.09633	1.8
127.11182	0.9
137.09628	1.0
139.11201	0.9
140.89595	0.6
149.13277	0.5
151.11218	1.0
165.12782	0.9
167.10852	0.4
171.10181	18.5
172.10477	1.0
175.11180	1.3
184.16121	0.4
193.12271	15.2
194.12634	0.5
197.15363	0.8
201.02466	0.7
209.11739	0.5
211.13332	3.6
225.14908	21.1
226.15182	0.8
243.15988	8.1
244.16461	0.4
293.21289	2.4
311.22189	0.9
343.24881	100.0
344.25229	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
56.87999	0.3
57.03311	0.3
59.01251	3.8
63.04578	0.2
68.49998	0.2
71.01241	0.3
71.56757	0.5
73.59626	0.3
74.02452	0.2
80.96378	0.4
83.04879	0.7
85.06454	0.4
85.86878	0.3
89.02298	0.4
99.08025	1.0
101.50311	0.3
110.05595	0.3
113.09650	0.4
121.02849	0.6
121.10121	1.5
125.09620	1.2
127.11154	1.8
137.09628	1.0
139.11183	43.9
140.11523	1.8
144.99777	0.3
153.09145	0.4
159.28619	0.3
165.09142	0.3
171.10175	53.7
172.10539	2.5
177.12666	0.5
183.13795	0.8
184.60304	0.3
198.09521	0.3
201.11234	0.7
211.13335	4.3
245.71014	0.3
292.90836	0.3
307.22711	1.4
311.22165	0.8
313.23779	0.3
324.23901	0.3
325.23773	0.4
343.24866	100.0
344.25223	8.7
355.64285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.93260	0.5
58.00476	2.0
59.01254	3.2
70.90278	1.1
89.02292	0.5
97.06497	0.9
99.00714	0.5
99.08035	15.5
111.08020	1.0
113.79797	0.6
127.07530	1.9
129.09094	12.9
151.11200	0.6
153.12738	0.7
181.12239	11.0
182.12686	0.7
183.13837	2.5
193.12218	3.2
211.13326	11.1
212.13640	0.7
213.14902	21.8
214.15225	0.9
261.02945	0.6
275.20123	1.4
293.21167	2.2
311.22260	3.7
343.24869	100.0
344.25192	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	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.22215	7.4
71.01261	3.4
78.94079	0.6
89.02312	5.5
101.02330	1.8
113.02350	1.8
119.03410	1.4
155.32529	0.6
156.94621	0.7
187.00394	0.7
202.18594	0.6
219.85268	0.7
257.00821	0.7
263.08527	0.7
270.98862	1.5
298.98410	1.1
299.98938	1.0
300.99988	2.9
302.99963	0.9
326.97992	1.3
344.00580	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	343.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.5
59.01250	100.0
69.95248	7.2
71.01262	6.7
87.40916	6.5
89.02265	7.6
113.77627	6.2
121.02839	21.5
122.03220	6.9
141.06320	6.6
178.88330	10.1
184.88530	10.7
201.02550	13.9
213.14888	12.7
245.19160	7.1
260.41138	6.4
263.90048	7.0
289.18118	31.2
307.19226	24.8
343.24930	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
58.02842	1.4
59.01247	7.1
60.01593	0.6
70.02852	1.3
70.75130	1.3
71.01250	18.3
72.01624	0.5
80.96376	0.7
88.03914	100.0
88.53177	0.5
89.02307	2.2
89.04240	1.3
96.07958	0.6
96.95884	0.8
96.99180	2.3
101.02310	0.9
113.02335	0.8
114.01859	1.4
115.00256	19.9
116.00586	0.7
116.07067	1.2
119.03373	0.9
121.02792	0.9
132.02910	9.9
168.13829	0.7
171.10124	0.5
179.05582	0.7
181.15880	1.7
185.84898	0.5
208.16986	1.2
210.12111	1.4
226.18092	9.8
227.16481	28.7
228.16812	1.6
240.77461	0.5
280.19159	0.8
298.20200	12.0
299.20605	1.8
324.18176	1.9
342.19193	94.7
343.19458	9.0
343.24844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	7.7
69.03342	4.0
71.01257	9.9
72.00779	22.1
72.99189	8.4
82.02853	4.8
84.04401	5.2
85.02823	8.4
88.88199	3.6
89.02279	3.7
93.03326	22.0
95.01257	4.7
96.04429	12.2
97.64412	3.7
98.02362	4.9
100.03908	5.8
101.02371	5.3
102.05502	46.0
107.04906	13.5
108.02050	15.8
108.04388	4.6
109.02838	16.3
114.05479	7.7
119.04919	22.5
121.02854	25.9
123.00761	4.3
123.04420	33.2
126.05522	9.2
128.03436	100.0
132.02934	4.8
133.02852	28.9
134.03618	4.9
135.04420	35.2
136.04739	6.0
137.02345	10.1
146.04494	100.0
149.02367	11.7
151.03882	39.2
158.04485	14.0
161.02325	12.6
163.03925	10.6
172.02455	5.6
175.32622	3.7
176.03484	6.3
177.01875	18.5
178.02316	5.1
179.03348	4.2
186.04027	5.6
202.03528	13.7
210.30389	4.4
218.08275	5.7
229.58542	6.8
264.08691	5.4
280.08566	5.8
292.08252	15.3
308.07617	10.5
309.08536	4.8
324.07281	6.6
342.08487	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	342.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98920	8.9
59.01246	44.0
59.55260	9.3
69.70276	8.4
71.01247	18.6
71.15059	22.2
72.00781	35.5
72.99183	9.6
76.08108	8.5
80.32650	8.6
81.68961	10.1
85.02795	9.5
85.93745	8.9
89.02325	22.1
93.03323	21.2
96.04433	17.2
96.78251	8.8
102.05461	48.0
107.04921	12.7
108.02029	17.0
121.02833	16.8
123.04416	44.6
128.03433	100.0
133.02855	18.9
135.04407	32.2
136.04749	15.2
146.04485	93.2
149.02364	12.1
151.03941	32.3
158.04460	20.4
162.05539	26.5
177.01878	25.5
179.03302	11.8
180.03780	15.2
195.03006	14.3
202.03537	20.3
292.08301	13.3
342.08154	18.3
342.12006	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40147	0.6
56.46715	0.7
58.00460	1.6
59.01245	4.0
65.31664	0.7
67.05384	0.6
67.95753	0.7
69.03321	8.5
69.73185	4.9
71.01240	2.4
83.04871	1.0
89.02316	2.3
101.02293	1.3
107.08547	1.3
108.05696	2.7
108.81527	0.7
119.03393	0.9
119.08546	13.0
120.08858	0.9
121.02822	0.8
125.09647	3.7
127.11157	5.9
135.08026	5.3
137.09621	50.9
138.09938	1.7
138.35129	0.7
155.10739	1.2
165.09138	1.0
171.10178	100.0
172.10504	4.4
179.05565	1.5
185.11673	1.0
199.09634	1.5
200.10300	0.9
201.11250	40.0
202.11575	2.5
213.14804	0.9
229.19537	0.8
273.18594	5.7
291.19662	9.0
292.20032	0.9
309.20685	24.3
310.21103	2.0
341.10922	1.1
341.23309	34.8
342.23697	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
69.03326	24.1
71.01249	1.1
71.12499	0.6
71.12830	1.4
83.04906	1.0
84.02044	1.7
86.82307	0.5
89.02339	0.9
93.03336	1.1
97.02810	1.1
108.05685	1.0
109.34526	0.6
119.08565	3.8
125.09650	1.3
127.11166	1.7
135.08054	1.6
137.09622	26.5
138.09944	1.1
153.09026	0.7
171.10184	64.9
172.10533	2.3
201.11230	1.1
208.59717	0.6
291.19528	1.1
305.21262	1.5
309.20810	1.3
341.23312	100.0
342.23697	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
58.00471	1.5
59.01250	11.2
62.59953	0.2
69.03312	0.3
70.59480	0.8
71.01256	9.4
71.01649	0.5
72.01579	0.3
72.99172	0.7
73.02818	3.9
73.64798	0.3
75.00716	0.3
84.02042	1.4
85.02825	1.5
87.00753	0.5
89.02319	9.9
90.26979	0.3
95.01252	0.4
95.04934	0.3
95.17771	0.3
97.06457	1.1
98.17928	0.3
101.02323	4.6
113.02329	2.9
115.07550	0.4
119.03389	4.3
119.04983	0.3
121.02828	0.5
121.06451	0.4
125.05964	0.5
127.07555	0.7
131.03387	0.8
137.09651	0.4
143.03374	1.1
147.11697	0.3
161.04469	1.5
169.08580	0.4
171.10185	2.9
172.10501	0.3
179.05524	4.2
183.13834	2.7
185.11707	0.4
201.11220	0.4
211.13489	0.6
223.17047	0.6
235.16988	1.1
235.20639	0.4
237.18645	1.5
245.19118	0.5
247.20624	1.0
249.08855	0.3
251.20108	1.2
253.21704	1.0
261.18317	0.4
263.20172	1.5
267.19513	0.4
273.18570	5.6
274.18814	0.6
279.19586	0.6
281.12637	0.4
281.21213	3.9
282.21417	0.3
289.18073	1.5
290.18478	0.3
291.19620	3.9
292.20142	0.5
307.19168	0.8
309.10260	0.6
309.20667	4.2
323.22290	1.7
341.11026	4.7
341.23300	100.0
342.11087	0.4
342.23642	8.9
345.25574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83255	0.5
54.26480	0.4
59.01242	2.1
61.59362	0.5
69.03336	2.6
71.01244	1.1
71.06116	1.1
81.03313	0.8
83.04879	1.2
84.02039	6.6
85.02856	0.7
89.02309	1.0
97.02834	2.1
97.06464	12.4
97.07092	0.6
99.04375	1.8
111.08053	0.6
119.03438	0.6
119.08598	1.2
125.09606	1.8
127.11176	0.7
137.09610	1.4
149.13255	0.9
165.12704	0.6
166.98836	0.6
171.10187	21.0
172.10512	0.9
175.11142	1.0
183.13783	0.7
185.11670	0.8
193.12277	15.5
194.12680	0.8
197.15439	0.9
211.13310	3.4
221.11792	1.6
225.14905	23.4
226.15207	1.4
243.15987	8.4
253.14391	1.2
291.19705	1.7
291.84415	0.6
305.21512	0.7
323.22342	0.8
341.23303	100.0
342.23624	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	341.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32183	0.5
59.01249	6.0
69.35988	0.5
69.60080	1.0
69.60493	2.7
71.01264	4.6
83.01234	0.9
85.02801	0.5
89.02318	6.3
91.05373	1.0
98.95417	0.5
101.02288	2.0
107.01223	0.6
112.93616	0.6
113.02303	1.8
119.03400	2.1
123.00765	1.0
133.51695	0.4
137.02275	0.5
143.03348	0.5
145.02867	3.6
171.08015	0.5
179.05525	2.1
180.05821	0.4
181.08470	0.6
183.30952	0.5
194.07149	0.5
196.05161	1.3
197.05954	0.5
207.08057	0.6
208.05170	0.7
209.11703	0.6
210.06761	0.7
210.98752	0.8
221.05931	0.5
222.06697	1.7
223.07602	0.6
224.04741	6.1
224.08263	1.2
225.09155	1.8
227.10748	2.2
234.06818	0.5
235.07600	0.9
236.08263	0.6
237.05562	0.8
238.06267	7.7
239.06941	1.1
239.10704	2.7
241.08699	3.4
242.09103	0.7
250.06149	0.7
251.07027	2.0
252.04243	1.7
252.07852	0.9
253.08708	1.2
254.09483	1.9
255.10234	10.2
265.04877	0.9
265.08691	1.1
266.05850	6.7
266.97647	0.8
267.06470	0.6
267.10330	0.9
269.11765	4.3
270.05280	2.9
270.12732	3.7
281.08179	1.2
282.08902	2.1
283.09744	51.5
284.10071	4.3
293.08270	0.8
294.09003	2.3
295.09711	5.7
296.10388	4.1
297.11267	2.2
298.12045	4.7
309.11224	2.7
310.08316	1.3
310.12097	3.2
311.09241	100.0
311.95905	0.5
312.09634	8.7
325.10815	16.1
325.14685	0.9
326.11563	76.8
327.11813	7.4
341.01526	1.9
341.13931	83.6
342.10492	0.5
342.14301	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05615	0.8
59.01251	100.0
59.32958	1.1
60.01595	2.1
60.37572	1.1
70.25542	3.8
71.01246	20.8
72.99174	1.1
79.95604	2.2
80.96386	1.1
82.96000	1.0
83.01263	3.3
85.02821	4.7
87.00746	1.4
89.02316	20.4
89.02838	2.0
95.01277	1.4
96.95879	4.3
98.95458	2.7
101.02324	9.7
112.92852	2.1
112.93613	33.3
113.02330	8.7
118.97975	1.0
119.03400	10.0
119.04915	96.5
120.05252	3.3
131.03342	1.4
139.00194	1.3
143.03392	2.3
161.02313	1.2
161.04437	4.0
170.02148	1.2
179.05484	8.8
185.16356	1.0
209.11737	7.0
214.01193	1.1
285.02481	2.3
300.99557	1.1
309.08472	1.7
313.02090	9.6
341.07144	11.3
341.10953	13.3
342.07413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01753	1.4
55.68392	1.0
57.03330	2.4
58.00466	4.0
59.01247	100.0
60.01579	1.6
62.33074	0.9
70.41972	3.9
71.01251	60.3
72.99171	3.8
73.02850	1.6
83.01263	1.7
85.02814	8.6
87.00748	4.4
89.02312	76.5
90.02639	1.6
95.01273	4.3
101.02322	26.1
109.50406	1.2
110.60361	1.0
113.02327	21.5
119.03381	23.6
125.02341	1.4
131.03394	3.3
135.04416	3.4
139.78560	1.2
143.03404	7.3
149.04430	2.6
161.02397	1.3
161.04453	11.4
179.03490	4.3
179.05522	30.5
341.11014	30.4
342.11432	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.01743	0.4
54.74910	0.4
57.50905	0.4
59.01238	3.9
71.01260	3.3
71.55163	0.5
78.08192	0.4
84.86983	0.4
85.02821	0.8
89.02309	4.0
96.58234	0.4
101.02320	2.2
104.75848	0.4
107.04888	0.7
113.02324	1.7
119.03377	1.6
129.55074	0.4
133.02843	0.8
134.03593	2.9
135.04410	89.4
136.04742	3.1
146.04472	0.5
161.02316	2.8
161.04382	0.6
178.02652	0.5
179.03409	100.0
180.03706	3.8
185.99313	0.4
195.31050	0.4
341.08575	11.1
342.09045	0.6
354.28717	0.4
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	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01249	6.6
70.91585	1.2
71.01255	4.0
84.41471	0.5
85.07845	0.5
86.95370	0.5
89.02319	3.7
90.43479	0.5
101.02312	1.5
107.81987	0.5
113.02311	1.4
119.03367	1.4
126.05717	0.5
132.02089	1.1
133.02843	24.2
134.03162	0.7
135.04402	7.4
136.04701	0.6
137.02509	0.6
161.02345	100.0
162.02682	3.9
177.05411	1.3
179.03421	20.6
179.05269	0.9
180.03737	0.7
203.03369	2.7
208.87099	0.6
221.04456	1.5
251.05579	1.1
273.39670	0.6
274.90735	0.6
278.68130	0.5
281.06607	2.1
296.60004	0.6
341.08646	11.2
342.08957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40155	0.3
59.01258	0.6
61.66873	0.3
63.96085	0.3
64.89633	0.3
66.52360	0.3
71.01263	0.3
71.36363	0.3
71.36691	0.4
79.95607	4.5
80.02528	0.3
80.96387	4.6
81.45439	0.3
83.04889	1.3
84.02054	0.6
86.98955	0.4
96.95896	2.6
99.99725	0.3
109.06466	0.4
111.92829	0.9
112.93610	100.0
113.92732	0.3
113.93507	0.7
118.43760	0.3
125.46844	0.3
163.11200	1.2
165.12746	0.5
172.99648	0.4
191.59631	0.4
193.08052	0.4
200.25084	0.3
207.10240	0.6
209.11758	18.0
210.12125	1.2
217.09073	0.4
227.12814	0.8
241.09079	0.5
287.25717	0.4
323.06213	1.1
341.07309	37.9
342.07599	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.52549	0.5
70.99945	1.2
71.00299	0.8
73.35513	0.6
82.98717	0.5
103.99052	0.5
126.69128	0.6
141.01961	0.5
163.11188	100.0
164.11533	5.5
182.99675	0.6
339.23260	48.1
340.23505	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	339.2177
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
51.87495	2.6
57.03330	2.6
57.92628	2.1
59.01254	13.3
70.05598	10.7
71.01282	3.6
81.03326	3.1
83.04882	2.9
85.02805	2.7
95.04891	2.3
97.02851	4.8
113.06007	2.8
121.02815	2.8
123.04423	4.7
123.08057	3.1
125.09609	7.6
126.27370	2.3
137.09628	8.0
139.07516	4.4
155.10698	3.1
163.11171	9.5
175.11247	2.4
183.01044	12.4
185.11867	12.9
191.10770	4.2
191.14313	12.7
207.10193	7.3
209.11684	3.2
225.11281	8.4
241.14417	2.5
245.19049	35.9
246.19514	2.9
247.17245	2.8
289.18079	100.0
290.18448	11.0
307.19086	32.4
308.19492	2.7
321.20731	8.8
324.19379	6.2
339.16431	20.1
339.21744	65.5
339.32498	2.8
340.16818	3.9
340.22116	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	339.2174
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01260	7.1
67.28934	1.2
69.64309	9.5
73.02851	1.5
87.04293	1.3
92.94231	1.2
94.04037	1.2
94.97102	1.2
95.04902	1.4
96.95921	1.5
98.20515	2.7
101.05939	2.4
102.77449	1.2
102.91193	1.1
121.02828	1.8
135.04402	2.0
139.11209	2.7
143.06987	1.3
155.10684	7.0
168.45802	1.3
169.12236	2.4
174.27187	1.3
177.09300	1.3
178.09810	6.8
183.01097	4.0
191.14255	1.6
193.15924	1.9
213.11296	1.6
219.13817	3.2
223.30896	1.2
235.13329	12.7
237.14914	100.0
237.58554	1.3
238.15233	6.9
238.17392	1.4
249.22446	1.3
253.14426	7.2
259.20810	1.3
265.01697	1.5
294.38843	1.4
297.65234	1.3
303.19684	3.0
321.20676	88.8
322.21057	8.1
339.08725	1.3
339.16290	4.2
339.21744	8.1
339.32919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.09867	0.8
71.01247	5.7
71.55286	0.9
72.99168	1.3
73.02851	0.7
73.13721	0.7
73.50423	0.7
82.61269	0.7
85.02848	0.9
101.02316	2.4
115.00252	2.2
121.02860	1.3
132.02881	0.9
133.01366	4.0
149.02330	5.4
159.02989	0.8
161.04503	1.1
164.04675	4.4
175.52893	0.8
176.91890	0.8
212.70461	0.8
223.06047	5.3
223.07756	0.6
279.14648	2.7
303.28845	0.8
346.15302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1998
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
54.96053	0.2
59.01237	0.2
65.12911	0.2
67.29417	0.2
68.15773	0.2
70.58707	0.7
77.36086	0.2
79.95547	1.4
119.04920	1.3
149.09668	1.8
163.11191	0.9
164.08318	0.7
170.00342	2.3
177.09097	2.8
183.01134	57.3
184.01543	2.4
197.02699	1.9
199.35103	0.2
201.99263	0.4
211.04305	0.3
216.00905	0.9
225.05891	1.0
239.07378	1.4
239.78554	0.3
253.09003	0.3
263.98572	0.2
275.23889	0.4
339.19955	100.0
340.20328	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	339.0719
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
52.88830	0.6
53.42958	0.6
59.01238	1.5
69.32303	2.4
69.32725	4.4
71.01250	32.0
89.10582	0.6
91.05392	0.9
112.93589	0.9
115.00244	8.9
117.03368	2.0
118.90856	0.7
121.02842	16.1
127.09036	0.7
132.02040	1.8
133.01314	2.4
133.02876	1.4
147.04404	4.8
149.02339	84.2
150.02704	3.3
152.01057	1.2
163.03923	1.5
164.04689	51.2
164.85417	0.7
165.05013	2.7
179.07034	4.0
193.01361	4.2
193.12209	0.7
208.03680	7.7
223.06056	100.0
224.06435	5.1
255.17474	0.6
287.11951	0.7
303.54700	0.7
311.05569	1.1
338.05161	0.7
339.04919	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	338.088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43335	1.2
70.95954	1.1
71.01254	22.5
71.04933	2.0
83.36985	1.0
84.04423	3.1
86.20565	1.0
88.03918	4.2
114.01853	41.4
115.00258	47.1
115.02177	1.4
121.02843	9.9
132.02013	2.4
132.02919	21.1
138.03085	3.5
147.04395	2.6
149.02342	68.3
150.02744	2.0
151.03903	2.2
152.50786	1.3
153.05478	4.5
163.03908	1.5
164.04697	80.1
165.05237	3.4
166.06291	1.7
175.00250	2.5
175.03952	1.7
177.01888	9.0
179.07048	67.5
180.07388	2.6
187.27747	1.2
190.02585	7.6
191.05707	1.8
192.02837	3.2
192.04369	1.5
192.06584	5.5
198.67673	1.2
202.05000	6.5
204.02946	1.8
205.04974	8.2
206.08267	1.9
207.02882	1.4
207.04959	1.7
207.06657	3.6
207.08965	3.1
217.07420	2.4
219.05287	1.4
220.06091	2.1
222.07645	31.0
223.06059	51.9
223.07764	2.0
224.06380	2.8
250.10907	2.0
276.08755	16.7
294.09793	11.2
316.58075	1.1
320.07858	1.6
338.08807	100.0
339.09174	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	338.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.4
59.09878	0.4
60.16300	0.3
67.73868	0.3
69.24418	0.4
71.01254	6.0
71.33662	0.9
72.00790	0.5
73.20094	0.4
75.24805	0.3
80.65308	0.3
88.03910	27.8
89.81979	0.3
114.01852	4.1
115.00259	12.7
116.00584	0.5
121.02834	1.1
132.02919	100.0
133.03278	2.3
135.66711	0.3
149.02339	8.4
164.04694	10.0
177.01814	0.5
179.07050	5.6
188.56932	0.4
190.02621	1.5
192.07967	0.4
199.29536	0.4
205.04893	0.9
220.86603	0.5
222.07693	1.2
223.06047	3.8
246.01352	0.8
274.00705	0.5
276.08914	0.5
294.09937	1.2
306.03336	0.5
338.05493	0.5
338.08939	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	338.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44436	1.7
69.44839	0.5
71.01252	4.6
72.36250	0.2
73.96687	0.2
88.03912	24.0
89.04224	0.3
114.01848	4.1
115.00257	10.6
121.02844	0.6
124.72748	0.3
128.03404	0.3
132.02917	100.0
133.03265	1.9
149.02339	6.9
150.02690	0.3
164.04686	7.2
165.05042	0.3
175.00374	0.5
177.01845	0.5
179.07047	4.4
190.02687	1.4
205.05020	1.1
222.07648	0.7
223.06078	3.2
276.08737	0.5
294.09790	1.5
338.08853	7.6
338.12814	0.5
339.09033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55485	0.5
52.38663	0.6
54.10935	0.5
57.71770	0.5
59.01249	100.0
60.01581	0.5
60.20279	0.5
63.65641	0.5
71.01259	2.4
71.56930	0.9
73.02827	0.8
80.58387	0.5
83.01273	0.5
85.02818	1.0
86.38741	0.5
96.95927	0.8
101.02355	2.2
109.76575	0.6
111.00771	0.6
113.02330	1.1
132.02959	0.8
132.34717	0.5
143.03481	0.5
159.28577	0.6
159.29974	0.5
161.04506	1.5
164.67288	0.6
169.11557	0.6
204.72894	0.6
277.16522	5.7
314.67899	0.6
328.85507	0.5
337.07944	1.5
338.20074	0.8
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	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
57.16446	0.6
59.01231	2.5
61.83480	0.6
69.92676	2.9
92.27281	0.7
96.26460	0.6
107.47279	0.6
123.44003	0.5
125.98719	0.6
162.56741	0.5
177.88754	0.6
195.43806	0.6
219.13858	0.7
245.35762	0.6
255.23233	2.3
305.21207	7.6
337.23810	100.0
338.24191	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	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.8
58.00459	3.5
59.01250	89.1
69.23683	4.4
69.24107	6.8
71.01252	56.9
72.99184	6.2
73.02821	1.6
83.01257	2.1
85.02821	19.7
87.00760	3.0
89.02316	50.0
93.03329	3.2
95.01258	4.3
101.02319	37.3
101.02994	1.7
111.04391	1.0
113.02333	16.4
119.03383	27.5
119.04881	3.1
121.02873	1.4
124.06373	1.1
131.03384	2.8
131.59830	1.1
133.01306	4.6
137.60223	0.9
143.03452	1.7
149.04405	1.2
150.53624	1.0
161.04459	2.3
163.03873	2.9
173.04483	1.2
175.09724	2.5
175.45749	1.0
179.05585	3.5
191.01877	4.0
191.05528	42.7
192.05994	1.2
311.01880	1.1
337.15018	100.0
338.15402	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	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
55.63086	0.8
57.03313	3.8
58.00452	3.2
59.01248	79.8
68.99668	1.1
70.37518	1.0
71.01253	50.4
71.13301	0.9
71.32416	1.0
71.55978	1.1
71.56333	1.1
72.99178	6.2
73.02802	1.2
83.01256	4.8
85.02821	24.9
87.00762	2.7
89.02312	52.8
90.62846	0.9
95.01250	3.5
99.00742	1.3
101.02317	33.9
102.02677	1.0
110.23833	1.1
111.00761	2.2
113.02321	19.4
119.02567	1.9
119.03391	23.9
119.04887	9.5
125.02279	1.0
129.01794	3.2
131.03392	2.3
132.02924	1.3
137.02313	1.0
143.03413	1.7
145.02887	8.6
147.02837	1.4
149.04504	1.0
154.85022	1.0
161.02327	1.1
161.04501	2.2
163.03909	9.8
170.67581	0.8
173.00720	0.9
175.09647	1.1
179.05464	2.8
179.06943	1.1
183.21541	0.9
191.01929	3.8
191.05556	1.2
205.01326	1.2
231.06631	1.9
259.99408	1.1
261.00482	1.9
337.15024	100.0
338.15298	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	337.0927
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
59.01241	0.9
71.01250	0.9
81.03304	0.5
83.04896	0.8
85.02821	1.8
86.47575	0.3
88.03917	1.6
93.03329	3.3
94.02340	0.4
95.86296	0.4
105.69756	0.3
108.72501	0.4
111.04401	2.1
114.01861	0.6
115.00256	0.9
119.04911	51.7
120.05252	1.7
123.00790	0.4
127.03922	0.6
132.02916	5.1
135.04482	0.5
137.02306	0.5
140.04315	0.4
149.02309	0.7
155.03430	1.8
163.03914	100.0
164.04231	4.1
171.02904	0.5
173.04466	4.4
179.07088	0.5
191.05539	13.7
192.06065	0.5
217.06927	0.3
223.06114	0.7
233.09714	0.4
238.85548	0.4
264.88324	0.4
315.79755	0.4
333.69318	0.4
337.09207	3.1
338.08911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.1
71.01251	1.4
83.04900	0.9
85.02813	5.4
86.29148	0.6
87.00739	0.8
88.03927	3.7
93.03327	4.5
111.04388	3.6
114.01878	1.1
115.00259	2.7
117.03362	0.6
118.31949	0.5
119.04911	60.7
120.05246	2.2
127.03867	1.2
132.02907	15.4
133.02798	0.6
137.02394	0.6
145.02815	1.2
147.02873	0.9
149.02338	2.5
153.53340	0.6
155.03377	2.7
161.02338	1.2
162.03099	0.8
163.03914	100.0
164.04393	4.9
171.02965	1.4
173.04460	4.5
174.54297	0.5
179.07048	2.2
189.01859	0.9
190.02646	1.1
191.05534	39.8
192.05814	0.7
205.04942	0.6
217.01575	0.6
222.07617	0.8
223.06024	1.2
249.04207	0.6
261.00360	1.8
268.71268	0.6
285.97443	0.5
305.02789	0.6
337.01654	0.6
337.05521	1.1
337.09338	5.4
338.08783	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	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65222	4.1
58.07792	3.5
59.01248	16.2
68.99689	5.2
70.95619	5.0
70.95970	6.3
71.01247	11.8
85.02825	16.4
87.00742	6.1
95.55899	3.5
99.00751	7.8
101.02325	5.9
102.03342	3.9
111.00805	4.3
113.02331	11.3
113.99448	30.0
115.00237	11.9
125.02204	3.8
127.00214	7.4
136.61823	4.4
157.01297	5.4
163.88681	3.9
174.01662	21.3
175.02382	11.5
175.08163	3.6
277.05640	21.6
337.07776	100.0
337.13583	4.0
338.08014	5.3
342.27148	4.0
351.45352	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.97996	0.9
55.01732	1.2
55.14609	0.6
57.03311	0.8
59.01250	7.6
60.05649	0.7
68.99683	3.1
70.73215	1.8
71.01250	10.3
71.01617	1.3
72.99158	1.5
73.02807	1.9
75.00760	1.8
83.01261	2.3
85.02824	8.3
87.00756	6.5
89.02303	6.4
95.01259	1.9
97.02850	0.8
99.00765	7.3
101.02330	4.0
111.00764	4.4
113.02311	7.8
113.99460	14.7
115.00253	8.9
117.01767	1.2
127.00245	6.2
128.07048	0.9
129.01836	3.2
139.00275	1.7
141.01843	1.2
157.01329	12.2
161.04449	0.9
169.01318	0.9
174.01611	20.5
174.03116	1.1
174.07690	0.9
175.02368	6.9
177.01831	0.9
179.05481	1.0
277.05615	16.8
278.43222	0.8
332.13135	0.8
337.07748	100.0
338.08173	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04116	2.0
51.27507	2.0
55.93655	2.1
57.03320	3.8
59.01251	4.1
65.00189	6.4
67.01761	1.8
69.46552	16.7
69.78994	1.8
71.01246	9.1
75.00769	2.0
83.01240	2.0
85.02820	19.6
88.03902	12.4
95.01259	10.1
97.02834	7.4
97.99963	1.9
101.02302	2.2
108.67021	1.6
111.00777	6.5
114.01854	8.9
115.00240	10.1
117.03334	5.2
119.04907	4.1
121.02892	2.4
123.00764	7.3
129.01834	7.4
132.02917	49.4
133.02861	4.5
140.01025	2.4
145.02849	11.8
147.00810	2.6
147.04471	1.9
149.02325	17.1
151.00273	2.5
153.01848	19.5
155.03401	2.7
157.02835	2.2
161.02353	15.7
163.00270	8.2
163.03972	10.7
164.04716	17.5
167.54405	1.9
168.00513	3.7
173.02351	13.2
174.03094	3.0
175.03813	2.7
175.17538	2.1
177.01880	4.3
179.07065	13.8
181.01346	33.6
182.01622	2.5
183.02934	26.7
185.02332	2.9
187.00244	1.9
189.01859	21.6
190.02605	17.9
191.03430	4.7
192.00557	4.6
194.99184	3.1
201.01877	15.6
203.03400	3.9
205.01305	3.2
205.04991	3.7
206.99290	2.4
207.02843	2.1
208.00084	3.7
214.99733	2.4
215.03731	2.2
217.01372	47.8
218.02129	18.7
219.03035	2.7
221.04466	2.0
222.01677	5.0
222.07629	6.4
223.02380	5.7
223.05980	8.9
229.01344	21.9
231.02982	5.3
233.04489	8.4
234.01514	2.6
235.02551	4.5
245.00858	42.4
246.01665	16.6
249.04012	13.2
259.02338	2.7
261.04013	26.8
263.41766	2.0
273.00406	68.0
274.00705	2.3
277.03595	9.6
287.01996	4.4
294.09808	3.4
305.03021	64.6
306.03381	4.5
309.05951	2.0
337.05630	100.0
338.05344	3.8
338.09140	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	337.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	4.3
66.62644	1.4
67.01751	2.8
69.03313	1.9
70.42515	3.5
71.01243	4.9
75.00757	2.3
83.01260	2.1
85.02809	2.3
88.03896	5.4
95.01276	10.1
97.02829	8.5
97.99977	3.4
107.01263	2.3
111.00761	18.0
111.36534	1.5
114.01849	3.9
115.00249	4.5
117.03345	5.1
119.04967	2.0
121.02827	2.0
123.00742	6.0
123.01553	1.5
124.01487	2.7
127.00237	2.3
132.02917	17.8
133.02840	4.6
137.02345	2.1
139.00287	7.1
139.03893	2.9
141.01828	1.8
142.18825	1.6
145.02852	13.5
146.03574	1.9
147.00781	1.8
147.04430	2.7
149.02315	7.4
151.00327	7.8
153.01846	18.1
155.03416	5.7
157.02838	2.0
161.02354	12.6
162.03096	1.9
163.00259	6.4
163.03888	3.6
164.01068	1.8
164.04736	6.9
165.01837	3.0
167.03436	3.5
168.00558	3.3
171.02925	36.9
173.02354	12.1
174.03090	2.2
175.00256	1.5
175.03935	3.3
177.01840	3.9
179.07039	5.8
181.01367	27.3
182.02020	2.7
183.02907	33.9
184.03302	2.5
185.02351	2.2
185.53516	1.6
189.01868	14.8
190.02733	7.6
190.99950	1.6
191.03426	3.9
192.00545	2.4
193.01306	2.1
194.99210	4.1
201.01878	17.5
203.03403	4.2
205.01280	2.7
205.04994	4.1
207.02921	2.1
217.01372	39.6
217.04805	2.3
218.02107	13.6
219.02887	3.2
221.04459	3.3
222.01581	4.9
222.07748	2.0
223.02434	3.6
223.05984	3.5
225.04042	9.7
229.01360	16.3
231.02962	4.2
233.04475	10.4
234.01657	1.9
235.02425	5.5
242.76591	1.6
245.00862	31.7
246.01595	17.9
247.02267	1.7
249.04053	12.5
259.02448	3.2
261.04034	27.4
262.04242	2.5
273.00403	58.6
274.00720	2.4
276.08783	2.1
277.03616	13.3
287.01917	2.3
289.03427	1.7
305.03021	65.8
306.03412	4.8
309.06082	4.0
337.05634	100.0
338.05942	6.1
338.08917	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48732	0.3
59.00417	0.3
69.32079	1.9
69.32496	1.2
78.47213	0.3
107.69481	0.3
111.00780	2.2
124.01522	1.9
127.00263	0.9
136.98711	1.1
139.00238	2.0
140.01054	3.4
151.00192	0.4
154.99770	0.3
168.00575	5.1
169.08852	0.3
183.02913	100.0
184.03250	4.5
335.03946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0407
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
57.25978	1.4
65.00191	2.3
69.96618	1.5
87.54100	1.6
89.89176	1.5
101.76410	1.4
131.01299	4.4
132.02072	3.1
143.01245	4.5
147.04425	1.6
148.01564	2.7
159.00783	6.2
159.04399	3.0
160.01617	2.5
161.02325	6.0
163.00287	1.5
163.03893	2.7
171.00789	9.8
172.01131	1.7
173.02376	2.6
175.03925	4.5
175.64784	1.8
176.01048	4.8
186.94667	1.7
187.00275	13.2
187.03915	3.4
188.01013	8.5
189.01863	6.3
190.99707	4.7
199.00394	3.0
203.03334	3.1
204.00601	1.8
205.01270	1.8
206.16202	1.6
214.99773	14.8
216.00563	20.9
217.01276	6.1
219.02901	5.4
229.51822	2.0
230.02107	3.0
231.02861	2.2
232.00127	3.9
233.00862	4.9
233.97969	5.5
242.99319	25.4
244.00053	11.0
245.00742	3.7
247.02440	3.6
248.03171	2.6
259.99594	18.5
261.00253	10.8
270.98837	17.4
271.99478	4.4
275.01956	33.4
276.02209	3.0
290.70181	1.7
303.01471	18.3
304.02090	3.0
307.04376	3.8
335.04059	100.0
336.04395	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	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54932	0.2
52.13198	0.2
55.04800	0.2
60.10682	0.2
64.84858	0.2
65.00214	0.2
67.01765	0.2
71.01240	0.3
72.99162	0.2
83.01269	0.3
84.45454	0.2
86.20495	0.1
89.52128	0.2
98.19751	0.4
109.99951	0.4
111.00768	2.0
124.01521	2.2
127.00238	0.5
136.98709	1.3
139.00269	1.8
140.01048	2.8
168.00545	4.8
183.02899	100.0
184.03229	3.8
335.04080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0616
Annotation	Cedrin
Peak:m/z	Relative Intensity
52.25201	0.2
53.16976	0.2
56.64503	0.2
59.01257	0.4
65.03812	0.2
67.01764	0.5
68.99702	0.5
69.03318	1.3
69.17043	0.2
70.01103	0.4
70.01492	0.5
77.03842	2.3
79.01740	0.3
81.03316	0.5
83.01250	1.9
85.02793	0.2
93.03335	3.3
95.01267	1.6
97.02825	12.4
98.03204	0.4
99.04393	0.6
101.02338	0.2
109.02838	2.8
121.02843	12.1
123.00775	0.8
125.02332	0.4
137.02342	39.4
138.02650	1.5
139.03902	0.5
141.01830	0.6
153.48247	0.2
161.02364	0.4
163.00334	1.0
164.01028	0.2
165.01843	100.0
166.02180	4.0
189.02025	0.3
197.04486	35.5
198.04826	1.4
200.70375	0.2
209.00870	1.3
214.99791	0.6
223.02429	0.5
228.15131	0.2
230.99179	0.3
257.04654	0.3
261.00473	0.3
286.98312	0.7
301.03525	5.5
302.03796	0.5
314.97760	1.5
332.97421	0.2
333.02454	0.4
333.06058	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	332.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05864	1.6
59.01240	2.0
65.00188	2.3
69.23805	2.2
69.24212	15.9
89.03844	3.8
93.03327	2.2
95.04921	2.0
103.01770	3.7
105.03349	9.8
115.01842	2.0
117.03345	8.4
119.01278	3.6
119.71589	1.6
121.02844	4.1
123.04449	3.3
131.01280	7.0
132.02121	2.7
133.02858	24.8
134.03154	1.6
143.01295	5.2
145.02850	12.5
147.00809	6.2
148.01559	3.1
149.02362	8.2
151.03938	1.9
159.00824	10.6
160.01534	2.8
161.02341	37.7
163.00235	2.1
163.03860	4.9
164.01071	2.4
171.00803	4.7
172.01503	2.1
173.02321	7.1
175.00282	5.8
176.01044	3.2
177.01845	19.5
187.00291	28.4
188.00816	4.3
189.01842	28.2
192.00546	6.0
201.01828	2.4
202.99783	6.2
204.00766	2.5
205.01329	17.9
207.02983	2.0
214.99806	43.5
216.00479	4.8
217.01361	27.7
218.99319	3.7
220.00073	2.0
221.00941	3.1
222.98683	1.7
229.01361	1.8
230.99297	16.3
231.99962	4.7
232.98695	2.3
233.00874	25.7
242.99353	16.2
244.00076	2.4
245.00818	19.2
246.01379	1.9
246.98831	6.5
247.99559	14.4
249.00298	6.2
258.98883	3.5
259.99506	6.4
261.00375	100.0
262.00714	6.5
262.29480	1.9
270.98798	33.9
271.99417	5.1
273.00604	1.6
275.99103	24.6
276.99948	12.8
286.98328	86.6
287.98859	6.5
288.99878	33.9
289.02884	3.3
290.00320	3.8
299.99106	5.9
314.97824	66.4
315.01456	3.7
315.98358	8.9
332.99036	58.6
333.15448	2.2
333.99249	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	331.0669
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.78910	0.6
59.01247	13.1
66.36974	0.6
67.88093	0.6
69.44125	5.7
69.44458	1.1
71.01253	10.8
73.02812	0.7
85.02794	1.4
89.02320	6.4
95.01248	1.6
101.02301	3.2
107.01273	5.0
111.00728	0.9
113.02337	3.1
119.03412	1.4
120.62961	0.7
123.00768	9.0
123.66853	0.7
124.01546	2.2
125.02332	48.4
126.02668	1.5
127.00256	1.0
137.02415	0.8
139.00262	3.1
140.01099	1.9
141.01810	2.1
151.00287	11.1
158.85590	0.7
168.00557	9.7
169.01329	100.0
170.01666	2.4
183.02904	1.7
193.01303	1.1
194.71434	0.6
211.02415	10.7
217.03954	0.6
241.03503	9.9
271.04562	6.2
313.05634	1.0
331.06686	63.5
332.06992	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	331.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04499	0.5
58.00449	0.5
59.00991	0.6
59.01251	7.2
67.01794	0.6
70.95853	1.4
71.01254	5.1
72.99176	0.7
83.01263	0.7
85.02846	0.6
89.02313	4.5
95.01283	1.0
101.02343	1.7
107.01269	1.7
113.02326	1.5
119.03381	1.1
123.00764	5.1
124.01565	1.1
125.02334	21.2
126.02720	0.6
129.98380	0.5
139.00276	1.1
139.62384	0.6
151.00276	9.1
156.60992	0.5
166.99680	0.5
168.00549	3.4
169.01328	67.5
170.01645	1.7
181.01228	0.6
183.02930	0.8
189.21072	0.6
193.01361	0.6
211.02408	6.5
223.02394	0.7
234.59184	0.5
241.03499	8.3
248.46338	0.5
264.42276	0.5
271.04623	7.1
292.03796	0.6
331.06683	100.0
332.07034	6.6
338.51151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11659	0.2
62.80166	0.2
65.00198	0.3
69.16116	0.2
71.06056	0.5
107.01272	1.2
108.02046	0.3
114.40156	0.2
120.02027	0.2
123.00764	0.3
124.01551	4.6
132.30472	0.2
135.00761	0.6
136.01549	0.7
140.81422	0.2
147.00740	0.4
148.01527	0.8
149.20901	0.3
151.00250	1.6
152.01094	1.5
159.04427	0.3
159.80070	0.2
163.00261	1.3
164.01065	2.5
175.04024	0.3
178.99776	2.1
181.13713	0.2
185.02390	0.4
187.03931	0.6
189.01791	0.3
192.00578	0.3
199.03989	0.3
203.03494	1.6
204.04175	0.8
213.01810	0.4
214.02640	8.5
215.03328	1.4
216.03983	0.3
217.01392	0.5
222.24326	0.2
227.03416	0.9
229.01433	0.2
231.02907	0.4
232.03680	0.8
236.15085	0.2
241.01404	0.4
241.99791	0.4
242.02162	6.3
243.02950	5.5
244.03522	0.8
259.02463	9.2
259.05237	0.5
260.02905	0.7
270.01666	8.7
271.02457	46.5
272.02847	3.2
287.01959	27.8
288.02426	3.3
315.01477	0.7
316.02216	100.0
317.02557	8.4
331.04562	54.8
332.04913	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	331.0459
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
57.14373	0.1
59.01244	0.3
60.12992	0.1
60.38301	0.1
63.02271	0.3
65.00194	0.6
70.92352	0.3
70.92693	0.2
71.01263	0.4
71.01641	0.2
71.51138	0.1
72.60479	0.1
83.01251	0.3
87.28017	0.2
90.36137	0.1
95.01247	0.3
101.02316	0.3
103.98344	0.1
104.76390	0.1
107.01269	0.9
108.02039	0.3
109.02850	0.2
111.00774	0.4
113.02338	0.2
116.97017	0.1
119.01220	0.1
123.00766	0.9
124.01552	4.4
125.02360	0.3
135.00795	0.5
136.01582	0.7
137.02325	0.2
139.00262	0.3
143.04948	0.3
148.01561	0.8
151.00264	2.5
152.01067	1.4
153.01820	0.2
159.04349	0.4
161.02386	0.2
163.00299	1.3
164.01067	2.9
165.01773	0.5
169.01384	0.7
171.04475	0.3
173.02325	0.2
175.03912	0.6
177.01880	0.2
178.99786	3.0
185.02396	0.4
186.03142	0.2
187.03954	0.5
188.04520	0.2
189.01865	0.3
192.00583	0.4
199.03889	0.5
200.04367	0.2
201.02003	0.2
203.03474	1.6
204.04138	1.0
213.01875	0.5
214.02658	8.2
215.03357	1.4
216.04039	0.5
217.01387	0.3
218.02124	0.2
219.02852	0.2
223.75830	0.2
227.03442	1.0
229.01335	0.4
230.99290	0.4
231.02972	0.7
232.03694	0.6
236.03409	0.2
241.01433	0.6
242.02170	6.5
243.02957	4.2
243.33075	0.2
244.03583	0.7
258.01428	0.2
259.02475	8.6
260.02924	1.1
269.99365	0.2
270.01675	7.2
271.02466	41.0
272.02795	3.1
287.01971	25.0
288.02466	3.5
299.01907	0.3
299.99142	0.6
303.01382	0.4
312.17682	0.2
315.01523	0.8
316.02219	100.0
317.02551	7.2
331.04565	59.9
332.01556	0.3
332.04913	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	331.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22388	2.5
62.33386	2.5
63.02248	7.2
64.63310	2.5
65.00190	8.3
70.07609	5.0
70.07999	8.1
71.01260	3.5
81.03331	3.1
83.01249	6.8
95.01260	13.8
107.01276	18.4
109.02843	8.1
109.99962	9.0
111.00775	6.1
117.02389	2.9
123.00771	56.2
125.02260	5.0
137.02327	12.7
137.99533	3.0
139.00267	10.1
147.04369	3.4
149.02377	5.6
151.00284	79.1
152.01060	4.6
155.03380	4.5
159.04431	3.2
161.02373	3.9
163.00352	3.1
164.98178	6.1
165.01860	15.1
165.99023	4.9
169.01334	13.7
175.03976	5.1
177.01852	4.0
178.99785	100.0
180.00389	5.7
185.02383	3.9
187.03944	5.8
189.01834	5.8
189.36201	3.0
190.99724	6.0
201.01927	5.4
203.03441	16.2
205.01369	4.1
211.02425	5.9
213.01791	5.6
215.03444	5.5
217.01346	6.0
219.02907	6.8
229.01357	6.7
230.02243	2.8
231.02931	12.6
241.01408	4.2
247.02318	5.1
258.01535	3.5
259.02463	19.3
275.01944	8.4
285.00513	3.9
287.01996	26.9
303.01501	27.7
304.01904	4.1
312.99942	5.3
331.00922	75.2
331.06845	6.2
332.01541	22.9
342.84583	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	331.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16745	0.3
65.00166	0.6
70.91452	0.7
72.36446	0.4
86.75406	0.3
103.05345	0.5
104.83740	0.3
115.05359	1.0
117.03312	0.6
119.04862	1.4
123.64169	0.4
130.04099	0.4
131.04890	3.4
132.02007	0.4
133.02800	0.5
143.04858	1.3
145.02766	0.6
146.03693	0.5
147.04417	3.0
157.02821	1.0
158.03564	1.1
159.03159	0.5
159.04417	8.8
160.01556	0.6
169.02779	0.7
171.04390	1.2
172.01463	0.4
173.02234	0.5
174.03157	0.8
175.03932	5.8
177.01770	0.8
178.33128	0.4
185.02368	2.2
186.03098	0.6
187.02493	0.5
187.03951	6.3
188.00891	0.4
193.05034	0.6
197.02332	0.7
199.04041	0.6
201.01782	1.0
202.02628	2.3
203.03423	25.6
204.03706	1.5
213.01877	3.5
214.02629	0.9
215.03441	4.3
216.00551	2.3
217.01280	0.4
230.02126	0.9
231.02931	17.2
232.03252	1.0
241.01373	2.1
242.02213	0.7
243.02878	2.0
244.00093	1.7
245.00833	0.5
246.91896	0.4
247.26982	0.4
257.00906	0.5
258.01691	2.6
259.02457	26.3
260.02768	1.6
261.37741	0.4
274.01102	0.5
287.01956	100.0
288.02277	6.5
303.01328	1.0
331.00946	20.4
332.01385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.95019	0.4
57.03328	0.4
58.00467	1.0
59.01253	4.3
69.28513	0.4
69.28907	3.6
71.01230	0.5
72.99153	0.5
83.04889	0.4
96.95884	0.7
97.02814	0.6
99.08028	4.3
113.09557	0.4
121.10087	0.5
125.09610	1.6
127.07522	0.7
127.11171	3.8
128.64926	0.3
129.09097	3.3
137.05806	0.4
137.09586	0.6
139.11195	3.1
155.10655	1.0
165.09128	0.8
167.10698	1.2
167.14417	0.5
169.12288	2.6
170.88300	0.5
170.91025	0.5
170.97760	0.7
171.10178	14.6
175.07532	0.4
175.28036	0.4
181.12268	2.8
182.04524	1.0
183.10089	0.7
183.13815	0.7
193.12262	1.5
197.11694	0.8
199.13333	10.7
200.13629	0.5
201.11249	11.9
202.11629	0.5
211.13326	7.7
227.12779	0.5
229.14403	0.8
275.20148	1.5
285.18387	0.6
293.21194	2.9
311.22260	3.1
329.23318	100.0
330.23654	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03289	0.5
58.00461	1.4
59.01240	1.9
71.43567	0.6
74.36915	0.4
83.04867	0.4
84.02008	0.4
88.10911	0.3
92.99822	0.4
96.95916	0.4
97.06461	0.4
99.08060	0.7
121.10103	0.4
123.08016	0.4
125.09608	4.1
127.11166	7.3
129.09131	0.6
137.09637	0.9
139.11166	6.9
143.10703	0.7
151.11205	0.3
152.08398	0.3
155.10689	3.8
157.12193	0.4
165.09085	1.9
167.10751	0.5
169.12228	0.7
170.91068	0.4
171.10179	36.8
172.10461	1.1
183.10201	1.0
185.11739	1.2
199.09625	1.0
199.13327	1.5
201.11255	25.6
202.11557	0.9
211.13278	1.3
212.89476	0.4
213.11275	0.9
218.70674	0.4
275.20145	2.3
293.21219	2.1
311.22324	2.2
329.23303	100.0
330.23660	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	329.2332
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
53.70210	0.5
55.75220	0.5
57.03309	0.7
65.14034	0.6
65.62902	0.5
69.49296	4.3
71.04888	0.7
81.85677	0.5
83.04867	0.9
85.02828	0.6
97.06495	0.8
99.08020	6.2
125.09609	1.5
127.11145	4.0
136.52362	0.6
139.11159	3.9
155.14302	0.9
167.14319	2.1
171.10164	10.4
177.78206	0.5
183.13800	6.2
193.12224	1.7
199.13332	0.9
209.11758	2.1
211.13321	34.9
212.13777	1.5
229.14392	18.0
230.14836	1.2
293.21198	0.7
311.22269	1.0
329.23303	100.0
330.23663	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12313	1.4
59.01250	100.0
70.79515	3.4
71.01247	5.9
85.02815	2.7
101.02324	2.7
105.54870	1.5
113.02296	2.7
114.28419	1.4
128.40742	1.5
161.04466	2.9
167.03404	2.0
269.10266	4.4
272.98563	1.8
291.03531	1.6
327.84927	1.7
328.99515	1.9
335.77011	1.9
336.64127	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	329.1759
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
55.03410	2.0
57.03323	1.8
59.01258	14.4
67.00664	2.4
69.03295	2.3
70.08887	3.8
70.09281	3.8
71.01257	3.5
73.02820	2.4
81.03339	3.8
83.04876	7.3
93.03352	3.1
95.04901	4.6
96.95885	5.1
99.08029	2.4
107.01249	5.5
108.40315	2.5
109.02779	2.5
113.05955	5.8
117.00356	2.1
121.02798	3.2
123.04420	16.4
125.02334	5.1
125.09608	2.7
125.87329	1.8
133.06432	3.3
135.08044	6.4
137.09608	5.8
145.04863	2.2
149.09558	3.1
151.07555	7.1
151.11154	2.8
153.09137	18.2
161.06032	2.6
161.09601	5.1
163.07536	21.9
165.09143	3.6
167.10686	56.3
170.91002	3.5
170.97739	3.6
171.10202	5.2
177.12805	3.0
179.10675	20.3
187.11224	4.3
189.09224	2.6
191.14346	7.0
201.14780	3.1
203.14343	19.0
205.12260	8.3
221.15439	15.5
229.12315	2.3
240.15776	2.3
247.13371	3.9
248.14076	2.3
283.17026	3.2
284.20837	2.1
311.16437	14.3
314.15067	5.6
329.14484	3.7
329.17499	100.0
329.23270	19.1
330.17813	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	329.0668
Annotation	Aromadendrin 3-acetate
Peak:m/z	Relative Intensity
51.65479	1.1
53.96902	1.0
59.01254	6.8
65.00182	1.3
69.56663	8.3
71.01260	1.3
84.11406	1.2
88.02719	1.3
93.03334	4.4
96.95877	1.7
98.20496	2.1
113.02328	1.3
119.04906	1.2
121.64494	1.1
122.03616	1.2
123.00677	1.1
125.02316	1.2
143.04839	1.4
167.10608	1.2
167.27814	1.2
169.01413	2.2
171.04449	1.2
177.01944	1.1
193.98430	1.7
197.05956	1.6
199.03915	1.7
203.07054	1.2
209.04521	1.8
211.03886	1.4
225.05525	4.8
227.03452	25.7
228.03963	1.9
235.02515	1.5
241.05035	2.3
243.02812	1.7
254.79677	1.0
259.06061	5.2
269.04556	48.9
270.05060	3.2
271.02277	2.1
287.02271	2.0
287.05573	21.8
299.99063	1.5
314.00504	1.7
315.01352	3.4
329.03220	5.6
329.06644	100.0
330.06924	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	329.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	34.3
61.02124	8.9
69.12574	11.0
71.01261	62.5
71.56082	14.7
71.65993	10.1
72.99185	48.8
77.47405	10.1
80.84940	9.9
89.51801	9.0
93.03346	27.3
95.04890	10.5
107.04884	13.9
109.02823	18.6
114.54411	10.3
115.00268	76.1
121.02838	13.6
123.04413	40.7
128.53909	9.9
133.01323	100.0
133.02814	11.3
135.04411	27.4
151.03917	47.3
167.06866	11.1
179.03415	21.1
181.18298	10.0
195.02940	11.2
290.00616	15.2
302.94647	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	329.0303
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
59.01237	1.1
69.58846	2.4
70.85188	0.3
98.19878	0.6
125.98050	0.4
171.00888	0.5
187.00320	1.2
198.46873	0.4
199.00266	0.9
214.99744	2.3
226.99802	0.5
228.99576	0.4
242.99289	13.1
243.99576	0.5
258.01721	0.7
260.18082	0.3
270.98825	92.4
271.99170	5.8
283.99609	1.1
285.00363	2.3
286.01138	1.0
288.52209	0.3
298.98312	92.2
299.98682	6.2
312.99872	2.9
314.00668	100.0
315.00974	7.1
320.19766	0.4
329.02994	62.8
329.23257	1.2
330.03317	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
56.23463	1.1
57.03314	4.0
59.01238	2.7
69.03320	3.8
69.82984	4.9
71.01250	2.2
71.04880	1.0
81.50874	0.8
84.02023	5.7
85.02815	6.6
97.02811	1.3
97.06470	1.2
98.20457	1.0
99.08025	3.9
111.08035	1.6
113.09608	2.0
119.08512	1.2
125.09624	7.2
127.11167	3.5
137.09595	7.6
139.11197	1.4
141.09097	1.5
150.97507	0.8
153.09203	1.8
153.12701	1.7
155.10687	4.3
157.12181	0.8
165.12703	2.2
167.10638	1.0
168.91425	0.9
169.12219	1.3
169.39583	0.9
170.28207	0.9
171.10176	42.3
172.10435	1.3
183.10217	4.5
185.11761	12.1
193.12428	0.9
197.11765	9.7
201.11244	12.0
209.11803	3.2
211.13348	3.3
213.11186	2.7
227.12820	2.7
229.14420	2.7
247.20587	1.3
263.20206	1.0
291.19644	5.8
309.20752	3.6
327.21744	100.0
328.21970	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59556	0.5
55.01755	1.1
56.77436	0.5
57.03319	6.7
58.00464	0.6
60.94002	0.6
66.66516	0.5
69.03325	7.6
71.27934	1.1
74.72229	0.6
77.68693	0.5
83.04885	0.7
84.02039	1.1
85.02821	30.2
88.68044	0.6
97.02820	3.3
97.06454	1.6
97.27187	0.5
108.05662	1.0
119.08575	1.7
125.09588	1.8
127.11179	2.9
128.26540	0.5
137.09616	7.9
138.09914	0.7
171.10182	57.1
172.10506	3.0
183.13875	1.0
189.62646	0.5
201.11214	3.5
206.29622	0.6
211.13316	6.2
221.11783	1.3
229.14417	3.1
239.12837	1.1
247.20197	0.7
291.19720	2.0
309.20721	0.7
327.21753	100.0
328.22095	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
58.00471	0.6
59.01249	1.6
69.03326	5.2
71.05903	0.4
71.06243	0.5
80.02540	0.2
81.03340	0.3
83.04891	1.1
85.02821	0.7
97.06463	0.3
107.08549	0.6
108.05697	1.2
111.08047	0.3
119.08551	6.5
119.09405	0.3
121.06455	0.5
123.08083	0.5
125.09623	4.8
127.11178	3.6
135.08070	1.8
137.09619	26.3
138.09955	1.0
139.11194	0.2
153.09154	0.8
155.10744	0.5
157.12233	0.3
165.09058	0.6
171.10178	100.0
172.10539	4.3
183.10278	0.5
185.11702	1.0
197.11772	1.1
199.09637	0.6
201.11253	22.7
202.11673	1.1
210.05161	0.3
211.13382	0.4
213.11263	3.9
229.14276	0.4
229.19669	0.3
239.16568	0.9
273.18695	2.1
291.19653	3.4
292.19882	0.5
309.20706	7.3
310.21118	0.4
320.45639	0.2
320.73077	0.3
327.21762	52.4
328.22110	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.70198	0.4
55.01754	0.6
57.03333	3.1
69.03326	3.9
71.00705	0.4
71.01028	0.7
83.01266	0.6
84.02052	0.8
85.02821	14.7
89.12164	0.4
90.65736	0.5
94.98160	0.4
95.04921	0.8
97.02824	2.3
97.06466	2.9
97.12119	0.4
111.60074	0.4
119.08579	0.9
125.09588	1.9
127.11182	1.5
137.09613	4.8
165.12619	0.7
167.14328	0.7
171.10179	36.0
172.10509	1.3
182.65443	0.4
183.13800	2.6
183.15198	0.4
185.11748	1.0
193.12260	0.8
201.11299	1.2
203.10730	0.7
209.11766	1.0
211.13344	12.2
212.13522	0.6
221.11778	2.4
229.14401	9.2
239.12891	1.6
291.19644	2.2
309.20624	0.6
327.21750	100.0
328.22122	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	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.75698	0.3
55.01787	0.3
57.03316	0.3
59.01254	0.7
69.03322	0.6
71.01245	2.1
71.04887	1.2
71.54478	0.3
72.91794	0.3
73.02817	29.5
73.82015	0.3
74.03176	0.4
74.28574	0.3
84.02039	0.2
85.02832	0.7
87.26509	0.3
111.82695	0.3
116.33418	0.3
119.08540	0.5
123.83347	0.3
127.11185	0.3
137.09612	2.2
169.12256	0.8
171.08737	0.5
171.10170	7.5
181.12338	0.6
197.11754	0.4
199.33096	0.3
201.11159	1.4
211.13277	0.4
213.11258	0.4
223.16966	0.6
225.18481	1.5
229.45601	0.4
235.16988	1.3
237.14940	0.4
237.18542	0.5
251.16537	0.3
253.18059	19.6
254.18517	1.8
263.20212	0.5
265.18054	0.8
273.18530	2.8
281.21198	1.2
289.18082	0.8
291.19690	1.9
309.20673	4.0
310.21091	0.5
327.21747	100.0
328.22095	9.0
328.25977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03306	1.8
59.01234	0.9
63.50481	0.7
63.99340	0.7
66.08153	0.7
69.03333	1.4
70.80453	2.0
71.04887	1.0
73.02813	4.9
76.36273	0.8
77.26276	0.6
85.02795	1.6
97.06464	2.3
98.03629	0.8
98.97132	0.8
99.08027	2.3
100.75867	0.8
112.05175	2.4
113.09631	0.9
115.07527	2.8
118.77576	0.8
125.09607	1.7
127.07546	3.0
127.11157	2.0
129.09105	27.8
137.09641	1.0
141.09111	11.9
141.12753	1.0
142.09528	0.8
155.10678	26.7
156.10951	1.0
171.10172	23.7
172.10469	0.9
173.08211	0.9
177.12881	0.8
185.11749	44.4
186.12054	1.4
197.11757	36.3
198.12054	1.5
209.11743	6.5
211.13347	1.0
227.12827	0.9
247.20746	1.6
291.19675	13.3
292.20187	1.0
309.20703	27.0
310.21002	2.4
327.21747	100.0
328.22073	8.5
333.47879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01243	2.5
59.24386	0.8
69.03329	6.1
70.04642	4.1
82.69254	0.8
83.04906	1.1
85.40223	0.7
85.91276	0.8
87.70758	0.8
108.05688	1.4
119.08540	8.7
123.08035	0.9
125.09611	3.7
127.11156	2.5
135.08044	2.9
137.09628	28.2
138.09920	1.4
165.09132	0.9
171.10185	100.0
172.10519	4.3
182.95496	1.0
185.11754	1.5
199.09737	1.0
201.11255	21.5
202.11545	1.1
213.11263	4.0
217.69572	0.8
273.18680	2.1
291.19669	3.1
309.20654	6.7
325.86591	1.0
327.21762	39.5
328.22183	3.8
342.34879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
58.00473	0.7
59.01245	3.0
61.98696	1.6
68.33037	0.4
69.03320	7.0
69.13342	0.4
69.13734	0.4
71.01253	0.8
71.57304	0.6
71.81837	0.5
75.72942	0.4
77.70844	0.4
79.95600	0.6
83.04889	2.0
85.02816	3.2
97.06427	0.7
107.08574	0.8
108.05666	1.1
111.08026	0.6
113.02393	0.4
119.08548	7.8
123.08086	0.7
125.09600	5.9
127.11146	3.3
127.73782	0.5
135.08083	2.5
137.09613	32.4
138.09978	1.0
153.09085	1.1
155.10677	0.8
165.09038	0.9
168.91356	0.6
171.10172	100.0
172.10512	3.6
183.01102	0.7
183.13820	0.9
185.11813	1.2
197.11769	1.6
199.09686	0.7
201.11249	22.5
202.11568	1.1
211.13371	1.6
213.11281	3.9
222.79498	0.5
229.14359	0.8
229.19568	0.5
239.12924	0.6
262.20135	0.4
269.08215	0.6
271.42468	0.5
273.18542	2.1
291.19577	4.9
309.20703	9.5
310.20923	0.7
312.09888	0.8
318.56326	0.5
327.12918	1.2
327.21741	60.6
328.22110	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.2
68.06663	0.8
71.01222	0.8
71.12061	1.6
97.06402	0.8
125.09612	5.2
127.11144	1.8
129.09140	0.9
139.11209	1.2
145.76485	0.8
163.11136	5.4
167.10678	4.6
181.12143	4.2
183.01111	7.1
195.14012	1.0
197.02661	11.3
197.11760	6.6
198.03317	1.9
209.94972	0.9
250.80998	1.0
293.21222	8.1
307.18988	1.7
307.22787	1.3
309.20837	4.1
310.21515	6.0
325.18390	31.3
325.23822	100.0
326.18729	2.6
326.24161	7.2
342.20413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84301	0.5
57.03323	0.5
59.01248	2.0
60.25305	0.4
62.79720	0.4
66.47546	0.4
70.58726	1.8
71.01242	0.5
91.56115	0.4
101.80324	0.4
103.48559	0.4
108.02009	0.5
129.45729	0.5
145.02812	0.6
167.14331	0.7
181.03180	0.5
183.01138	1.2
191.14380	2.6
193.04114	0.5
197.02750	1.3
209.15413	0.7
218.62430	0.5
224.83321	0.5
252.79221	0.5
261.18628	1.1
263.23779	2.8
264.24203	0.5
289.21564	0.6
293.20468	1.0
307.22784	100.0
308.23105	8.9
325.14767	4.2
325.18466	4.0
325.23825	45.7
326.18631	0.7
326.20547	0.5
326.24084	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	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
56.04466	1.3
59.01251	10.7
67.41182	1.7
69.48523	10.1
71.01251	2.4
72.76289	1.3
74.19698	1.2
81.06273	1.2
93.03327	3.3
102.55148	1.3
114.62813	1.2
119.04923	2.8
121.06467	4.7
129.03371	2.9
131.52040	1.6
147.04419	20.0
163.03854	1.5
165.05479	100.0
166.05846	4.7
169.01405	1.8
327.11115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52335	1.1
57.03321	5.9
59.01257	7.2
66.88393	1.0
67.01759	1.2
69.03321	5.1
69.69777	2.7
69.70191	5.7
71.01245	4.8
71.04890	8.1
80.02547	2.6
83.04897	3.9
84.02016	1.4
85.02850	1.8
85.06451	1.5
87.04404	3.1
91.05406	3.0
93.03330	1.8
95.04922	3.8
97.02820	3.8
97.06455	6.6
107.04906	2.7
109.05801	2.3
109.06478	26.6
111.04466	1.3
111.08013	2.8
123.08038	2.1
125.05956	2.8
125.09621	3.9
127.07562	1.4
137.09567	1.6
151.11198	2.2
153.12730	2.3
165.12842	1.4
167.10649	2.9
169.12262	6.7
181.12260	5.4
183.13832	3.7
193.12277	4.0
197.11766	47.6
198.12123	3.0
199.13332	4.9
201.11198	7.0
209.11639	1.5
211.13327	39.3
212.13605	1.4
213.11244	4.6
219.13896	1.5
227.12793	1.7
233.11563	6.7
235.13428	3.5
237.14970	13.6
240.48782	1.3
245.19130	2.0
249.14969	4.0
267.16080	2.0
287.74323	1.4
289.18024	9.6
300.11441	1.5
307.19073	9.9
325.20187	100.0
326.20441	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44151	1.5
57.03324	5.3
58.00462	4.4
59.01254	15.3
67.61108	1.4
68.26028	1.0
69.03320	4.1
70.90886	3.0
71.01254	14.5
71.04907	1.8
72.06631	1.2
72.99192	1.7
73.02820	3.0
74.54665	1.1
75.04464	1.2
80.02545	1.6
81.03334	1.5
83.01295	1.9
83.04887	1.6
84.02042	3.9
85.02805	1.9
93.03329	1.9
95.04899	2.1
97.02820	1.6
97.06471	5.5
99.04420	1.3
102.34363	1.3
105.06993	3.6
106.04118	3.5
109.06492	4.2
111.08042	40.3
113.02287	1.4
113.05966	1.6
115.07537	1.9
119.04903	2.3
121.06487	3.7
123.04434	1.4
123.08059	18.2
125.09608	10.5
127.07577	1.9
127.11194	7.6
133.06441	2.5
135.08067	9.9
137.09601	4.6
139.11211	2.9
140.44658	1.2
149.09671	2.0
151.11183	4.7
153.09137	8.9
153.12753	1.4
155.10707	11.1
163.06198	1.2
163.11192	2.4
165.09077	2.7
165.12775	2.7
167.10727	8.5
169.12299	5.4
171.10182	60.0
172.10585	3.3
181.12309	2.7
183.01218	2.3
183.10201	8.0
185.11765	50.9
186.12051	1.4
191.14383	3.9
195.10225	5.6
197.11772	18.8
199.13403	2.3
201.11255	72.4
202.11617	3.3
207.10194	2.4
209.11772	5.2
213.11240	20.8
214.11491	1.4
215.12839	5.3
219.10362	1.7
225.11295	1.9
227.12836	13.1
229.14418	3.5
245.19003	7.2
279.19775	1.4
289.18097	15.5
307.19226	5.8
325.17184	4.2
325.20227	100.0
326.20651	8.0
342.91980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.4
58.00459	2.8
59.01247	24.8
69.03325	3.2
69.85406	8.0
69.85818	3.5
71.01255	15.1
72.99196	3.7
73.02818	4.0
83.01216	2.0
83.04882	3.5
84.02062	2.9
85.02802	2.8
93.06992	2.5
95.04903	3.6
97.06439	5.0
105.06972	2.9
109.06475	5.0
111.08041	57.1
119.04883	2.2
123.08045	23.2
125.09608	9.7
127.07529	6.0
127.11163	8.7
133.20557	2.2
135.08066	11.3
137.09607	6.6
139.07448	2.0
139.11162	2.2
151.11197	5.9
153.09105	9.1
153.12643	3.1
155.10654	11.8
157.12169	2.7
161.17621	2.4
163.11226	4.2
165.09119	3.8
165.12735	2.3
167.10724	11.6
169.12256	4.7
171.10176	76.5
171.11647	4.6
172.10606	2.1
183.10146	8.9
183.13728	2.3
185.11751	57.6
185.85361	2.1
186.12138	2.8
191.14336	5.0
195.10246	5.7
197.11751	41.2
198.12067	2.2
199.09721	3.5
201.11247	99.6
202.11552	2.3
209.11708	5.0
209.99693	2.8
213.11275	20.2
215.12788	4.5
225.14882	5.2
227.12794	4.5
245.19060	8.3
263.20160	3.5
289.18146	19.3
307.18881	10.1
307.22067	2.8
325.20175	100.0
326.20474	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71142	0.5
53.45769	0.5
57.03315	1.2
58.00455	0.8
59.01252	3.1
65.64280	0.6
69.03316	0.8
71.01252	4.3
71.04877	1.8
71.42243	0.7
80.02528	1.6
81.03326	1.7
83.04897	7.0
84.02034	3.6
85.02822	1.1
86.94172	0.8
91.74058	0.7
95.04887	1.9
97.02827	0.7
97.06461	2.2
98.03636	0.6
99.08023	3.2
109.06477	1.1
111.08025	0.9
112.05211	0.8
115.07512	2.3
121.06464	0.8
123.08050	1.5
125.05901	1.7
125.09623	3.7
127.07553	13.6
127.11147	0.8
135.08031	1.7
137.09579	1.2
139.07571	3.6
141.09023	0.8
141.12709	1.0
149.09543	0.8
153.09097	0.7
155.10666	2.8
157.08534	0.8
163.11179	4.6
165.12796	4.6
171.10182	4.8
178.09915	2.4
181.12274	1.5
183.13902	0.8
185.11768	15.2
186.12134	0.8
191.10667	1.8
191.14253	0.7
193.12260	1.7
195.10185	1.7
196.10529	0.7
197.09969	0.8
197.11772	15.2
201.11218	1.0
207.10196	1.3
209.11772	100.0
210.12080	4.6
211.13316	4.7
225.11340	0.7
227.12816	4.4
233.11595	4.4
235.13492	0.8
236.10419	0.9
237.11301	0.9
238.12067	5.1
239.12817	0.7
239.16313	0.9
245.19098	1.6
249.14909	1.0
256.13132	2.1
265.07629	2.6
265.18091	1.4
279.19754	1.3
281.21326	0.7
289.18112	7.0
307.19150	71.7
308.19339	5.2
314.06519	0.6
325.20227	30.4
326.20535	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.1
58.00463	6.9
59.01247	16.5
69.03336	3.4
70.43993	6.8
70.44344	2.4
71.01244	9.9
73.02794	2.9
83.04866	2.9
84.02036	3.4
95.04887	2.2
97.06547	2.7
105.06973	4.4
109.06480	6.5
111.08039	61.7
115.07496	2.2
123.08065	19.1
125.09599	8.4
127.11220	10.1
135.08037	9.5
137.09619	4.4
139.11176	2.4
149.09595	3.0
151.11159	4.7
153.09132	8.0
155.10625	11.5
157.12231	3.4
165.09131	3.2
167.10703	12.2
169.12268	5.7
171.10167	73.9
183.10164	9.6
185.11749	68.2
186.12042	3.2
191.14384	3.6
195.10205	7.5
197.11766	37.6
198.12056	2.6
199.09633	2.6
199.13335	2.5
201.11261	100.0
202.11574	3.1
209.11707	3.3
213.11266	23.2
215.12883	3.8
225.11177	2.5
227.12833	12.6
245.19081	7.3
289.18173	15.8
307.19162	7.5
325.20197	75.3
326.20560	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
59.01247	2.6
61.41483	1.1
62.47910	1.2
71.01245	7.7
71.04891	1.7
71.12022	1.8
71.12366	1.4
73.02816	2.0
80.02516	1.9
83.04891	5.5
84.02036	4.4
85.02825	1.3
95.04887	2.3
97.06441	2.7
98.91358	1.2
99.04389	2.4
99.08012	6.0
101.60974	1.2
109.06510	1.3
111.08025	1.7
112.05173	2.3
113.21361	1.3
114.15562	1.2
115.07559	3.4
125.09605	9.1
126.95610	1.2
127.07550	17.2
131.27457	1.3
135.08017	3.7
137.09612	1.5
139.07532	4.9
145.18501	1.2
153.09100	21.6
155.10664	4.1
163.11189	5.2
165.12749	2.3
171.10188	19.5
178.09891	4.0
181.49625	1.2
185.11760	19.7
191.10698	1.9
191.14334	1.5
197.11772	18.9
209.11766	80.2
210.12108	3.4
211.13185	1.5
215.07823	1.3
227.12991	1.8
234.41107	1.5
236.10515	1.5
237.61043	1.2
238.12048	6.6
245.19055	3.3
256.13165	4.2
263.20123	2.1
289.18118	14.4
297.20557	2.0
307.19128	100.0
308.19513	7.4
325.20172	40.8
326.20438	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.7
59.01250	11.4
67.01757	2.0
69.03317	6.5
70.05045	4.2
71.01257	5.3
71.04893	10.6
73.02831	2.5
80.02546	3.4
81.03361	1.9
83.04913	7.8
85.02818	2.8
85.06471	5.4
86.48197	1.2
87.04396	3.2
91.05400	1.9
93.03309	1.6
95.04922	1.9
95.94833	1.1
96.88393	1.1
97.02829	7.2
97.06465	9.3
98.19876	1.5
106.04097	1.4
107.04941	2.0
109.06477	43.7
110.06799	1.7
111.08044	1.2
112.57152	1.1
115.07546	3.2
123.08074	1.7
125.05971	5.5
125.09665	1.1
127.07507	3.9
151.11169	3.0
153.12703	1.7
165.12779	1.9
167.10649	2.1
169.12233	9.4
177.12643	1.5
179.10625	1.8
181.12227	6.9
183.13794	5.4
191.14479	1.1
193.12268	4.7
195.13919	1.8
197.11772	79.4
198.12068	5.4
199.13388	6.9
206.81984	1.3
209.11649	2.2
211.13336	62.9
212.13683	1.7
219.13852	2.1
223.13255	1.3
225.14551	1.4
227.12857	4.6
231.13797	1.8
233.11566	18.5
235.13333	6.3
237.14955	9.9
249.14972	3.9
266.34448	1.1
289.18076	6.0
307.19156	5.2
318.46393	1.2
325.20197	100.0
326.20541	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
51.76308	1.2
54.10891	1.2
56.17944	1.1
59.01245	7.0
63.96119	5.4
70.87290	1.2
70.89771	1.8
70.90115	3.0
71.01241	1.6
71.04888	1.4
72.30590	1.2
78.72361	1.2
89.91760	1.2
101.02306	1.6
106.41642	1.2
121.02873	5.5
122.03674	4.8
135.04439	1.5
136.05212	2.1
167.14304	6.3
168.04295	1.4
177.09460	3.5
193.15979	3.9
207.17552	4.6
231.17465	1.4
233.15480	2.0
249.18558	35.6
275.16507	25.2
281.21234	9.0
293.17590	100.0
294.17865	6.5
307.19171	5.4
307.22879	3.1
325.07217	2.5
325.20251	74.6
325.23526	3.0
326.20663	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28973	0.5
50.35521	0.6
52.15821	0.5
59.01241	5.8
65.25703	0.5
71.01251	3.4
71.33011	0.6
75.33834	0.5
84.47630	0.5
85.02848	1.4
89.02328	1.6
96.95899	1.4
101.02320	1.6
113.02330	0.7
117.03347	23.7
118.03743	0.7
119.04906	4.4
134.03629	0.7
135.04446	1.8
145.02852	100.0
146.03204	3.7
161.05997	0.8
163.03914	31.0
164.04245	1.1
182.25085	0.6
187.03918	3.4
205.05025	1.4
238.73804	0.6
265.07129	1.1
325.09253	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75267	0.4
53.49671	0.4
58.11419	0.5
59.01249	4.7
63.00301	0.4
71.01253	2.8
85.02814	0.9
89.02334	1.6
93.03316	0.7
96.95888	1.9
101.02322	1.4
102.05480	0.5
113.02329	1.3
117.03343	16.1
118.03725	0.7
119.04912	67.1
120.05264	2.6
128.03383	2.1
133.06575	0.5
135.04433	0.8
145.02852	100.0
146.03192	4.1
146.04472	1.9
159.04445	0.7
161.02229	0.5
161.06013	1.2
163.03918	58.6
164.04279	2.4
187.03893	4.0
205.05058	1.7
229.20300	0.8
265.07220	1.8
268.39618	0.4
325.09341	5.1
326.08890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
58.00459	0.4
59.01251	6.8
65.10863	0.3
69.37247	2.5
71.01252	3.3
71.51154	0.3
85.02821	0.7
89.02318	1.9
90.98238	0.2
95.01290	0.3
96.79048	0.2
98.19864	0.6
99.42606	0.2
100.61327	0.3
101.02320	1.1
101.47651	0.3
113.02331	0.9
117.03349	27.8
118.03689	0.8
119.03503	0.3
119.04918	4.5
131.04955	0.3
133.06497	0.6
145.02855	100.0
146.03207	3.9
159.04405	0.4
161.05977	1.3
163.03920	7.4
182.82434	0.3
187.03922	3.1
205.04936	1.4
265.07129	1.1
325.09225	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	324.145
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
59.01230	6.7
64.01803	1.8
70.02853	2.4
71.01250	34.3
71.56240	2.9
72.04405	4.9
74.50260	2.1
88.03909	100.0
93.06973	3.8
96.99171	2.1
99.38754	1.7
107.99225	2.0
108.04437	2.9
114.01880	3.8
115.00259	46.1
119.51814	1.7
121.24539	1.7
128.44028	1.9
132.02919	10.5
135.11693	3.4
147.11678	18.9
147.92374	2.2
162.02203	6.7
165.12758	6.9
178.12251	2.7
179.01591	4.5
180.02345	2.0
190.12320	24.3
195.04823	14.1
208.13368	11.3
209.11774	22.0
250.14439	2.3
262.14459	2.2
280.15567	19.0
281.15979	3.2
306.13437	5.5
324.14514	83.4
325.15054	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20623	0.6
57.03313	2.7
59.01253	9.1
59.53729	0.7
65.32346	0.8
70.32974	3.0
71.01252	1.5
71.04872	0.8
76.28679	0.7
89.02328	1.3
93.06942	0.8
97.06503	0.7
109.06470	4.6
111.08068	1.0
121.02853	1.6
123.08070	0.8
125.09634	2.8
137.05934	0.9
137.09451	0.8
139.11237	0.8
150.38933	0.8
151.11226	1.8
153.12759	9.3
161.04518	0.7
161.39514	1.0
163.11122	0.9
165.01849	0.9
169.12190	1.2
179.10689	1.1
179.14359	3.8
181.12273	23.4
182.12602	1.4
197.11732	4.2
207.13847	15.0
215.12903	0.8
239.12889	2.3
247.20663	3.9
255.15778	1.0
263.20126	3.1
273.18655	3.2
291.19656	69.5
292.19916	4.5
295.22653	1.3
305.21207	7.2
307.19141	1.0
308.19955	5.1
323.22260	100.0
324.22577	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	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78272	0.7
59.01241	1.6
62.76853	0.8
69.85300	0.7
71.00175	1.9
71.00546	0.9
76.69219	0.8
79.58967	0.8
83.55602	0.8
92.81860	0.7
97.02853	0.9
97.06432	1.0
102.43828	0.8
117.05761	0.7
120.73504	0.8
123.04420	1.2
123.08018	1.8
125.09588	4.9
127.07541	1.0
163.11186	4.2
165.09123	3.2
165.12752	1.1
165.46162	0.7
170.15880	0.7
177.12723	1.1
181.12276	2.9
183.83818	0.8
197.11781	4.9
207.10181	1.1
221.11752	4.2
239.12892	3.8
247.20680	1.5
252.70824	0.8
261.22305	1.0
273.18649	1.0
291.19659	11.4
292.19943	0.9
305.21198	28.4
306.21536	2.2
307.19083	1.3
308.19995	6.9
323.22260	100.0
324.22632	8.8
340.18979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12306	0.7
59.01139	8.3
59.01477	2.3
63.69542	0.7
69.45592	5.7
71.01132	2.0
71.01493	0.8
84.68765	0.8
85.02719	1.4
89.02196	1.4
96.95805	0.8
98.19771	0.8
98.69489	0.6
101.02206	1.0
113.02193	1.9
123.04314	1.1
144.99969	0.7
161.04356	0.9
163.11015	0.8
165.09001	1.5
165.12610	1.7
167.10497	0.9
185.82770	0.8
191.14157	1.6
205.19751	0.7
217.15849	0.8
261.22177	3.3
282.41913	0.9
287.20291	1.1
291.19653	1.0
299.99139	0.9
305.21198	100.0
306.21539	7.8
316.19177	0.7
322.97940	0.9
323.09891	1.0
323.16769	6.2
323.22293	22.4
324.22571	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65577	0.6
57.03328	1.0
57.69691	0.6
59.01250	12.7
69.03302	0.7
70.90322	1.4
70.90695	1.5
71.01245	2.5
78.95262	0.6
85.06448	1.7
89.02316	1.1
96.95892	1.0
101.02309	1.1
107.04916	0.8
111.08034	0.9
113.02372	1.4
123.15015	0.6
124.98229	0.6
125.09581	1.8
135.08119	0.6
143.39711	0.6
151.11174	0.9
161.04414	1.1
163.11116	1.2
165.12796	4.1
191.14247	0.8
193.12329	1.2
193.15916	1.8
197.11812	2.2
217.15881	1.0
220.14606	0.8
223.04282	0.8
237.14946	10.0
239.12910	0.8
247.20563	1.7
265.14932	0.6
273.18607	1.9
278.96478	0.6
291.19656	54.3
292.19858	3.8
299.98938	0.7
305.21295	2.9
308.20010	3.9
309.20398	1.1
323.16833	3.4
323.22263	100.0
324.16977	0.9
324.22644	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21555	1.1
56.56358	1.0
57.03321	1.5
59.01249	18.8
70.79268	3.7
71.01263	3.6
71.04887	1.4
80.02537	2.5
81.03325	2.3
82.24064	1.1
83.04887	8.8
84.02036	1.3
85.02830	2.3
89.02313	1.6
95.04900	2.5
97.02842	1.7
97.06480	3.8
101.02319	2.2
107.04900	14.0
108.60786	1.2
109.06490	3.8
111.04379	1.6
113.02344	2.8
113.05959	1.4
121.02831	3.3
123.00830	1.6
123.04420	1.6
123.08019	1.9
125.02338	3.0
125.05974	3.4
125.09593	9.4
133.06552	1.9
135.04440	1.6
135.08066	5.3
137.05977	2.5
147.04488	1.3
151.07552	5.1
153.09135	15.5
160.35899	1.2
161.04486	1.3
163.11192	8.8
165.01833	1.2
165.09068	2.6
165.12799	4.9
171.10110	5.5
176.08377	2.5
178.09909	2.8
185.11739	2.7
191.10764	2.4
197.11755	14.3
207.10185	10.5
209.11765	100.0
210.12149	5.5
211.13312	4.2
225.11298	8.6
235.16974	2.1
236.10551	2.8
243.17493	3.9
250.04385	1.3
253.10747	1.4
254.11493	1.2
261.15216	1.1
261.18625	5.8
261.22119	5.4
263.16446	1.6
277.18198	2.0
279.15936	5.3
279.19666	4.2
287.16531	11.4
299.99088	2.3
305.17572	87.1
305.21243	80.5
306.17944	7.5
306.21588	7.3
323.09775	1.9
323.18588	12.1
323.22299	20.4
329.81140	1.3
343.08246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87544	4.7
51.47344	4.2
51.86522	3.7
57.03319	9.1
59.01249	91.9
61.92582	4.3
68.98363	4.4
69.29905	9.6
69.30309	39.1
71.01242	19.5
71.04885	16.8
79.95541	4.1
81.03320	11.1
83.01270	19.3
83.04881	10.6
85.02811	7.4
87.27128	4.5
89.02321	10.9
93.03322	5.0
95.04907	46.7
97.02827	7.3
97.06453	17.7
99.00774	5.4
99.04392	9.6
101.02314	8.2
109.06491	8.3
113.02325	13.5
113.05956	6.9
121.02805	14.7
123.04380	12.2
123.08011	8.5
125.06000	8.4
125.09624	41.5
127.81167	5.3
135.08044	22.5
149.09636	6.1
161.04463	11.4
163.11139	11.1
164.62894	4.3
165.01892	5.6
171.10156	7.0
185.11742	32.0
191.10693	9.7
201.54401	4.3
203.14368	13.0
207.10138	7.0
209.11751	100.0
210.12012	4.7
211.13269	7.9
221.11736	5.1
223.13376	5.9
237.14819	7.5
243.17464	8.4
247.13406	5.6
249.14883	5.6
265.14407	41.4
287.16364	10.2
299.99075	7.7
305.17581	35.6
322.97952	7.0
323.09885	7.4
323.18646	80.2
323.22189	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	4.8
59.01249	100.0
60.01586	1.3
71.01250	47.5
71.48042	2.5
72.99158	3.4
73.02808	1.4
83.01264	2.3
84.02065	1.6
85.02819	10.2
87.00765	2.4
89.02312	38.1
95.01260	2.9
101.02318	24.9
113.02335	15.5
119.03383	16.2
157.90601	1.4
161.04448	1.7
179.05656	1.7
188.61401	1.5
239.01141	1.3
323.13480	38.2
324.13889	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	323.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02232	0.3
54.03122	0.3
54.09118	0.3
55.58461	0.3
56.97900	1.1
57.03316	2.6
58.79063	0.4
58.99469	2.3
59.01250	7.7
60.97380	0.3
69.03309	1.1
70.04951	0.7
70.05366	0.9
71.01243	0.9
71.04881	0.5
72.00255	0.6
72.97397	2.9
73.01040	3.3
73.98177	0.4
79.05397	2.3
80.02517	0.7
80.39070	0.3
81.03323	0.7
82.99483	0.5
83.04885	1.5
85.01027	0.5
85.02817	0.5
86.98966	1.3
87.99745	0.3
89.00524	0.3
91.68101	0.3
93.03320	1.1
95.04907	1.6
95.81721	0.2
96.00259	1.1
97.01050	0.7
97.06447	0.9
98.01829	3.3
98.19880	0.4
99.02596	0.5
101.02312	0.4
101.04153	0.4
106.04135	0.8
107.04898	1.0
107.08527	0.6
109.01035	1.2
109.06468	3.1
110.98996	2.1
111.02628	5.3
111.08028	3.0
113.00557	0.5
113.04187	38.0
114.04491	0.9
115.05732	1.0
115.07530	0.4
119.04891	1.0
120.05669	1.3
121.02808	0.3
121.06441	0.6
121.10143	0.4
123.08043	2.5
123.99798	2.2
125.00568	5.1
125.06072	0.3
125.09602	2.0
126.01360	1.6
127.07493	0.7
127.11199	0.4
131.04942	0.3
133.06480	0.3
135.08058	1.0
135.11725	0.3
137.00533	0.7
137.09598	1.2
138.01389	0.4
139.02136	2.0
140.02911	7.3
141.03334	0.5
142.04475	1.0
144.06012	0.4
145.06430	0.4
147.08066	0.3
147.75853	0.3
148.08797	0.5
149.09584	1.4
150.10349	0.9
150.83136	0.3
151.02142	1.9
151.11182	1.8
153.03711	0.6
153.09117	1.2
159.08163	0.8
161.09584	0.9
163.11180	8.5
164.11513	0.3
165.03716	0.6
165.12756	17.4
166.13055	1.0
167.10716	0.5
167.14302	0.4
173.09595	0.7
174.10402	0.4
175.11200	0.7
177.12740	1.2
179.10687	1.0
181.12234	1.5
182.07616	1.2
183.08383	0.4
183.13835	0.9
189.12717	0.8
191.14331	24.7
192.14659	1.9
195.13759	0.6
201.09412	1.0
205.12117	0.4
209.11729	1.5
209.62103	0.3
210.10606	0.3
211.11478	0.4
211.13330	4.6
213.09531	0.7
215.11079	3.3
215.14319	0.8
217.15947	2.2
220.11089	0.4
221.11780	3.6
222.12170	0.4
225.14844	1.5
227.12833	0.9
227.17934	0.8
229.15965	0.3
243.17410	0.5
245.19055	19.0
246.19452	2.0
249.14853	1.8
254.09726	4.2
256.11328	0.7
261.16516	0.5
269.08533	0.6
271.16998	5.0
272.17337	0.4
273.14960	0.8
279.17905	1.9
287.16495	1.3
289.18076	77.6
290.18387	8.3
305.15726	5.8
306.16071	0.5
323.16830	100.0
324.17163	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.3
58.00455	2.4
59.01248	76.9
60.01564	0.8
71.01252	40.7
71.33217	1.6
72.99172	3.2
83.01247	2.0
85.02818	6.3
87.00732	1.7
89.02314	53.1
95.01244	3.0
97.46811	0.8
101.02317	34.3
101.39755	0.8
110.52934	0.8
113.02330	19.5
119.03394	24.4
120.03751	0.9
131.03378	1.6
143.03371	2.9
149.04445	1.9
161.04445	2.0
161.08073	2.6
179.05489	3.6
183.49216	0.8
228.62703	0.7
244.67546	0.8
293.56384	0.8
323.13446	100.0
324.13708	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	322.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75821	1.0
59.01236	4.2
62.13664	1.0
71.55512	1.3
82.02862	1.5
85.02814	1.5
89.02274	1.1
89.03821	1.8
89.80206	1.1
95.76147	1.3
101.02375	1.1
102.05480	13.5
109.42262	1.1
117.03321	4.3
123.04377	1.3
128.03436	30.3
134.03629	100.0
135.03947	3.5
138.68077	1.2
146.04492	46.0
148.05215	1.1
149.05980	43.3
150.06335	1.7
160.01549	9.9
161.02301	2.1
162.03023	1.6
172.02414	2.0
175.03926	18.3
177.05519	2.1
192.06534	1.7
193.04979	24.7
194.02016	1.2
217.01323	1.4
232.09761	7.6
234.11421	1.9
278.10281	5.1
304.08310	14.9
322.09305	36.9
323.09579	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	323.1248
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.71131	1.1
58.00450	3.0
59.01249	37.0
59.76880	1.1
59.90807	1.1
71.01248	10.2
71.55807	1.5
72.99186	3.7
85.02827	1.5
89.02320	8.6
96.95876	1.6
101.02323	10.3
106.70013	1.0
119.03362	1.5
145.07639	2.4
160.06313	9.4
161.07112	47.9
162.07433	3.2
169.01288	1.7
175.08679	36.7
176.09003	1.5
189.06621	100.0
190.06818	3.4
203.08194	48.9
204.08466	2.5
296.09906	1.2
305.11411	1.7
323.12488	33.2
324.12766	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	321.2069
Annotation	Rapanone
Peak:m/z	Relative Intensity
57.44246	0.3
59.01250	100.0
60.01584	0.6
70.03053	1.5
74.76002	0.4
98.19769	0.4
103.03895	0.7
129.55353	0.3
141.75488	0.3
151.26619	0.3
155.91286	0.3
206.66533	0.4
219.17603	0.4
223.07187	0.3
265.38516	0.4
266.92572	0.6
277.18060	0.7
321.20685	50.8
322.21017	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	321.2433
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
54.29866	1.9
59.01250	4.4
71.55689	2.0
74.44001	1.8
78.95775	7.1
93.03344	1.8
118.40207	1.9
160.89835	2.2
207.13986	2.1
223.16945	11.2
233.15416	2.3
240.39903	2.0
251.16516	14.5
256.16739	4.8
284.16336	3.3
303.23364	9.3
321.24362	100.0
322.24762	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	321.025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23700	2.5
71.56061	3.1
95.01269	4.0
105.03330	4.0
106.28618	3.0
117.03363	7.1
121.02839	4.5
133.02855	10.0
145.02838	13.5
150.03130	5.9
161.02353	29.7
162.03123	4.6
163.03897	11.7
173.02394	8.2
177.01811	16.2
189.01857	30.6
190.02583	15.2
191.03458	3.4
193.01286	4.4
203.03381	5.5
205.01274	7.6
206.02092	5.4
210.17551	3.1
217.01405	51.5
218.01968	4.9
219.02817	6.5
233.00854	5.1
233.04518	51.5
234.01649	5.3
245.00877	22.2
247.02477	6.6
249.04013	35.3
250.04263	3.1
259.99615	19.5
261.00366	18.0
262.00977	4.1
277.00522	6.0
277.03522	76.8
278.03806	5.6
288.99936	5.0
303.01459	6.4
321.02490	100.0
322.02792	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	321.025
Annotation	Digallate
Peak:m/z	Relative Intensity
63.82962	0.9
69.39323	6.3
69.39741	3.2
83.75954	0.9
117.03376	1.7
119.01340	1.3
121.02811	1.4
122.03625	1.3
123.00757	2.7
133.02814	3.3
138.03105	1.3
145.02852	3.9
146.03572	1.6
149.02354	1.5
150.03137	5.2
160.01579	1.2
161.02345	16.3
162.03058	1.8
163.03871	1.8
164.01102	2.2
166.02617	1.4
166.99760	1.2
173.02356	1.1
174.03145	2.3
176.01067	3.6
177.01848	15.7
177.05423	1.2
189.01857	10.8
190.02612	7.2
191.03294	1.6
193.01382	3.7
203.03404	3.3
205.01401	4.0
205.04955	2.2
208.00175	1.2
215.78082	1.3
217.01352	16.8
219.03015	1.2
221.04463	2.7
231.03056	1.8
233.00752	3.1
233.04509	83.1
234.01704	2.5
234.04770	3.7
245.00854	11.5
249.04021	35.8
250.04453	2.7
259.99591	3.8
261.00397	7.4
262.01056	1.5
277.03546	23.0
278.04025	1.6
282.71371	1.0
288.99933	1.8
293.02994	1.3
303.01578	1.5
321.02496	100.0
322.02908	4.1
322.09137	1.2
341.79092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0094
Annotation	Luteic acid
Peak:m/z	Relative Intensity
54.78971	1.4
62.04936	1.4
91.01736	1.9
96.95869	3.4
103.01762	2.0
122.52756	1.8
122.97465	2.1
131.01242	3.0
131.19652	1.4
138.59058	1.3
147.00786	2.7
151.07506	6.3
159.00781	5.4
163.00282	18.3
174.20799	1.4
175.00302	9.9
187.00314	8.9
188.01093	1.6
190.99779	3.2
202.99814	10.1
214.99721	2.8
216.00653	1.9
230.99377	8.4
257.98151	1.9
258.98816	73.3
259.99203	4.2
261.00320	1.7
286.98337	100.0
287.98682	5.5
319.00858	11.1
319.08557	3.1
320.01563	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	316.9938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27802	0.3
65.00188	0.9
69.86041	1.9
76.74434	0.3
82.88682	0.3
89.03837	1.0
91.34109	0.4
98.19761	0.4
101.03848	0.7
105.03324	0.7
117.03339	5.2
119.01239	0.5
121.02826	0.7
123.04384	0.5
129.03333	1.1
131.01233	0.8
132.02159	0.4
133.02875	4.3
143.01286	0.9
145.02853	12.7
147.00775	1.3
147.04422	1.0
149.02338	1.0
151.00264	0.8
155.01295	0.5
157.02846	1.1
159.00800	2.4
160.01561	0.5
161.02356	9.8
162.36174	0.4
163.03917	2.8
171.00786	2.4
173.02345	10.1
175.00246	1.0
176.01080	0.4
177.01816	0.9
179.03383	0.7
185.02255	0.3
187.00284	6.8
188.00870	0.8
189.01868	13.1
190.02293	0.7
199.00339	2.6
200.01027	1.8
201.01880	4.8
202.99730	0.6
204.00435	0.5
205.01419	1.6
208.28761	0.4
214.99776	6.0
216.00519	1.4
217.01375	11.4
218.01709	0.9
226.99725	0.8
228.00592	2.5
229.01424	2.3
229.03297	0.4
232.00117	0.5
233.00620	1.1
242.99306	23.6
243.99792	2.0
245.00877	42.5
246.01212	2.4
259.99600	0.4
261.00418	1.6
270.98831	46.3
271.99207	2.6
273.00388	72.6
274.00833	4.5
288.99579	1.0
298.98306	58.9
299.98962	10.6
315.98682	2.5
316.01822	0.5
316.99356	100.0
317.99713	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	316.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.9
63.94333	100.0
63.96107	7.6
71.06059	2.5
71.06363	1.7
72.08811	1.4
73.40196	1.3
74.09770	1.3
79.93831	2.1
79.95605	82.3
99.54805	1.5
111.92854	8.3
117.91599	1.7
128.74434	1.5
143.90053	82.2
144.90013	1.9
204.08836	8.8
236.06017	92.7
237.06354	4.2
249.15666	1.7
316.01752	17.2
316.99228	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	315.2541
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
58.83771	0.6
59.01240	4.0
60.44625	0.5
68.59290	0.6
71.36815	0.8
74.02332	1.8
75.00728	1.3
76.59719	0.6
83.54192	0.5
85.69585	0.6
125.09592	0.6
127.11173	2.3
141.12769	4.2
143.10680	2.1
153.05563	0.6
155.10663	1.2
171.10213	4.2
171.13815	0.9
190.98622	0.8
201.11253	1.6
217.00287	0.5
232.97496	1.2
232.99637	0.9
251.70912	0.6
256.19205	0.7
277.21512	0.6
279.23184	2.2
297.24350	6.6
313.23846	9.5
314.24149	1.0
314.97754	1.4
315.25378	100.0
316.25735	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.76110	0.7
53.27097	0.7
59.01247	2.6
69.03304	0.8
70.58575	0.9
71.01236	3.0
71.20024	0.6
71.55791	0.6
71.56211	1.4
73.02814	1.5
81.03320	1.9
81.19961	0.7
83.01276	0.9
85.02824	2.4
89.02306	0.9
93.03328	0.8
95.01265	2.4
96.43345	0.7
97.42226	0.6
99.00748	1.0
101.02307	1.4
105.01727	0.7
108.02049	98.5
109.02847	38.7
110.03152	1.1
110.11880	0.8
113.02321	1.7
117.05468	1.0
119.79040	0.6
121.02880	1.6
122.97450	0.8
123.00766	2.5
123.04399	1.0
125.02312	2.6
135.04349	1.1
137.02332	0.9
151.00229	1.6
151.03918	2.2
151.94679	0.7
152.01051	73.2
153.01837	48.4
153.05492	0.7
154.02148	1.1
163.03893	1.8
165.01797	2.0
169.01363	3.6
194.99356	3.1
195.02898	1.8
197.00922	3.6
199.02359	1.2
211.02290	1.0
225.00308	1.4
225.04088	1.0
244.94008	0.7
315.07205	100.0
316.07547	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	315.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.8
61.01696	0.9
66.66509	0.9
71.01250	2.7
80.57423	0.9
83.01276	1.2
85.02818	2.2
89.02301	1.0
93.03318	1.4
95.01265	1.6
99.00719	1.4
101.02317	1.7
108.02053	100.0
109.02843	27.9
123.00770	2.5
125.02334	2.9
147.38023	1.0
151.00285	1.4
151.03862	2.0
152.01062	59.8
153.01843	40.0
163.03946	1.9
165.01866	2.6
169.01353	3.5
194.99208	1.8
195.02910	2.0
197.00845	2.4
199.02484	1.2
217.72887	1.1
281.16141	1.0
315.07202	92.6
316.07571	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
60.48027	0.9
69.83807	1.9
69.84216	3.4
69.93105	1.0
71.01243	2.6
73.02797	1.4
73.74737	0.9
75.20333	1.0
85.02822	2.8
95.01262	1.9
101.02316	1.6
108.02049	72.1
109.02860	19.1
117.05484	2.8
121.02853	1.6
123.00739	1.9
125.02349	2.5
151.03923	2.4
152.01056	65.4
153.01842	33.1
154.02161	1.3
165.01874	2.1
166.58485	1.0
177.01852	1.8
241.16754	1.0
305.05695	1.1
315.07202	100.0
316.07367	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
59.01247	0.5
59.78255	0.3
65.00201	0.4
66.48446	0.3
69.28086	0.2
69.30979	2.3
98.19736	0.6
107.01267	1.0
108.02055	2.1
108.53512	0.3
116.66953	0.3
120.02060	0.4
124.01513	0.5
135.00761	0.9
140.61481	0.3
148.01550	2.7
151.00302	1.5
152.00954	0.3
156.60207	0.3
163.00238	0.8
164.01033	1.2
183.04422	0.4
192.00575	0.5
198.03256	0.4
199.03902	0.8
201.01880	0.3
211.03966	0.6
215.03474	1.1
216.04204	0.7
226.02655	1.2
227.03456	3.2
229.01366	0.4
243.02950	12.3
244.03456	0.7
254.02144	2.0
255.02953	28.2
256.03400	1.6
271.02460	61.0
272.02933	4.7
299.01926	1.5
300.02719	100.0
301.03088	6.9
315.05087	40.3
316.05341	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	315.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02278	0.2
65.00208	0.4
69.45094	0.9
83.01269	0.2
91.01774	0.1
94.18605	0.1
98.77300	0.1
107.01279	1.0
108.02043	2.3
108.02711	0.2
117.41850	0.1
118.36169	0.1
120.02089	0.2
123.00788	0.1
123.93970	0.1
124.01563	0.4
130.67183	0.1
135.00769	1.0
144.92484	0.1
147.00806	0.4
148.01561	3.0
151.00252	1.3
152.01071	0.2
153.01878	0.2
157.02812	0.1
157.82123	0.1
163.00290	0.8
164.01064	1.1
165.01833	0.1
171.04427	0.1
174.03255	0.1
175.03928	0.1
183.04410	0.3
187.03969	0.4
192.00587	0.4
198.03172	0.2
199.03946	1.0
201.01898	0.4
202.02765	0.1
203.03465	0.4
211.03862	0.6
213.01855	0.2
215.03442	1.0
216.04239	0.5
224.83179	0.1
226.02710	1.3
227.03450	3.5
228.03963	0.2
229.01404	0.3
242.02226	0.2
243.02960	12.6
244.03539	0.7
254.02205	2.0
255.02968	26.3
256.03336	1.8
271.02475	60.2
272.02908	4.7
273.03610	0.2
287.01883	0.1
299.02048	1.5
300.02737	100.0
301.03082	6.6
315.05099	43.4
316.01736	0.2
316.05423	2.8
327.89508	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	315.0147
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
53.04288	0.4
53.67969	0.5
63.02271	4.1
65.00180	2.0
83.01241	0.7
89.00198	0.6
95.01215	0.8
101.16989	0.5
107.01273	3.0
115.05390	1.4
117.03318	1.2
119.04955	0.6
123.00752	0.8
124.01574	1.2
125.02343	5.2
131.04893	2.1
133.02824	1.0
135.00754	2.2
141.03322	0.8
143.04922	3.0
145.02809	1.9
147.04407	0.9
149.02342	3.5
150.55801	0.6
151.00293	3.7
159.04422	4.9
161.02335	1.6
163.00252	1.6
164.01038	1.1
165.01894	0.7
165.10455	0.5
169.01373	1.2
169.02861	1.5
170.03749	0.5
171.04420	2.8
173.02309	1.9
175.03908	2.2
177.01718	1.0
178.99773	1.0
185.02304	1.0
187.03894	6.2
189.01823	0.9
191.03400	1.6
197.02382	1.9
198.03108	0.9
199.03963	0.9
201.01830	1.2
203.03470	7.2
204.03992	0.6
213.01886	6.2
214.02600	2.9
215.03461	8.3
217.01268	1.4
219.02925	0.9
227.03493	0.5
229.01413	0.6
231.02916	4.5
241.01326	2.9
242.02193	3.6
243.02986	7.4
258.01514	1.0
259.02444	14.3
269.00842	1.1
270.01740	1.6
271.02493	11.7
287.01965	67.5
288.02316	4.0
297.00644	0.6
298.01154	0.8
315.01465	100.0
316.02109	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0145
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
63.02266	3.6
64.07796	0.3
65.00188	3.7
69.39943	2.2
69.77515	0.3
71.01285	0.4
83.01246	2.1
85.92340	0.3
89.00228	0.6
89.03897	0.4
91.01823	1.2
93.03336	2.0
95.01318	0.9
98.19704	0.6
101.03905	0.4
103.01878	0.3
103.05463	0.3
107.01270	5.4
107.04934	0.4
108.02167	0.3
109.02852	0.7
115.05480	1.2
117.03324	1.6
119.01330	0.6
119.04968	0.9
120.23273	0.3
121.02901	1.3
123.00011	0.3
123.00829	1.1
124.01546	3.0
125.02332	6.6
125.03196	0.4
131.01321	1.0
131.04926	2.2
133.02844	2.4
135.00783	3.1
135.04474	0.4
136.01593	0.4
136.98810	0.3
137.02402	0.7
139.00340	0.6
140.01126	0.4
141.01935	0.4
141.03387	0.7
143.04913	5.0
145.02843	2.4
147.00810	0.8
147.04440	1.7
147.06442	0.3
148.01620	0.5
149.02359	3.3
151.00273	7.2
152.01041	0.9
153.01918	0.4
155.04958	0.5
157.02913	1.1
157.06581	0.5
158.03673	0.8
159.00777	2.1
159.04431	6.8
161.02348	2.6
161.06047	0.9
163.00270	3.3
163.03876	1.4
164.01060	2.7
165.01891	0.6
169.01389	1.7
169.02914	2.2
170.03656	0.7
171.04417	4.9
173.02359	3.1
174.03139	0.6
175.00331	0.9
175.03922	4.1
176.01062	0.3
177.01831	1.1
178.99779	1.9
183.04564	0.3
185.02403	1.9
186.03168	1.0
187.00317	2.2
187.03931	8.2
188.01047	0.3
188.04349	0.4
189.01842	2.2
190.02597	0.3
190.99838	0.4
191.03416	2.5
197.02385	1.9
198.03134	0.6
199.03929	3.4
200.01050	0.4
201.01888	2.5
202.02400	0.4
202.99841	0.8
203.03426	13.3
204.04018	0.9
209.00621	0.3
213.01854	7.1
213.03772	0.5
214.02643	6.6
214.99997	3.0
215.03415	10.7
216.00557	0.3
216.03868	0.4
217.01337	2.9
219.02986	0.9
225.01740	0.4
226.02638	0.4
227.03551	1.4
227.07178	0.5
229.01395	0.9
230.02213	0.7
230.99333	4.5
231.02937	7.5
232.03563	0.6
241.01384	4.0
242.02136	6.5
242.99223	1.1
243.02945	12.1
243.99802	0.3
244.03287	0.5
245.00963	0.7
258.01736	1.4
259.02448	23.8
260.02954	0.7
269.00879	1.2
270.01669	4.2
271.02472	33.2
271.05887	2.3
272.02716	0.6
279.03305	0.5
279.53662	0.3
286.01056	0.3
286.98505	7.1
287.01932	94.9
288.02283	5.5
297.00418	0.8
298.01059	0.8
299.02017	0.3
314.97842	11.5
315.01398	100.0
316.02155	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	315.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24676	0.7
59.01243	1.1
63.02244	4.2
65.00189	6.4
71.01239	1.0
71.55788	1.5
77.89426	0.9
80.45100	0.8
83.01257	3.6
91.01743	1.5
95.01276	1.1
97.41167	0.9
101.28434	0.9
107.01273	8.4
109.02847	1.8
111.00777	1.2
115.05399	2.0
117.03355	0.9
119.01288	1.3
119.04912	2.9
121.02838	1.5
121.25456	0.8
123.00754	2.0
124.01543	1.7
125.02348	7.3
131.01262	1.4
131.04880	2.4
133.02867	1.1
135.00766	2.7
137.02325	0.9
139.00287	1.9
143.04968	6.3
145.02852	3.1
147.04395	3.0
149.02390	4.7
151.00273	21.1
152.00984	1.9
155.04861	1.0
157.02817	1.4
159.00790	2.4
159.04414	7.9
161.02351	2.7
163.00217	4.9
163.03920	2.2
164.01050	3.0
169.01347	2.3
169.02782	1.5
171.04460	5.0
173.02332	2.7
175.03918	3.4
177.01865	1.7
178.99791	7.2
185.02335	1.6
187.00270	1.0
187.03920	10.6
189.01894	2.4
191.03384	2.1
197.02335	1.4
199.03903	4.6
201.01848	3.5
202.99713	1.1
203.03435	20.8
204.03749	1.1
213.01851	4.1
214.02686	4.3
214.99937	1.1
215.03432	13.7
215.14027	1.3
217.01357	3.1
219.03046	1.4
227.03459	2.0
228.07434	0.9
229.01466	1.0
230.99341	3.2
231.02927	11.0
232.03384	1.2
239.14145	0.9
241.01328	3.4
242.02151	3.7
242.99309	1.0
243.02945	15.3
245.00987	0.8
259.02457	26.3
259.05209	1.2
260.02731	1.1
270.01688	2.7
271.02496	29.4
271.05453	1.8
286.98624	3.2
287.01965	69.3
288.02435	4.0
297.00671	1.5
300.02625	5.7
314.97937	6.6
315.01459	100.0
315.04984	8.8
316.02151	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0144
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
51.14593	0.4
59.01234	0.5
63.02275	4.0
65.00169	2.8
71.56301	0.6
79.95602	0.5
82.25854	0.4
82.80685	0.5
83.01251	1.2
89.00217	0.9
95.01247	0.7
103.05424	0.5
107.01269	4.7
108.01977	0.5
109.02795	0.6
115.05384	1.4
117.03377	1.0
119.04902	1.1
124.01553	3.1
125.02346	5.3
130.04134	0.6
131.04922	2.4
133.02827	0.9
135.00743	2.2
135.04349	0.8
137.02327	0.7
141.03421	0.7
143.04909	3.7
145.02863	2.6
147.04407	1.7
149.02344	3.3
151.00262	6.8
155.04843	0.6
157.02869	0.6
159.04430	6.7
161.02332	1.8
161.05951	0.8
163.00293	3.1
163.03894	2.0
164.01042	2.0
169.01439	0.8
169.02844	1.6
171.04445	4.6
173.02345	3.2
174.03145	0.7
175.03947	4.1
177.01894	0.7
178.99724	1.2
185.02370	1.2
187.03923	8.3
189.01813	1.9
191.03386	2.3
192.00568	0.6
197.02361	1.6
199.03891	2.1
200.00966	0.6
201.01859	1.7
203.03416	13.8
204.03893	0.7
213.01868	6.7
214.02638	5.9
214.99934	0.7
215.03439	10.2
216.03915	0.5
217.01402	2.4
219.02898	1.0
227.03470	1.5
229.01318	0.9
230.02075	0.6
230.99332	1.0
231.02927	7.3
232.03384	0.6
241.01340	2.9
242.02127	6.4
243.02922	10.5
244.03325	0.6
245.00867	0.6
258.01703	1.3
259.02463	21.1
260.02817	0.6
269.00830	1.0
270.01758	2.5
271.02472	23.9
272.02820	0.8
287.01962	71.7
288.02335	4.3
297.00549	0.8
299.99088	4.6
314.15546	0.5
315.01453	100.0
316.02161	44.7
324.58298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01243	0.6
71.01275	0.1
72.99155	0.2
80.57453	0.2
85.72631	0.2
89.02296	0.3
93.03342	0.3
93.52560	0.2
95.04890	0.2
98.20529	0.5
98.75074	0.2
121.02842	100.0
122.03181	2.9
167.64293	0.2
180.05701	0.8
181.06519	4.9
182.06888	0.3
197.05977	0.2
225.05518	6.8
226.05867	0.3
231.55928	0.2
254.85635	0.2
269.08304	0.3
284.17542	0.2
313.07202	12.6
313.23734	0.2
314.07544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.47419	0.3
55.70411	0.3
56.20343	0.3
57.03300	0.4
57.11821	0.3
57.52802	0.3
59.01257	2.2
71.01244	0.4
71.12052	0.6
111.00763	0.5
111.08052	0.8
113.09631	0.5
113.51669	0.3
125.09602	0.5
127.11153	1.1
129.09079	1.3
132.69865	0.4
139.11206	0.3
141.09128	0.6
142.09933	0.4
142.96480	0.3
153.12787	4.2
155.10695	0.5
163.11255	0.4
169.12231	2.8
171.13885	0.4
180.00787	0.3
181.12259	10.7
183.01117	1.3
191.01892	0.5
197.02684	0.6
197.11765	1.2
199.13319	1.8
200.35677	0.3
227.12785	0.5
228.13545	0.8
239.23648	0.3
249.22134	0.7
265.21634	0.9
267.23236	0.9
275.20178	0.6
283.22824	0.8
283.59576	0.3
293.21216	8.3
294.21393	0.6
311.17209	3.9
311.22263	100.0
312.22568	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88997	1.1
57.03323	2.8
59.01233	3.5
62.97733	1.1
71.01263	1.2
71.27921	2.7
99.08036	4.6
113.09599	3.7
115.32129	1.1
119.83752	1.1
127.11225	2.8
129.09106	7.7
139.11188	4.2
151.11166	1.6
167.10722	1.4
169.12225	2.8
171.10175	17.1
179.74178	1.2
181.12286	5.9
183.10248	1.1
183.13892	3.7
185.11780	3.4
193.12175	1.6
197.11716	11.1
199.13370	5.8
201.11310	3.9
211.13339	20.5
275.20203	2.0
293.21194	19.7
294.21530	1.5
311.22272	100.0
312.22583	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.3
57.73812	0.6
59.01242	5.4
60.03226	0.7
63.54093	0.7
69.03324	1.5
69.85093	1.8
69.85513	3.3
71.01243	0.9
72.99148	0.9
83.04858	1.3
87.00752	1.3
94.43807	0.7
97.06454	1.0
98.19864	1.1
99.08020	2.8
111.00747	1.2
111.08018	0.8
112.08413	1.0
113.09621	5.0
121.02889	1.2
121.10083	1.0
129.09108	5.5
139.11182	6.4
142.96541	1.4
147.04332	1.2
161.04523	0.8
165.12689	0.9
168.91353	1.0
169.12216	2.2
171.10197	11.6
177.12746	1.4
181.12233	5.1
183.13831	2.2
185.11690	1.1
191.01828	1.4
193.12201	6.7
195.13824	0.9
197.11736	6.8
198.12134	1.9
199.13609	1.0
211.13342	15.4
212.13776	1.0
244.62859	0.9
249.22179	2.2
275.20074	1.2
293.21231	27.9
294.21530	2.1
311.22256	100.0
312.22604	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.7
59.01232	2.4
63.34304	0.5
69.03312	1.0
71.04866	2.0
83.04884	0.6
85.91180	0.5
97.06493	0.6
99.08042	3.9
111.08076	0.9
113.09605	3.8
118.31586	0.7
121.10079	1.3
125.09582	1.1
127.11155	0.9
129.09117	7.6
139.11197	3.3
151.11172	0.7
153.12715	1.4
155.10622	1.4
161.56590	0.6
163.11116	1.0
165.12723	1.1
167.10652	0.6
167.14301	0.8
169.12248	2.5
171.10172	11.6
181.12270	5.8
183.10176	0.9
183.13841	3.0
185.11732	1.8
193.12279	4.5
197.11758	8.8
199.13306	2.4
201.11307	0.7
211.13321	25.5
214.40742	0.5
242.88455	0.6
245.50922	0.6
265.21609	0.8
269.12463	0.6
275.20084	2.0
292.77045	0.6
293.21219	17.9
294.21704	1.3
311.22266	100.0
312.22586	8.4
323.73065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
66.58573	0.4
68.37483	0.4
70.44221	1.6
71.04870	0.7
75.50494	0.4
85.05675	0.5
90.34853	0.4
97.69546	0.5
106.60549	0.5
113.09643	0.7
121.96508	0.5
125.09589	2.8
126.32044	0.5
139.11169	2.8
144.90222	0.5
150.10406	1.1
153.12790	0.5
163.11203	6.0
165.12782	1.0
165.52402	0.5
167.10675	1.7
167.14330	0.8
168.11459	2.2
171.10147	2.4
179.14355	0.7
181.12218	0.6
182.13025	1.5
195.00357	0.5
228.42902	0.6
249.22177	5.1
267.23288	0.6
293.21210	91.4
294.21561	7.7
311.22253	100.0
312.22568	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03312	0.8
59.01248	3.4
71.01240	0.8
71.20334	1.2
72.61169	0.5
99.08027	1.0
107.33636	0.5
111.00742	0.6
113.09599	1.3
115.07529	1.6
139.45148	0.7
142.96530	0.9
151.35927	0.6
160.97601	0.9
165.38643	0.6
167.14310	3.1
183.01135	1.5
183.13817	2.3
195.13814	10.5
197.11784	0.8
211.13289	1.4
213.14915	1.1
224.96951	1.1
242.15132	0.8
249.22147	0.8
267.23358	0.6
275.20117	1.0
293.21271	9.5
294.21411	1.0
311.17212	3.4
311.22266	100.0
312.22610	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.9
59.01254	0.9
70.13938	1.5
70.14325	2.1
83.04908	1.1
97.06461	2.6
111.08018	0.7
113.09613	2.8
115.07497	2.0
126.06747	1.1
137.09700	0.8
139.11162	1.5
141.09102	2.5
145.35117	0.6
151.04027	0.6
151.07568	1.2
152.08286	1.5
156.73257	0.7
165.12776	4.3
167.10611	1.4
167.14294	1.6
171.10143	1.1
172.97960	0.8
177.12622	0.7
179.63515	0.6
181.12277	4.9
183.13843	0.9
193.12184	1.8
195.13837	2.2
209.15437	1.2
211.13310	3.9
221.15434	1.9
229.14462	0.9
240.13600	2.1
247.20609	4.2
255.15993	0.8
263.20117	0.9
273.18582	3.2
281.21350	2.1
291.19659	52.6
292.20001	4.4
309.20697	100.0
310.21069	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	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
56.31376	0.9
59.01243	1.1
61.08166	1.0
71.55790	1.9
89.63139	0.9
111.08018	3.8
113.37913	0.8
125.09576	1.4
127.11166	2.2
137.09621	1.2
151.07587	1.8
153.12715	5.2
155.10689	1.6
169.12233	1.8
179.14255	1.3
181.12257	2.9
193.15913	1.1
197.11696	4.9
200.72581	1.1
207.13817	1.8
209.15372	2.7
215.12738	1.6
228.13673	1.3
247.20656	5.6
263.20157	1.3
273.18619	3.1
281.21127	1.8
288.15530	1.0
291.19644	43.1
292.19949	2.6
309.17496	3.4
309.20688	100.0
310.20935	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62415	1.2
65.83826	1.1
69.03326	13.8
69.84531	8.2
83.04920	1.9
95.67455	1.2
98.19865	2.2
107.08553	5.1
107.33217	1.2
108.05703	4.8
109.48661	1.4
111.08046	8.8
115.56248	1.3
119.08543	19.2
125.09607	2.0
127.11157	1.7
135.08037	5.2
137.09616	69.8
138.09976	2.5
169.12326	1.6
169.70390	1.4
171.10181	100.0
172.10513	2.9
185.11893	1.6
197.11774	26.2
198.11978	1.7
201.11241	15.0
211.13361	2.5
229.19490	1.4
229.29500	1.4
263.19943	1.5
273.18616	7.0
291.19684	17.4
309.20715	34.1
310.21100	1.8
315.29541	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.0
59.01239	1.0
60.20541	0.9
68.13532	0.8
69.03314	1.9
69.68049	6.1
71.01255	1.0
83.04894	0.9
109.06413	1.0
111.08041	32.3
119.29121	1.0
127.07549	2.5
151.11171	2.3
153.12701	1.7
167.10538	1.3
169.12253	6.0
171.10104	1.2
181.12213	3.2
183.13818	1.9
197.11758	100.0
198.12137	5.1
199.13301	4.4
211.13329	11.7
227.12852	2.7
263.20145	7.9
265.17996	2.3
273.18536	1.8
273.46393	1.0
291.19653	20.2
292.20139	1.5
309.20676	34.5
310.20901	3.5
310.24088	1.0
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
54.72839	0.6
56.99206	0.6
57.03145	0.8
57.03394	1.6
59.01341	0.8
59.66177	0.6
66.33013	0.7
69.03385	1.1
71.04969	0.9
71.43822	1.4
83.04979	1.2
87.36094	0.6
97.02912	1.2
97.06532	0.8
111.08125	1.3
119.08581	0.6
123.04478	1.4
123.08134	1.0
125.09710	2.4
129.43008	0.7
137.09731	2.8
141.12828	1.2
151.04054	0.8
151.07690	1.0
152.08447	2.0
153.12830	1.0
163.11201	4.7
165.09187	0.9
165.12755	9.3
166.09885	0.8
167.10686	0.9
171.10292	2.5
177.12798	0.9
179.14302	3.3
181.12257	4.0
185.11896	1.2
191.14751	0.7
193.16014	2.6
195.13936	1.5
197.11835	2.9
209.11777	1.9
209.15446	3.0
221.11758	0.9
221.15536	1.0
223.13249	3.8
247.20615	7.6
249.04364	0.7
273.18536	3.1
291.19644	100.0
292.19998	9.3
309.17181	5.0
309.20663	79.4
310.17578	1.3
310.20908	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	8.8
59.01252	3.8
61.77691	1.2
69.03305	3.5
71.00570	2.1
71.04899	3.0
74.63400	1.1
75.07360	1.1
83.04900	4.9
85.06464	3.1
87.04385	2.2
90.95292	1.6
97.02824	8.1
97.06430	2.8
109.06463	2.9
111.04366	1.7
111.08009	1.6
125.09654	1.5
137.09627	3.4
165.12733	2.8
166.85687	1.2
167.10699	1.5
171.10219	6.3
177.12776	1.6
179.14297	4.3
181.12271	2.2
183.13733	1.5
193.12225	1.2
195.13834	21.2
205.12283	2.0
209.11729	1.3
211.13318	3.3
212.90916	1.2
217.15891	1.9
221.15434	24.0
222.15790	1.5
223.13373	12.0
227.12941	2.0
233.15424	2.3
239.16525	7.0
247.20683	6.5
251.16571	2.5
273.18597	4.2
281.21182	1.9
291.16299	2.9
291.19650	89.3
292.20010	8.1
309.20703	100.0
310.21085	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.95846	1.1
57.03325	2.9
58.00447	1.8
59.01236	5.3
59.29673	1.4
64.57116	1.3
67.01759	1.8
69.03309	5.1
71.01260	3.1
71.04886	2.6
71.12470	2.3
79.52348	1.1
80.50417	1.4
83.04895	1.8
85.02822	1.6
97.02829	18.6
97.06467	2.2
107.08537	4.9
113.02337	1.8
119.08551	4.0
121.10120	2.4
123.08011	1.8
125.09640	2.2
127.11234	1.3
129.09167	1.2
137.09612	14.2
143.07047	1.7
163.11200	1.6
165.12782	2.9
171.10179	32.1
172.10606	1.2
181.12346	1.2
185.11691	3.1
195.13814	5.1
197.11757	2.2
197.29320	1.3
201.11223	13.4
205.67404	1.3
207.13911	1.9
207.17509	2.0
209.15430	1.6
211.13303	12.1
221.11867	1.9
221.15395	3.5
223.16992	10.6
227.42773	1.6
233.15323	8.1
235.16869	2.1
247.20688	2.8
251.16502	43.6
252.16785	2.0
266.99338	1.3
273.18683	6.1
286.70749	1.4
291.16260	2.0
291.19656	54.6
292.20013	5.2
309.20706	100.0
310.21078	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01746	0.8
57.03325	1.9
58.00480	2.4
58.60991	0.5
59.01244	5.7
64.60078	0.7
69.03345	0.9
69.44752	5.1
71.01278	1.3
71.04890	22.0
79.37905	0.6
83.04921	0.9
85.02834	0.6
87.79453	0.8
95.04932	1.5
96.95853	0.9
97.06486	6.2
98.20519	1.1
107.04922	0.9
109.06487	1.3
111.08079	1.3
115.89883	0.7
119.08562	0.9
121.10123	6.1
123.08086	1.6
125.09617	5.3
127.07510	0.6
127.11220	1.4
135.08043	1.4
137.09613	22.2
138.09952	0.8
139.11160	0.7
141.12752	1.2
147.08061	0.7
149.94551	0.6
163.14763	0.9
171.10179	68.4
172.10571	2.1
181.12279	1.9
182.89313	0.6
183.10194	0.8
183.13802	0.8
185.11745	10.1
186.09242	0.7
195.13882	0.8
197.11810	3.0
203.88417	0.6
205.16089	0.7
207.13878	2.0
209.11798	0.7
211.13330	1.3
217.15891	0.9
219.13837	2.4
221.15218	1.3
225.14970	0.7
229.19513	1.0
233.15396	2.3
235.16985	3.1
237.14957	2.5
239.16711	0.8
247.20670	2.6
251.16487	24.1
251.20114	2.5
252.16806	2.1
263.20197	1.0
273.18616	7.7
274.18954	1.0
291.19647	86.0
292.20038	6.6
309.20694	100.0
310.21002	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56788	0.6
52.96450	0.5
55.13969	0.6
55.86207	0.6
57.03305	0.8
58.08465	0.5
58.42034	0.6
59.01241	1.6
63.20371	0.5
71.01250	0.8
71.13978	1.1
71.14310	0.6
83.04887	0.7
87.70111	0.7
97.06462	1.4
99.00743	0.7
111.08002	1.2
125.09595	1.3
127.07552	0.8
151.03912	1.2
151.07561	2.5
152.08293	2.5
167.10651	0.6
167.35428	0.6
171.10138	1.3
179.14255	0.8
181.12268	0.8
197.11665	1.9
197.34860	0.5
209.11755	1.0
209.15405	4.4
247.20638	8.8
248.20976	0.6
263.20139	1.6
265.21710	21.2
266.22003	1.6
273.18573	1.2
291.16351	1.2
291.19614	28.7
291.63721	0.6
292.19992	3.2
309.20670	100.0
310.21045	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	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
59.89833	0.3
64.96875	0.4
71.55335	0.4
79.95604	9.1
79.96090	0.4
80.96397	1.0
94.97973	1.0
95.95109	2.5
96.95890	94.0
97.95798	0.4
122.97451	3.7
136.27690	0.3
137.99634	0.2
138.96988	0.3
140.98578	0.3
151.03818	0.4
151.07516	1.3
152.08315	0.6
183.17432	0.4
195.13890	0.7
209.15408	1.3
258.91870	0.2
287.36514	0.3
291.16565	0.3
291.19702	1.1
291.22934	0.5
309.17404	100.0
309.20047	3.8
309.24530	3.6
310.17722	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	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62980	0.9
54.74876	0.9
55.02395	0.8
59.01245	2.9
71.01254	24.6
71.30191	2.1
72.01581	0.8
72.99183	2.6
78.64497	0.8
80.96394	2.4
87.00709	0.9
89.02316	1.7
89.03837	1.4
91.59779	0.8
102.08392	0.9
113.16679	0.9
115.00256	39.5
116.52853	0.8
117.03355	5.0
133.01323	82.2
133.30518	0.8
134.03630	100.0
135.03946	4.3
149.06000	4.1
155.43939	0.8
167.88524	1.0
193.04985	71.5
194.05299	3.7
205.01315	1.2
221.04523	1.0
265.03235	1.2
309.10202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92488	0.3
59.01266	1.3
66.09789	0.3
71.56783	0.5
71.90299	0.3
96.95937	0.4
99.00774	0.3
111.08060	0.3
135.04440	0.3
137.09627	0.6
144.11891	0.3
148.05196	59.1
149.05495	2.3
151.03923	1.0
151.07562	2.4
152.08307	1.3
163.03983	0.6
165.05508	1.4
171.10033	0.3
179.01648	8.8
180.04196	100.0
181.04541	4.2
182.04568	0.4
183.01204	0.5
184.07410	0.4
197.02742	0.8
197.11723	1.1
209.15398	2.4
247.20583	1.5
257.15231	0.7
265.21701	32.5
266.22107	2.1
271.91541	0.4
291.19562	1.9
300.69592	0.4
309.14563	4.7
309.20544	13.2
310.20905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22418	0.9
59.01237	4.4
70.05827	0.8
71.01254	25.9
80.96398	1.4
82.26051	0.9
89.03837	3.4
115.00251	12.0
117.03365	8.0
133.01317	7.3
133.02814	1.1
134.03630	96.0
135.03957	1.9
137.02350	1.5
139.86964	0.9
149.05968	10.4
178.02615	6.6
193.04985	100.0
194.05292	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	308.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87411	1.0
59.01231	1.9
59.68620	0.9
61.61048	1.0
71.01252	22.0
71.10376	0.9
75.11082	0.9
84.04408	2.8
87.32966	1.1
88.03916	3.1
98.20529	4.3
102.05451	5.2
106.48625	0.9
107.04916	0.9
108.02032	4.7
114.01855	33.5
114.37045	1.1
115.00256	31.9
117.03353	4.5
119.17469	1.0
121.02863	1.3
123.04385	4.4
128.03424	6.6
132.02034	1.2
132.02925	14.0
134.03630	100.0
135.04344	7.4
136.05151	3.8
142.08832	1.1
146.04498	8.5
148.05135	1.2
149.05981	58.5
150.06396	1.3
151.03821	1.2
160.01555	4.8
160.03931	1.5
161.02393	6.1
161.04721	1.8
161.05937	1.2
162.03107	4.0
162.05513	1.8
162.06775	1.4
175.03909	7.5
176.07008	2.4
177.04164	1.6
177.05484	3.6
177.07863	3.6
187.06305	4.1
192.06587	32.7
193.05005	31.8
193.06776	2.0
194.02138	1.9
194.05269	1.6
204.06622	2.3
220.09810	2.4
230.08061	1.2
236.05202	1.0
246.07680	13.0
264.08710	10.1
265.09174	1.2
290.06604	1.4
308.07751	65.4
309.08267	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	308.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56443	0.4
59.01243	0.9
64.91257	0.5
66.94093	0.5
71.01256	2.4
71.08854	0.6
71.09191	1.0
74.28785	0.5
80.95552	0.4
85.02812	1.1
86.01001	0.5
88.03908	2.5
91.48621	0.5
100.03921	0.6
101.02311	0.6
102.05483	35.9
103.05861	0.9
108.02051	0.6
109.02837	0.9
114.01832	3.2
115.00237	2.6
121.02822	0.5
128.03423	49.8
129.01871	0.9
129.03760	1.1
131.07011	0.5
132.02005	1.0
132.02914	7.4
133.02866	6.1
134.03632	7.6
135.04411	34.8
136.04774	1.3
146.04486	100.0
147.04810	2.2
149.05984	3.9
161.02351	36.1
162.02673	1.7
172.02422	8.4
175.04021	0.7
178.05122	0.6
179.03403	3.1
192.06500	2.5
193.05011	3.0
212.07919	0.5
220.09714	1.0
229.75967	0.5
246.07625	1.7
264.08749	3.1
290.06735	1.8
293.24429	0.6
308.04239	1.1
308.07748	21.5
309.08060	1.5
309.11865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
60.01563	0.4
69.37701	3.7
71.01249	5.1
72.00774	0.4
88.03915	25.9
102.05471	0.8
114.01860	5.3
115.00255	11.5
115.39086	0.4
123.04452	0.7
125.79980	0.4
128.03432	1.8
132.02921	100.0
133.03314	1.8
134.03633	12.3
135.04472	2.0
146.04489	2.6
149.05998	5.6
160.01585	1.6
161.02364	1.0
174.23598	0.4
175.03952	1.6
178.05020	0.5
192.06621	0.7
193.04976	4.3
246.07671	0.7
264.08725	2.4
308.07761	10.1
308.11151	0.8
309.08127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03310	2.1
59.01252	7.0
68.45432	0.7
68.66472	0.7
69.03316	1.3
70.89991	2.5
71.01253	2.0
95.04892	2.1
111.08026	1.9
161.04498	1.6
163.11205	1.0
167.10692	1.3
171.22725	0.8
177.12750	4.8
177.16420	1.3
179.14319	11.0
195.13803	3.1
205.12231	3.5
205.15891	8.8
218.73866	0.9
223.13339	16.1
223.15355	1.3
224.13708	1.2
231.21088	6.4
232.21666	0.8
257.18918	1.3
271.91690	1.9
275.20135	100.0
276.20462	7.7
289.18011	1.1
307.10397	1.9
307.22769	95.2
308.23019	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	307.2278
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.46880	0.7
59.01245	4.6
68.30104	0.7
70.85423	1.7
71.01245	1.6
73.55505	0.7
83.04904	1.1
85.02851	0.8
96.95907	0.9
119.04975	0.9
125.09676	0.9
135.94627	0.8
149.09593	0.8
171.10187	0.7
194.63596	0.8
231.21062	4.7
257.19177	1.1
263.23819	2.0
271.91788	1.4
275.20139	100.0
276.20453	7.2
289.17734	1.1
307.10516	1.0
307.19330	1.4
307.22748	15.7
308.23236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
52.86851	0.6
54.11650	0.7
59.54389	0.7
68.83673	0.6
70.85530	1.7
70.85871	0.9
89.28705	0.6
110.85284	0.7
170.02837	0.7
183.62247	0.7
191.37613	0.9
307.22772	100.0
308.23163	9.5
310.57672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03297	2.6
59.01237	5.4
65.06581	1.3
70.43703	4.9
71.01246	2.9
83.04877	1.6
94.07592	1.3
97.06451	2.7
99.67926	1.1
101.02334	1.1
106.70433	1.4
121.02864	1.3
121.06516	1.9
123.08007	5.0
127.11114	1.4
134.20586	1.2
139.11215	1.7
149.09599	2.5
150.67480	1.2
151.11195	18.7
153.01877	1.2
153.12744	4.7
163.90681	1.2
169.12195	2.0
177.12747	10.4
179.14284	4.3
191.14417	1.3
197.11778	14.5
205.15952	5.5
209.11880	2.3
231.21135	5.3
233.19109	2.2
271.91760	1.8
275.20139	85.0
276.20566	6.0
307.10501	2.2
307.22760	100.0
308.23096	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.9
57.68206	1.3
59.01236	5.3
60.83278	1.0
65.06336	1.1
70.43880	3.5
70.44238	1.7
71.01248	1.2
79.95672	1.3
80.02566	1.4
80.51658	1.1
81.03349	4.2
83.01251	2.4
83.04847	1.7
83.59412	1.1
95.04916	2.6
97.02824	5.0
97.06454	5.2
106.04099	1.4
109.06465	3.1
110.03613	1.3
121.06490	2.6
123.04408	7.1
123.08035	2.7
125.09626	11.8
133.06483	1.1
135.08057	3.9
137.09630	11.0
141.12741	2.0
149.05991	2.3
163.07567	1.5
163.11208	11.3
165.09077	1.7
165.12778	2.8
171.10188	11.5
177.12846	1.6
179.10657	3.0
181.12257	4.1
185.11769	17.4
191.14316	14.4
207.10243	9.4
209.11734	9.5
217.16019	2.0
225.11211	8.0
245.19070	38.0
246.19414	1.6
263.20056	1.7
271.17090	3.2
289.18103	100.0
290.18478	7.5
307.19147	51.5
308.19498	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.83009	1.2
57.03330	1.2
59.01244	6.7
69.99165	2.0
69.99584	4.3
78.30423	1.3
81.03326	1.4
83.04897	1.8
93.98113	1.4
95.04882	1.4
97.02864	2.0
98.03641	2.2
99.08064	1.5
100.54059	1.2
103.66225	1.3
109.06467	2.5
111.08047	1.7
121.06522	1.4
123.04382	1.4
123.08060	2.1
125.09604	2.5
127.07547	7.5
127.11243	1.6
137.09587	1.7
137.31082	1.1
138.06786	1.8
141.09106	1.5
149.09639	3.1
151.11195	6.8
153.09091	2.2
153.12779	1.5
155.10698	8.2
157.12233	1.4
158.87526	1.1
163.11194	2.1
164.08438	1.5
167.10680	2.6
169.12274	1.6
177.09215	1.7
177.12733	3.5
179.10780	1.6
181.12192	1.7
188.85205	1.1
191.14302	6.0
197.11775	2.5
205.12241	2.4
217.16071	1.5
224.10419	1.7
235.20494	1.3
239.09224	2.5
245.19075	28.0
246.19574	1.7
263.20154	8.1
271.17178	2.3
279.19608	3.2
289.18094	52.7
290.18469	3.8
307.19135	100.0
308.19394	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	307.1915
Annotation	Albocycline
Peak:m/z	Relative Intensity
52.78839	1.5
53.02892	1.6
57.03291	2.4
57.90780	1.7
59.01254	9.3
60.96081	1.5
64.10982	1.8
65.71642	1.6
69.03326	4.1
70.69768	4.2
71.01241	3.6
72.99178	16.8
78.81741	1.6
79.25888	1.7
83.04911	3.3
83.90884	1.5
96.17651	1.8
96.95902	2.1
101.02326	3.0
111.08040	5.7
119.08511	2.0
123.08065	12.2
135.00743	2.1
137.09616	18.6
141.09103	11.8
185.08119	4.1
187.09650	7.1
223.02795	6.0
241.81970	1.8
245.19099	2.3
261.18518	2.6
271.91702	5.4
284.34488	1.8
289.14380	1.9
289.17828	3.9
291.09067	12.6
307.19128	100.0
308.19598	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	307.1915
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03315	8.6
59.01247	11.8
59.36134	1.8
69.03317	2.1
71.01238	8.8
71.04916	2.3
71.27905	4.0
80.02530	2.9
81.03328	3.3
83.04885	2.5
92.52919	2.4
95.04914	3.5
97.06474	17.8
98.03607	3.1
109.06454	6.0
111.08027	12.7
123.04448	2.2
123.08041	4.7
125.09616	5.6
127.11172	2.7
137.02324	3.5
137.09608	2.9
149.09576	5.0
151.11179	17.0
153.09093	5.6
155.10672	11.7
163.11211	6.8
165.12752	19.6
166.09901	2.9
167.10669	5.7
169.12210	3.8
177.12749	6.0
179.10698	6.0
181.12305	22.6
188.67813	2.1
188.70198	2.0
191.10674	10.1
191.14354	6.8
193.12202	2.1
197.11723	3.9
205.12248	5.0
209.11749	46.9
211.13327	6.5
234.77126	2.4
235.20482	2.4
239.09222	5.5
243.17201	2.1
245.19060	38.9
246.19354	2.3
263.20126	11.9
271.17004	4.8
279.19690	4.1
289.18085	41.8
290.18469	2.9
296.55899	2.3
307.19147	100.0
308.19586	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63500	4.4
54.34526	4.0
57.03323	13.5
59.01231	13.9
61.05382	3.7
61.50887	3.7
63.94720	4.7
68.27800	4.1
69.65810	3.9
70.31821	3.9
70.32143	18.8
71.01254	12.5
74.98808	4.2
81.03284	3.9
84.76742	3.9
97.06456	22.9
109.06473	5.2
111.08060	12.2
121.02817	4.7
125.09602	10.6
137.09610	4.9
149.27565	4.4
151.11197	36.3
155.10693	14.1
156.62651	4.4
165.12790	33.9
169.12251	6.7
181.12285	31.0
191.10693	13.3
191.14423	7.7
209.11778	73.1
211.13342	11.6
218.80630	5.0
243.17645	4.8
245.19067	36.5
261.18689	5.0
263.20123	12.0
271.17148	4.5
279.19656	6.2
289.18112	55.6
307.10483	6.8
307.19162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	6.6
59.01244	5.1
64.96240	1.7
69.03311	2.0
69.27513	8.6
69.27941	10.7
80.02579	2.2
81.03323	5.4
81.36097	1.7
83.01253	7.3
83.04866	2.3
93.03388	2.1
95.04883	4.5
97.02832	7.1
97.06476	7.3
101.47952	2.2
109.06497	3.7
119.08574	1.9
121.06501	2.9
123.04430	9.4
123.08028	4.5
125.09598	19.0
135.08052	3.5
137.06004	2.2
137.09633	12.8
141.12744	3.5
142.02626	3.3
147.21027	1.7
149.05981	3.3
163.11217	16.3
165.09077	1.9
165.12738	3.3
167.10555	2.3
168.26765	1.9
177.12910	1.9
179.10719	3.3
181.12254	3.8
185.11794	23.3
191.10730	3.4
191.14307	19.5
200.80865	1.9
207.10092	9.8
209.11774	36.9
210.12051	2.7
211.13467	1.9
217.15961	2.0
225.11217	9.6
226.11858	2.4
245.16696	3.7
245.19072	45.5
246.19511	3.4
261.18555	2.2
263.20142	2.1
271.17105	5.0
289.18085	100.0
290.18381	9.9
307.15671	3.4
307.19122	53.3
308.19321	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.8
59.01232	5.6
70.17188	1.1
71.05099	2.1
74.22338	1.1
80.02525	1.8
81.03330	5.5
95.04899	1.8
97.02819	3.9
97.06476	3.9
109.06463	1.7
116.62568	1.2
121.06471	2.4
123.04433	8.7
123.08036	1.6
125.09631	7.3
135.08005	2.9
137.09615	7.9
141.12692	3.0
142.02586	1.2
149.06006	1.9
163.07562	1.4
163.11189	11.4
165.09077	1.2
177.12750	1.5
181.12209	2.1
185.11731	15.1
191.14328	13.9
207.10194	8.6
217.16061	1.3
225.11375	8.2
245.16689	2.6
245.19078	39.2
246.19292	1.4
247.35223	1.5
250.51707	1.3
251.12674	1.3
263.20172	1.6
271.17099	4.2
289.18091	100.0
290.18457	7.4
307.19116	42.8
308.19394	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69488	0.4
57.03359	0.6
59.01257	3.4
61.29444	0.4
67.12583	0.4
69.03366	0.6
70.90806	0.8
71.01292	0.8
71.04892	5.5
73.49930	0.4
75.49445	0.4
80.02578	0.8
81.03361	2.0
83.04896	2.1
93.03329	0.3
95.04925	1.9
97.06542	1.1
98.03673	1.2
106.04180	0.8
107.04927	0.4
109.02856	0.8
109.06477	12.3
110.17958	0.4
111.04408	6.7
111.05096	0.4
111.08087	1.3
112.05249	1.0
121.06512	0.8
121.26367	0.4
123.08107	1.4
127.07543	3.5
127.08300	0.3
129.09184	0.5
135.08174	0.5
137.06000	0.6
137.09669	0.9
143.10744	1.6
145.06500	2.1
149.06041	0.8
149.09651	1.5
151.11220	1.1
163.11183	0.6
167.10706	2.4
177.12772	0.5
179.10732	0.7
181.12292	0.5
191.14368	1.0
191.21455	0.4
195.13840	3.9
205.15945	0.5
207.17499	0.9
219.91479	0.3
230.47418	0.4
235.13416	1.7
243.17520	0.6
245.19055	5.8
249.14961	1.1
251.16513	0.7
253.10466	0.4
259.63995	0.4
261.18521	0.7
265.17886	0.4
271.17044	1.7
273.14865	0.6
287.16541	2.1
289.18085	100.0
290.18411	6.8
307.19119	12.2
308.19467	0.9
312.02451	0.5
326.24481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03311	2.9
59.01242	8.3
65.03832	10.9
69.03326	4.1
71.01240	2.4
71.04906	9.5
71.28266	2.7
79.05425	1.6
80.02551	1.9
83.01225	1.1
83.04895	6.9
85.02809	2.0
85.06484	1.3
91.05369	1.3
93.03334	22.6
94.03648	1.6
95.04923	2.1
97.06474	17.1
97.82677	1.2
101.00065	1.3
105.06953	1.4
106.04127	1.8
107.04961	1.4
107.08543	1.7
108.57360	1.3
109.06461	2.0
111.04395	2.4
111.08026	1.5
115.05369	1.8
117.06998	20.2
119.04911	5.2
119.07740	2.2
119.08546	28.2
120.05694	3.4
121.06480	19.6
123.08034	3.5
125.09598	18.8
133.02820	1.4
133.06476	7.4
135.08047	100.0
136.08398	3.3
137.09616	3.7
138.06754	2.3
163.11211	2.0
171.10172	74.7
172.10512	3.1
183.35950	1.5
185.11740	17.6
187.14862	1.3
191.14345	2.9
205.15945	3.1
209.11794	14.3
211.13316	9.8
218.40047	1.4
231.13948	1.4
233.15511	6.7
235.13322	14.7
245.19122	6.0
246.19635	1.4
249.14926	9.0
250.15285	1.7
252.13672	2.5
261.18597	2.7
263.20255	1.7
271.17084	4.0
279.19577	6.2
289.18079	82.6
290.18314	6.2
297.24875	1.3
307.10556	2.5
307.19153	42.2
308.19565	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	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.85456	0.5
55.01743	1.3
55.22307	0.4
57.03323	0.5
58.00469	1.9
58.96864	0.5
59.01249	46.2
69.40174	4.4
71.01251	24.5
72.99176	2.6
73.02822	2.4
83.01247	1.5
85.02825	5.7
87.00746	1.4
89.02314	20.4
93.92455	0.5
95.01276	1.7
95.94111	0.5
99.00729	0.7
99.08032	21.1
100.08321	0.8
101.02320	16.1
113.02333	8.3
119.03385	8.4
127.07535	4.5
129.09081	2.3
141.09097	1.8
143.07027	0.6
145.08604	60.0
146.08919	1.6
149.04585	0.6
151.03891	0.5
179.05493	0.8
187.09694	2.3
307.13968	100.0
308.14304	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	307.0858
Annotation	CHEBI:91170
Peak:m/z	Relative Intensity
51.23693	0.5
59.01248	0.9
70.42249	2.2
79.95601	39.4
80.02557	0.9
80.96385	49.7
81.03319	1.3
82.90944	0.6
83.04880	4.7
84.02037	1.4
95.95076	1.0
96.95884	28.3
97.02803	0.6
98.19878	0.9
104.71409	0.5
109.06466	2.9
115.14783	0.5
125.05895	0.7
135.08054	1.1
143.62209	0.5
155.10623	0.7
163.00255	1.0
163.11195	4.3
165.12747	2.4
169.54008	0.5
176.01050	0.8
181.12347	0.8
189.00432	0.6
191.10747	0.7
199.09842	0.8
207.10176	3.5
209.11758	77.6
210.12059	5.1
225.11203	1.7
227.12819	18.1
228.13109	1.2
238.24239	0.6
250.87744	0.6
274.98343	0.6
307.08548	100.0
308.08881	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	305.0302
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
50.22844	0.5
64.80959	0.4
65.00186	0.6
65.24760	0.4
66.57175	0.4
69.23691	2.2
69.24107	2.0
89.03835	0.5
91.01752	0.5
101.03874	0.6
105.03340	0.5
107.04926	0.4
117.03347	4.2
119.04907	0.9
121.02834	1.3
129.03375	0.8
133.02832	4.8
145.02835	9.1
146.03246	0.5
147.04459	0.7
149.02438	0.5
157.02890	1.4
161.02347	13.2
162.02698	0.6
163.03912	3.6
173.02388	6.8
179.03378	0.6
188.01128	0.6
189.01848	16.2
190.02234	1.2
191.03271	0.5
201.01862	7.3
216.00591	1.0
217.01360	58.3
217.99910	0.6
218.01714	3.5
229.01320	5.2
245.00868	47.2
246.01189	2.5
263.01935	1.1
273.00378	100.0
274.00696	6.7
282.45630	0.4
287.01920	0.5
288.99869	1.0
305.02997	45.3
306.03391	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	305.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87360	0.9
56.67162	0.9
57.03303	1.7
57.44332	0.8
59.01249	26.9
61.16158	0.7
62.07576	0.8
69.03318	2.4
69.35686	3.1
69.36122	3.9
71.04889	2.7
85.06436	1.0
93.03322	1.8
108.02033	1.2
109.06466	1.6
114.13987	0.7
125.09673	1.0
127.07481	1.0
141.01639	4.0
152.91725	1.0
160.98706	1.1
163.81090	0.8
165.12715	1.5
167.10730	5.1
167.58952	0.9
177.12668	1.4
178.91817	0.9
179.10693	1.7
179.14386	4.2
195.13818	13.9
196.14084	1.0
205.12257	13.2
223.13335	100.0
224.13654	5.6
245.11566	12.1
277.08737	1.0
287.16492	3.0
305.08151	2.4
305.13696	7.0
305.17542	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	305.03
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
52.88388	1.6
59.01237	2.0
66.00661	1.9
69.30204	1.7
71.55019	2.3
71.55728	1.7
81.82815	1.6
82.92057	1.8
88.12576	1.5
92.93227	1.5
101.90643	1.4
111.00740	2.7
117.03364	4.3
125.02282	2.3
133.02843	6.5
145.02855	5.8
161.02348	12.7
163.03900	2.7
165.05455	3.1
166.02621	6.2
173.02365	6.4
176.03403	3.1
177.01888	3.8
177.05424	2.6
181.12120	1.7
189.01880	21.2
190.02638	17.3
193.01329	5.7
193.04918	5.2
195.97540	1.7
201.01863	8.5
202.99622	2.1
203.03400	9.7
205.01398	3.2
205.05005	1.9
217.01361	22.3
218.02179	20.4
219.02620	2.1
221.00815	2.2
221.04582	4.6
222.01662	5.4
229.01392	3.8
230.99400	3.1
231.02977	10.4
233.04420	3.3
235.02353	1.8
245.00888	18.0
246.01604	9.9
248.03156	5.2
249.01582	3.3
249.04004	46.0
250.04184	2.2
253.74037	2.0
261.04019	5.4
262.07364	2.2
273.00394	25.7
274.00708	1.9
277.03500	100.0
278.03802	8.0
305.03000	94.1
306.03293	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	50.9
66.01744	1.3
70.83649	4.5
73.76257	1.7
83.27348	1.6
92.06178	1.5
98.19921	1.9
102.38396	1.5
168.13855	100.0
169.14131	3.8
183.67882	1.6
212.12874	3.3
290.40356	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	304.2281
Annotation	Samandarine
Peak:m/z	Relative Intensity
56.01345	0.4
58.02828	0.4
59.01255	2.2
70.05558	0.3
70.89806	0.7
70.90175	0.7
86.05984	37.8
87.06316	0.7
98.19820	0.3
100.60617	0.4
104.87680	0.3
125.79826	0.3
130.04990	1.4
136.84326	0.3
141.01575	1.4
142.87512	0.4
160.98756	0.4
168.13904	0.9
262.21722	1.4
304.22815	100.0
305.17740	0.5
305.23160	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.02832	0.2
56.90588	0.2
57.07853	0.2
60.97380	0.9
63.49542	0.3
68.02501	0.2
74.98959	0.4
78.35619	0.2
91.02024	0.3
93.00014	0.3
102.74085	0.2
103.72340	0.2
118.96156	0.6
123.00799	0.2
134.99284	5.8
136.97212	2.3
141.07295	0.4
143.05284	0.4
150.98755	0.3
152.96802	0.2
159.08386	1.6
161.06293	6.5
162.06525	0.2
173.02220	0.2
201.04070	0.6
203.05565	3.5
205.03552	1.1
215.05537	1.1
217.07156	83.9
218.07281	5.5
235.08131	0.6
261.06198	0.9
275.78949	0.2
283.11960	0.5
283.99655	0.3
285.13464	34.2
286.13705	3.4
286.16730	0.2
293.40228	0.2
300.99896	3.6
301.16586	100.0
302.00226	0.6
302.16791	8.9
303.14423	0.3
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
51.02337	0.3
52.15517	0.4
58.33976	0.4
59.01249	51.3
60.01579	0.6
63.02266	2.1
65.00200	4.2
71.56331	0.4
73.02818	6.7
77.48495	0.4
83.01264	2.1
88.41207	0.4
93.03342	1.1
93.91840	0.4
95.01273	0.5
106.06498	0.9
107.01275	9.7
108.04433	3.0
111.00697	0.5
117.03344	1.0
119.04840	0.7
121.02865	4.1
121.05191	0.6
123.00719	0.7
124.07571	1.8
125.02332	6.1
129.03351	1.1
133.02847	0.6
136.07567	8.1
137.52892	0.4
138.03165	0.5
139.00262	0.9
139.03911	0.8
140.01030	1.0
145.02864	3.4
147.04434	0.6
151.00270	14.7
157.02824	1.7
159.04469	0.5
161.02330	0.8
163.00342	0.5
163.03914	1.3
169.01335	18.3
170.01730	0.9
173.02353	3.4
174.02867	0.5
178.99788	5.5
181.17897	0.5
185.02403	4.8
189.01820	1.1
189.12822	0.4
192.00609	0.6
199.00336	0.5
200.01015	0.6
201.01843	4.1
207.13860	4.0
213.01831	0.4
216.00555	0.7
217.01262	1.4
225.14900	3.9
225.38084	0.4
226.99786	1.1
227.12848	13.5
228.00475	0.7
228.13231	0.4
229.01385	5.2
229.05022	1.0
231.42506	0.4
245.00874	3.0
251.12755	1.3
254.99338	0.6
255.02812	0.5
257.01007	2.1
257.12933	17.0
258.13223	1.3
261.42078	0.5
269.13791	1.2
273.04111	0.8
283.15530	8.4
283.99631	4.7
284.15854	0.7
285.00058	0.8
299.99118	4.7
300.99854	100.0
301.03445	22.4
301.16586	10.3
302.00198	10.0
302.03760	2.5
302.16675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
56.41616	0.3
57.92381	0.3
59.01249	6.9
63.01933	0.3
63.02267	9.0
65.00194	15.8
69.52268	2.6
73.02812	1.1
81.03339	0.5
83.01259	10.3
93.03327	5.0
95.01262	0.6
107.01270	28.6
108.01546	0.6
108.99200	0.7
109.02843	3.0
111.00755	0.6
117.03296	0.4
121.02841	22.7
122.03220	0.7
123.00768	0.6
124.01569	0.7
125.02324	3.9
133.02834	0.4
136.07564	1.0
137.02385	0.4
139.03966	2.1
145.02859	1.5
146.93494	0.4
147.04420	1.1
149.02348	3.1
151.00273	69.3
152.00603	2.3
157.02879	0.4
159.04414	1.3
161.02332	1.6
161.05757	0.4
163.00288	1.5
163.03894	1.5
164.01039	1.4
169.01335	12.4
173.02353	1.3
175.03947	0.7
178.99782	24.8
180.00119	0.5
183.04366	0.5
185.02364	2.1
185.05885	0.4
187.03885	0.9
189.01855	0.6
191.03383	0.4
192.00548	0.8
193.01389	1.4
198.56883	0.4
200.01035	0.4
201.01825	2.0
201.05482	0.6
203.03490	0.5
205.04999	0.5
207.13870	0.4
211.04004	1.1
213.01912	0.8
217.01485	0.4
225.14964	0.5
226.99850	0.5
227.03488	1.2
227.12875	1.8
229.01483	2.4
229.04996	2.8
230.01927	0.5
239.03436	0.7
243.03093	0.8
245.00911	1.5
245.04471	2.2
255.02972	1.4
257.00970	1.0
257.04483	1.1
257.12994	1.9
258.01547	0.4
271.02533	0.7
272.02972	0.5
273.04056	4.1
283.15488	0.8
283.99619	2.1
299.01880	0.6
299.99097	2.7
300.02332	0.6
300.99899	41.3
301.03531	100.0
302.00284	2.9
302.03876	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	301.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27407	0.2
63.02266	11.5
64.02607	0.3
65.00193	20.0
65.32147	0.1
65.42579	0.2
66.00528	0.2
71.56911	0.2
81.03333	0.3
82.35812	0.2
83.01257	13.1
84.01606	0.2
93.03336	7.0
95.01277	0.8
107.01267	31.3
108.01596	0.7
108.99183	0.5
109.02848	2.4
111.00755	0.4
117.03324	0.3
119.04890	0.3
120.02052	0.3
121.02840	27.2
122.03156	0.9
123.00737	0.4
124.01547	0.9
125.02335	1.5
133.02826	0.5
135.00734	0.2
135.04396	0.4
136.01532	0.2
139.03902	2.5
143.04948	0.2
145.02885	1.2
147.00772	0.5
147.04402	0.6
148.01567	0.4
149.02347	4.5
151.00272	89.2
152.00587	2.7
157.02873	0.3
157.06471	0.3
159.04433	0.9
161.02325	1.8
161.05960	0.2
162.03113	0.5
163.00285	1.9
163.03934	1.7
164.01036	2.2
165.01794	0.4
167.04854	0.2
169.01335	7.0
170.01682	0.3
171.04428	0.4
173.02368	1.0
173.05989	0.3
175.03929	0.9
177.05490	0.5
178.99779	31.2
180.00157	1.3
183.04454	0.7
184.05077	0.2
185.02359	0.9
185.05977	0.4
187.03969	1.3
189.01878	0.6
189.05368	0.2
191.03459	0.2
192.00500	0.8
193.01338	1.9
196.00095	0.5
199.03937	0.3
201.01842	1.0
201.05518	1.2
203.03435	0.5
205.04984	0.8
211.03888	1.3
213.05553	0.3
214.02528	0.3
215.03342	0.5
217.01346	0.3
217.04893	0.2
220.36064	0.2
226.99924	0.3
227.03418	1.1
228.04028	0.4
229.01434	1.5
229.04982	2.5
230.02014	0.4
231.02937	0.6
239.03526	0.4
243.02951	1.1
245.00795	0.8
245.04500	2.8
255.02979	1.0
256.03699	0.7
257.00848	0.6
257.04550	1.5
271.02448	0.4
273.00928	0.3
273.04022	5.0
283.99661	1.2
284.02814	0.3
299.02026	0.8
299.99139	1.5
300.02313	0.3
300.99902	25.7
301.03503	100.0
301.70923	0.2
302.00208	2.0
302.03851	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	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
69.96575	1.6
101.03825	0.6
117.03351	2.8
117.26196	0.3
119.04922	0.9
127.01789	0.6
129.03352	2.6
133.02835	1.2
141.03339	0.6
145.02853	7.8
147.04416	1.4
155.01251	0.3
156.02028	0.4
157.02850	3.6
158.03215	0.4
161.02388	1.7
163.03923	2.4
171.00806	0.9
172.01634	0.5
173.02353	8.1
174.02710	0.6
184.01593	0.9
185.02371	10.1
189.01872	2.2
191.03357	0.6
191.83582	0.4
199.00290	1.3
200.01094	2.5
201.01857	10.0
202.02165	0.7
211.00197	0.4
212.01122	0.5
213.01897	0.8
216.00537	1.3
217.01332	2.6
226.99802	3.6
228.00568	2.5
229.01367	12.2
230.01614	0.4
244.00064	1.1
244.98482	0.6
245.00870	6.9
246.01170	0.5
254.99265	0.7
255.99936	0.5
257.00854	4.4
271.99490	0.6
273.00430	0.8
282.98755	0.7
283.99612	12.2
285.00000	0.9
299.99115	13.2
300.99872	100.0
302.00174	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	300.999
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
65.00173	0.2
71.27106	0.3
78.02533	0.2
101.03809	0.2
107.01308	0.3
117.03339	0.9
121.85545	0.2
125.02316	1.0
127.01783	0.2
129.03354	0.9
133.02843	0.3
144.44310	0.2
145.02849	2.7
147.04416	0.7
151.00278	0.8
157.02917	1.5
161.02333	0.7
163.03889	1.1
169.01315	1.0
171.00871	0.2
172.01578	0.3
173.02376	3.0
175.03949	0.3
178.99770	0.4
184.01587	0.2
185.02364	4.0
189.01836	1.2
191.03406	0.3
199.00305	0.7
200.01097	0.8
201.01860	4.0
202.02069	0.2
213.01958	0.4
216.00569	0.3
217.01407	0.9
217.99811	0.2
226.99785	1.4
228.00525	0.7
229.01361	5.0
230.01750	0.3
240.00792	0.2
244.00037	0.2
245.00877	3.3
248.44267	0.2
254.99211	0.4
256.00012	0.3
257.00888	2.8
271.99631	0.3
272.32056	0.2
273.00397	0.7
283.99615	5.6
284.02216	0.2
285.00064	0.4
299.95813	0.2
299.99069	4.8
300.99884	100.0
302.00238	6.6
302.03729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.5
60.01569	0.8
63.94333	63.2
63.96104	5.2
65.87732	0.7
69.29990	3.6
69.30424	3.2
71.01232	0.8
79.09248	0.7
79.95606	100.0
98.19684	0.8
99.92475	1.3
123.00759	0.8
143.90056	37.5
145.02847	3.3
157.02803	1.2
172.13345	3.7
173.02339	2.8
174.99193	1.0
175.99493	0.8
184.99480	0.8
185.02333	3.5
188.11069	16.1
188.62854	0.8
189.01880	0.9
200.01082	1.2
201.01805	3.3
216.00467	0.8
217.00259	1.2
218.00597	3.1
220.08305	48.4
221.08595	2.4
226.99811	1.0
229.01347	4.0
245.00813	1.3
257.00848	2.5
263.98859	0.9
283.99548	5.2
287.48984	0.8
299.25864	1.2
299.99084	6.9
300.04031	23.8
300.99890	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02267	0.3
65.00186	1.4
69.51601	0.4
69.52003	0.6
70.25512	0.1
81.03369	0.2
83.01270	0.5
87.51593	0.1
91.01786	0.6
95.01308	0.2
107.01277	2.5
108.02049	4.8
108.11351	0.1
109.02924	0.2
111.00812	0.2
119.01263	0.2
120.02081	0.5
123.00802	0.4
124.01556	0.6
129.03387	0.1
131.04991	0.2
133.02859	0.2
135.00775	2.0
143.04921	0.6
145.02849	0.3
147.00755	0.7
147.04416	0.2
148.01558	5.5
149.01970	0.2
149.99614	0.1
151.00270	2.1
152.01042	0.3
153.01837	0.4
155.04936	0.6
157.02878	0.5
159.04420	0.4
163.00285	1.6
164.01042	1.8
167.04890	0.2
169.01311	0.2
171.03088	0.2
171.04369	1.2
173.02332	0.6
174.03137	0.2
175.03983	0.3
182.03648	0.4
183.04466	1.2
185.02388	0.9
187.03896	1.9
188.04704	0.2
189.01869	0.2
192.00526	0.4
197.02409	0.4
198.03131	1.0
199.03918	5.5
200.04353	0.3
201.01877	2.4
202.02644	0.3
203.03481	1.3
211.03908	2.3
212.04271	0.2
213.01816	0.9
214.02667	0.4
215.01370	0.2
215.03444	4.2
216.04166	0.9
225.01851	0.1
226.02684	2.7
227.03444	8.2
228.03883	0.5
229.01376	2.2
230.02028	0.2
241.01340	0.3
242.02136	1.0
243.02953	23.6
244.03314	1.8
245.00882	0.2
253.01448	0.3
254.02191	2.8
255.02957	39.0
256.03323	2.5
257.00992	0.3
271.02460	89.9
272.02893	6.8
273.03510	0.2
283.99680	0.6
286.01080	0.3
299.01974	2.2
300.02716	100.0
300.99835	10.7
301.03122	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
52.83102	1.9
55.24401	1.8
58.00463	5.8
59.01250	100.0
61.71068	1.9
69.78422	9.2
71.01250	69.5
71.60232	2.0
72.99194	6.6
78.95784	3.0
79.93995	1.9
83.01260	4.0
85.02812	10.1
88.89481	1.8
89.02315	89.4
93.03363	3.2
95.01271	3.7
96.96830	4.1
98.20530	2.7
101.02321	44.3
113.02328	28.8
119.03397	39.9
119.04903	48.4
119.05723	3.7
131.03351	2.9
137.06001	5.6
143.03397	2.8
161.04431	3.9
171.00409	1.8
172.46870	1.9
179.05608	3.0
242.99442	3.2
270.98856	7.1
298.98364	5.1
299.11337	4.1
299.25861	2.6
299.99109	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	299.2016
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01246	2.0
70.79691	0.4
70.80065	0.3
87.03204	0.2
87.76691	0.2
99.92453	0.3
106.41772	0.2
122.62407	0.2
125.09666	0.3
153.15326	0.2
174.99191	0.5
217.00209	1.6
299.20148	100.0
300.20483	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01254	5.7
68.02413	3.2
71.01260	0.9
71.56011	0.6
71.56437	1.0
75.38112	0.6
75.41651	0.5
81.35693	0.5
83.04880	0.5
84.56211	0.6
85.02850	0.6
85.92336	0.6
87.00771	0.7
89.02322	1.1
96.95912	0.9
98.95473	2.1
99.08039	1.0
101.02325	0.7
102.46373	0.6
113.09626	3.4
115.77115	0.6
119.49727	0.5
133.04948	0.7
179.14357	1.7
183.13853	4.2
195.13850	27.0
196.14233	1.1
212.30812	0.6
277.21725	24.8
278.22058	2.1
295.22787	100.0
296.23151	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	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
58.00462	2.8
59.01248	100.0
60.01575	2.0
60.86289	1.2
67.22404	1.3
70.99823	3.4
71.00161	1.4
71.01252	42.7
72.99175	4.5
73.02818	6.1
83.01251	3.1
85.02824	12.5
87.00768	1.8
89.02316	46.0
95.01266	3.0
96.80599	1.2
99.00775	2.7
101.02316	28.8
105.36548	1.2
113.02317	16.9
119.03389	17.6
120.66405	1.3
131.03450	2.0
135.06546	20.5
143.03410	3.5
159.02898	1.8
161.04453	16.3
179.05507	14.4
181.05066	1.5
237.09753	10.0
297.11880	29.4
297.24338	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03309	0.6
59.01256	2.5
68.02396	0.6
69.94672	0.2
70.14511	1.1
71.01252	0.5
71.28190	0.3
83.04897	0.5
85.44563	0.3
97.06471	0.4
99.08025	0.3
113.09617	2.2
129.26837	0.2
169.12189	0.3
171.10127	0.3
177.12788	0.8
179.14305	1.1
181.12311	0.5
195.13840	18.5
196.14247	1.2
215.83170	0.2
231.90437	0.3
233.22661	0.3
256.41922	0.3
259.20789	0.3
260.40759	0.3
277.21729	19.5
278.22086	1.6
295.22781	100.0
296.23126	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
59.01250	7.1
62.12963	0.7
68.02410	3.9
71.01250	2.5
81.23679	0.8
85.02829	0.9
87.00763	1.0
89.02332	0.9
94.55475	0.7
96.95867	1.2
98.20562	1.7
98.95450	2.5
98.96290	0.9
101.02288	1.7
106.68222	0.9
121.02802	1.0
125.09628	2.0
129.14876	0.7
133.04979	1.1
139.11169	1.1
155.14311	2.8
171.10188	37.3
172.22421	0.8
183.10179	1.8
195.13803	1.5
213.18675	1.3
223.30606	0.9
240.42740	0.9
251.23943	1.5
277.21729	46.4
278.22061	2.8
292.86960	0.9
295.17523	3.1
295.22791	100.0
296.23096	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.44793	0.5
57.03321	1.1
59.01242	1.9
68.23632	0.5
69.56174	1.1
69.56578	3.1
78.85624	0.5
79.20558	0.4
93.46052	0.5
94.14440	0.5
107.99222	0.4
109.54443	0.4
110.10748	0.4
113.09628	0.8
114.44421	0.5
125.09581	0.8
132.50998	0.6
141.12802	0.7
171.10181	30.9
172.10481	1.1
181.78386	0.5
183.10201	1.7
195.13780	3.5
259.20605	0.7
277.21719	45.4
278.22089	3.1
295.22775	100.0
296.23077	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	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01257	9.3
68.02407	10.8
71.01245	13.5
71.56694	3.9
72.99160	2.3
79.61983	2.3
87.00746	2.5
89.02330	3.0
107.04919	2.3
109.28083	2.7
110.79253	2.4
113.05993	2.2
115.00253	41.4
133.01320	100.0
135.04407	14.6
137.09602	2.2
177.10730	2.4
179.03444	14.5
189.12833	6.9
251.12877	10.2
295.11807	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.79759	0.6
55.71011	0.7
59.01247	3.0
62.23379	0.8
69.70084	4.3
71.01251	16.8
72.01604	0.9
72.98810	0.7
72.99174	3.8
84.44941	0.7
86.48733	0.8
87.00760	0.9
89.02310	2.8
107.04908	0.7
111.66210	0.7
115.00257	45.8
116.86466	0.8
129.30594	0.6
133.01324	100.0
134.01656	1.7
134.03630	1.5
135.04420	14.5
135.28160	0.9
137.09563	0.8
149.02205	0.7
159.17224	0.7
169.01402	1.2
173.18327	0.7
179.03423	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	294.9586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.1
65.79735	1.4
67.55177	1.3
68.02410	4.4
70.99471	2.0
71.01242	6.8
71.56094	2.6
76.93823	1.7
77.16051	1.3
80.96373	8.2
88.03914	3.8
89.02364	1.4
89.15269	1.4
89.42706	1.7
93.85387	1.4
96.98080	1.3
97.02840	1.6
97.94591	1.2
98.98976	30.8
110.97435	1.6
112.93633	1.3
113.97694	14.7
115.00251	8.4
126.98485	31.0
129.00060	4.1
132.02913	6.9
135.04401	2.3
141.97214	22.9
153.01758	2.3
154.82597	1.3
154.97966	9.5
156.99557	28.4
182.97493	100.0
183.97723	4.4
184.99010	3.4
191.58592	1.5
212.98570	56.6
215.00143	34.5
294.95837	5.9
295.06708	2.2
315.69040	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	294.9585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.7
65.00175	0.8
68.02429	1.0
68.33302	0.8
71.01288	0.8
71.32319	1.2
79.95573	0.8
80.96401	7.2
98.98981	23.5
113.97713	7.9
126.98492	23.1
129.00040	3.5
141.79494	0.7
141.97205	16.9
153.01840	1.0
154.97989	9.5
156.98264	0.9
156.99562	26.2
182.97505	100.0
183.97797	2.5
184.99051	3.0
188.91663	0.8
198.97011	0.8
212.98584	42.8
213.98878	1.4
215.00136	19.9
216.00603	1.1
294.95853	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	293.2122
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.22535	0.6
57.03325	1.1
58.90079	0.6
59.01256	4.0
61.98701	0.6
64.22021	0.5
68.02407	53.8
69.02112	1.9
69.02738	4.5
69.03323	1.2
69.48042	0.5
71.01249	3.3
71.04874	0.7
71.56498	0.8
79.57678	0.7
83.04874	0.7
85.02820	1.0
89.02319	1.7
93.53060	0.6
95.01214	0.6
97.02785	0.7
99.18678	0.6
99.83325	0.6
101.02328	0.6
123.08080	1.0
126.99473	0.8
131.03413	1.1
131.07011	0.7
136.08835	0.9
139.11115	1.2
151.11226	2.9
152.08167	0.7
152.91682	1.5
153.09085	1.1
161.04424	1.4
166.90904	0.9
169.12227	2.7
176.98177	0.8
192.11499	1.6
193.15871	2.6
194.92744	0.9
197.11757	37.0
198.12062	1.3
211.13380	1.1
220.14629	4.4
221.15382	8.2
231.21132	1.3
236.10481	5.2
249.18535	1.2
264.96262	0.7
275.20132	21.3
276.20432	1.4
293.08719	2.0
293.21201	100.0
294.21545	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.8
58.13924	0.9
59.01245	2.5
62.85186	1.1
68.02417	8.5
69.02762	1.2
69.03301	1.0
71.01254	1.4
71.05089	2.0
80.64986	1.1
92.04638	1.0
97.12849	1.0
102.76151	0.9
109.06470	1.8
109.38596	1.2
109.49053	1.3
121.39754	1.2
127.07532	1.3
143.81142	1.3
147.91579	1.0
156.15485	1.1
157.93027	1.0
183.13820	26.0
185.80829	1.2
195.13814	10.5
198.31714	1.0
210.90096	1.1
211.13388	8.9
220.14598	1.5
221.15335	1.2
223.13336	10.2
236.10536	1.7
251.45140	1.2
253.44513	1.2
256.13312	1.3
265.21634	3.0
265.44910	1.2
275.20233	14.1
293.21231	100.0
294.21594	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42287	0.9
59.01240	5.1
68.02406	5.1
69.99571	4.9
71.04881	6.7
84.94580	1.0
98.20434	1.4
171.10182	0.9
209.15402	3.1
215.47594	1.2
221.15428	2.0
223.16998	8.0
231.21152	3.3
235.16995	50.2
236.17374	3.7
259.83395	0.8
275.20126	50.4
276.20407	4.0
290.00183	1.0
293.21216	100.0
294.21545	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22535	0.6
57.03325	1.1
58.90079	0.6
59.01256	4.0
61.98701	0.6
64.22021	0.5
68.02407	53.8
69.02112	1.9
69.02738	4.5
69.03323	1.2
69.48042	0.5
71.01249	3.3
71.04874	0.7
71.56498	0.8
79.57678	0.7
83.04874	0.7
85.02820	1.0
89.02319	1.7
93.53060	0.6
95.01214	0.6
97.02785	0.7
99.18678	0.6
99.83325	0.6
101.02328	0.6
123.08080	1.0
126.99473	0.8
131.03413	1.1
131.07011	0.7
136.08835	0.9
139.11115	1.2
151.11226	2.9
152.08167	0.7
152.91682	1.5
153.09085	1.1
161.04424	1.4
166.90904	0.9
169.12227	2.7
176.98177	0.8
192.11499	1.6
193.15871	2.6
194.92744	0.9
197.11757	37.0
198.12062	1.3
211.13380	1.1
220.14629	4.4
221.15382	8.2
231.21132	1.3
236.10481	5.2
249.18535	1.2
264.96262	0.7
275.20132	21.3
276.20432	1.4
293.08719	2.0
293.21201	100.0
294.21545	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	293.2121
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
58.27933	0.7
59.01242	1.7
68.02403	10.7
71.01242	2.2
71.56637	0.8
72.65280	0.8
88.80112	0.7
96.95886	14.7
125.09573	1.0
139.11198	11.2
153.09087	2.3
167.03311	0.7
171.10176	50.5
172.10432	1.2
176.49603	0.7
179.38794	0.6
191.24707	0.7
193.15858	1.2
220.14648	1.6
221.15387	5.8
236.10562	4.1
265.21619	2.0
275.20160	1.6
293.17929	10.3
293.21170	100.0
294.18396	1.1
294.21497	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64399	1.2
56.75969	1.2
59.01230	2.2
60.33505	1.2
70.43446	2.8
70.43806	3.3
96.98513	1.2
98.20682	1.3
119.08623	1.9
121.10117	46.3
125.09595	1.8
171.10176	84.1
172.10463	2.7
185.11684	3.7
197.11792	1.5
231.21140	4.7
275.20148	100.0
276.20459	8.8
293.21216	62.7
294.21536	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83389	0.7
59.01242	1.9
65.88534	0.6
69.03311	0.8
69.39040	6.1
69.50780	0.7
76.94046	0.6
111.08017	1.3
113.09539	0.8
113.75211	0.6
129.44740	0.6
150.09099	0.6
151.58858	0.7
167.10709	1.0
179.14243	1.8
195.13826	16.5
196.14561	2.1
198.61496	0.7
205.12198	0.9
205.15942	1.1
211.13301	1.2
223.13344	13.0
224.13818	1.5
228.13626	2.4
231.21147	1.2
239.12863	0.8
256.13156	4.8
256.62692	0.6
265.21704	0.9
275.20129	9.5
293.21219	100.0
294.21570	10.4
296.64249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73139	0.6
57.03323	6.5
59.01238	2.9
60.94601	0.8
61.64491	0.7
64.44673	0.7
67.84465	0.8
68.02393	3.7
69.99517	3.0
73.47962	0.7
76.02589	0.7
76.19542	0.8
97.06458	0.9
109.06470	0.8
113.08804	1.2
113.09600	19.2
117.89434	0.7
121.10107	2.7
123.34004	0.7
139.11180	1.4
149.09656	0.9
155.14044	0.7
167.10690	2.0
171.10147	8.2
172.12355	0.8
177.12747	1.4
179.10706	1.3
195.13811	2.9
221.15436	0.9
236.10321	0.9
249.22327	1.6
275.20163	11.6
293.21210	100.0
294.21613	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
68.02410	4.8
69.02755	0.4
71.01254	8.3
71.20348	0.4
95.32313	0.2
97.88910	0.2
126.57867	0.2
127.07612	1.0
148.05188	1.5
151.07544	0.5
164.08284	1.7
166.90953	0.5
171.10165	0.2
177.09122	5.5
190.09862	0.3
191.10696	0.3
192.11485	6.4
192.13220	0.3
193.12044	0.3
194.92664	0.3
195.13794	0.5
205.12276	9.0
206.12706	0.5
207.13817	1.5
210.90109	0.2
217.08658	0.4
218.09399	2.3
220.14633	50.2
221.15401	100.0
222.15735	6.2
223.13432	0.3
224.10463	0.2
235.13373	1.3
236.10492	71.8
237.10873	4.7
275.20047	0.4
293.08786	0.4
293.17566	7.2
293.21158	3.2
294.17804	0.7
294.21237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
58.00459	1.0
59.01248	41.7
67.58303	0.8
69.84913	2.0
69.85323	3.0
71.01248	21.2
72.99174	1.9
76.66540	0.7
83.01266	1.6
85.02831	5.1
85.06458	15.7
87.00725	1.0
89.00938	0.8
89.02311	16.1
95.01254	1.3
98.19832	1.0
98.29721	0.8
101.02319	10.5
103.33469	0.8
113.02336	5.7
113.05981	4.8
115.07545	1.6
119.03387	5.2
119.04892	1.0
120.05257	1.8
120.87893	0.8
127.07555	2.0
128.03331	0.9
131.07034	50.0
132.07312	1.6
139.47534	0.8
146.04424	1.7
173.08119	1.4
179.05458	0.8
248.22043	0.9
293.12408	100.0
294.12766	6.3
306.00522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.4
59.01250	14.4
61.17569	0.3
61.98711	0.5
65.00176	0.3
68.02409	27.7
68.86108	0.3
69.02112	1.1
69.02750	2.2
69.03320	1.0
71.01240	1.5
71.56882	0.6
89.02308	1.7
96.49128	0.4
96.95876	0.4
97.02837	0.5
101.02321	0.9
101.35386	0.4
103.91909	0.5
113.02335	0.5
121.02869	0.5
125.02261	0.4
128.99200	0.6
131.03401	0.5
131.07002	0.7
147.99805	0.4
152.08252	0.5
152.91692	0.9
161.04471	0.7
165.12724	1.1
166.90965	1.4
167.14297	0.8
175.14986	0.4
183.13838	7.9
183.15407	0.3
193.12224	2.5
194.92735	0.9
210.89967	1.5
211.13333	100.0
212.13667	4.7
221.15309	0.5
233.11536	12.8
234.11876	0.6
254.33412	0.4
264.96140	0.5
293.09082	2.2
293.13806	5.0
293.21194	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	293.1031
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.01751	4.1
57.03308	6.1
59.01245	9.2
60.99161	3.0
63.96096	3.9
64.96867	4.6
68.02409	36.8
69.02726	2.5
69.03307	4.9
70.79996	2.5
70.80342	3.8
71.01250	12.3
73.02818	3.4
79.05394	5.3
80.96053	1.4
80.96400	17.8
81.03322	2.8
83.04882	4.3
85.02826	10.8
89.02327	4.1
93.03304	2.9
93.06976	1.8
95.01245	2.0
95.04896	16.5
97.02827	21.5
97.06461	2.2
99.04386	3.2
101.02302	6.6
105.06973	2.3
107.04895	8.6
108.02043	4.4
109.02818	15.4
109.06480	15.2
111.04400	24.6
111.08010	5.1
113.02316	6.1
119.04871	1.8
119.08495	2.0
121.06460	10.2
122.03622	86.1
122.11459	2.0
123.04427	3.7
123.08076	2.9
124.05187	40.2
125.02355	1.9
125.05991	9.4
125.09634	1.7
128.99033	1.7
135.04404	16.6
135.08052	2.7
136.05199	9.2
137.05980	36.8
137.09581	2.7
138.06764	24.0
139.07541	100.0
140.07846	3.6
145.06435	3.0
145.10114	4.5
147.08037	4.5
149.05956	3.0
153.05516	2.1
157.06436	2.5
161.04498	2.3
161.05969	3.8
163.07507	8.9
163.11180	8.9
171.08072	18.0
172.08871	4.4
175.07547	3.6
177.12740	4.9
185.09616	7.9
187.11201	81.9
188.11536	4.6
189.09117	7.5
190.09933	14.2
205.12260	55.8
206.12680	2.8
209.11682	6.6
211.13303	8.8
227.12897	4.2
231.10239	16.1
249.11272	34.4
250.11601	2.8
258.33057	1.6
274.98373	1.7
280.41095	1.5
293.10318	52.2
293.15427	1.9
294.10632	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52955	0.5
56.34170	0.6
58.02842	0.6
59.01251	4.0
68.02408	100.0
69.02105	0.7
69.02737	1.2
69.86086	1.6
69.86476	1.3
71.01248	1.9
71.72511	0.5
72.32448	0.5
78.95809	0.7
85.02758	0.6
89.02311	1.1
119.04916	2.3
126.99438	2.8
128.03413	0.6
145.02878	1.0
146.04468	0.8
152.08202	1.2
152.91701	2.1
156.13843	94.0
157.14188	4.2
161.04547	0.7
166.90977	2.3
187.80760	0.6
192.11441	1.1
194.92738	1.3
200.12851	7.0
205.12263	0.7
210.90005	2.2
220.14583	5.6
221.15430	8.6
232.87456	0.6
234.00771	0.5
236.10487	6.1
250.88622	0.8
292.08435	1.6
292.19928	5.5
293.08786	2.0
293.12323	0.5
293.17657	1.9
293.20932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20132	0.5
57.03319	0.6
59.01258	2.3
65.00191	0.8
68.02409	13.1
69.02728	0.9
71.01249	12.8
71.56474	0.8
72.99178	5.1
73.66864	0.5
78.36494	0.4
85.02844	0.6
87.00755	4.6
89.02309	1.5
92.99746	0.5
95.01257	1.2
96.88917	0.4
96.95872	1.8
97.02773	0.7
115.00280	3.0
117.03343	22.8
118.03716	0.7
119.04913	8.0
120.99228	0.6
121.02843	0.6
128.03404	0.5
129.01836	0.7
131.03415	0.5
131.07008	0.4
145.02850	100.0
146.03212	4.5
147.02895	7.3
161.04457	0.8
163.03935	4.0
169.61937	0.5
177.01813	0.5
219.92070	0.4
221.15434	0.5
230.08583	0.4
255.18240	0.5
261.03894	0.7
264.96136	0.6
293.08795	1.3
293.12521	1.3
293.21350	0.7
294.13702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02860	0.5
59.01253	3.6
68.02406	100.0
69.02119	0.6
69.02744	1.7
71.01257	1.6
78.95818	0.5
79.95609	0.4
83.44011	0.5
89.02315	0.6
90.29330	0.4
90.90908	0.4
101.02332	0.4
103.91883	0.5
109.95779	0.5
119.04911	1.4
121.02840	0.6
126.99452	2.4
136.89873	0.4
146.04495	0.9
152.08130	1.2
152.91685	0.8
156.13837	51.8
157.14188	2.1
159.08333	0.5
161.04478	0.5
163.03831	0.5
166.13069	0.6
166.90965	2.8
194.92747	0.8
200.12852	2.8
210.89911	2.3
220.14690	2.7
221.15437	5.4
236.10422	3.2
248.21030	0.5
252.09966	0.4
274.19162	0.5
292.08438	0.7
292.19962	9.2
293.08759	1.4
293.17776	1.3
293.21100	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	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
64.15930	0.6
67.41101	0.5
68.02404	3.4
69.76785	2.3
69.77188	1.2
75.79000	0.6
82.02857	0.8
84.04422	0.6
88.85729	0.6
93.03316	1.5
96.04419	0.7
98.20547	0.7
101.02304	0.8
102.05485	32.5
104.10028	0.7
117.03339	6.3
117.04102	0.9
119.04914	100.0
120.05269	3.7
128.03429	43.1
129.03799	0.9
144.04518	0.7
145.01682	1.1
145.02850	27.2
146.04485	65.6
147.04585	2.0
162.05530	1.4
163.03926	10.7
172.02455	1.6
174.05576	0.7
183.39661	0.7
188.07129	0.9
202.08693	5.0
204.10242	1.9
230.08232	1.5
248.09271	0.9
274.07220	3.8
292.08228	11.8
293.08591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48476	0.5
58.22719	0.5
59.01234	1.6
68.02402	1.1
71.01244	0.6
82.02827	0.7
83.28120	0.6
93.03336	1.9
102.05479	14.7
117.03366	4.1
117.86916	0.6
119.04911	100.0
120.05257	3.3
128.03421	20.4
145.02855	22.2
146.04486	30.4
147.04539	1.4
157.47932	0.5
162.05522	2.3
163.03911	10.1
172.02405	1.0
174.05528	0.9
202.08653	4.5
204.10260	1.8
230.08086	1.4
248.09279	1.1
274.07175	3.8
292.08267	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15835	0.5
57.03309	2.2
63.10607	0.5
68.02411	1.8
70.59306	1.7
93.06973	1.6
97.06475	2.0
121.09266	1.0
121.10114	15.9
123.08030	1.2
125.09610	7.4
141.12781	0.9
165.12712	0.6
171.10170	0.5
185.11755	16.4
197.11778	4.0
209.11774	1.9
211.13345	2.1
223.13416	1.3
247.20680	1.1
273.18567	2.1
291.19659	100.0
292.16876	0.8
292.20007	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.28859	0.6
57.03321	12.6
58.81459	0.6
59.01256	5.1
68.02410	18.4
71.04876	0.6
71.43591	1.3
83.04897	1.6
89.25349	0.5
97.06418	0.8
109.06459	1.4
119.04946	1.0
121.02817	1.6
121.10086	0.8
125.09615	9.7
135.08051	0.8
146.04492	0.6
151.11195	2.4
153.09123	1.8
163.11201	2.5
165.09132	1.5
165.12741	1.4
166.65672	0.6
167.16373	0.6
179.14337	1.2
181.12289	3.2
209.04381	1.1
247.02504	3.4
247.20644	5.6
273.18594	1.9
291.01358	2.2
291.19659	100.0
292.19983	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01786	0.8
68.02413	1.5
76.01626	0.9
78.99678	0.8
98.20541	2.5
108.08503	0.8
132.43044	1.0
148.08853	1.1
151.11224	1.1
158.00276	1.0
163.11101	1.2
165.12767	19.5
166.13020	1.1
221.52263	0.9
247.20633	8.7
273.18506	4.3
291.19650	100.0
292.20013	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
56.73251	0.3
59.01239	1.2
60.34142	0.3
62.88100	0.3
68.02407	17.2
73.02818	61.9
74.03135	0.5
75.93465	0.3
75.93926	0.3
76.54864	0.3
79.53761	0.3
84.23428	0.3
89.23115	0.4
98.09518	0.3
119.04935	0.7
121.02819	0.8
126.99457	0.5
165.12753	0.8
191.03464	0.5
209.04419	0.6
247.02420	3.4
248.02948	0.5
267.00134	0.3
291.01398	0.6
291.19662	100.0
292.20029	8.4
293.04465	0.4
299.61441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16801	1.0
68.02407	3.0
70.91582	1.7
70.91911	0.8
76.22871	0.9
81.78423	0.8
96.74402	1.0
101.06504	0.9
127.11170	2.3
137.09615	5.4
153.09016	0.9
171.10172	100.0
172.10527	2.5
192.35320	1.0
263.20099	2.2
273.18509	1.2
291.19629	15.9
292.19940	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	291.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77230	0.2
59.01243	1.0
67.94004	0.2
68.02409	19.8
79.95609	2.6
80.96388	1.0
102.98708	0.2
105.06954	0.3
111.83713	0.2
112.93611	100.0
113.93549	0.7
119.04912	0.7
121.02823	1.0
123.08046	1.1
126.99437	0.5
209.04498	0.5
229.15298	0.3
234.24951	0.3
246.98802	0.3
247.02477	1.1
247.20641	0.2
262.73459	0.2
285.63025	0.3
290.97546	0.4
291.01331	0.8
291.04471	0.3
291.07443	1.1
291.19672	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	291.0513
Annotation	Yerrinquinone
Peak:m/z	Relative Intensity
57.06131	0.2
65.00165	0.3
68.02403	5.4
79.01773	0.3
83.01225	0.3
85.78754	0.2
91.01779	0.4
95.01247	0.4
112.93599	0.3
117.03365	0.2
119.01265	0.4
119.04906	0.8
121.02841	0.5
123.00719	0.5
131.01230	0.4
132.02028	0.5
135.00708	0.2
145.02852	2.2
146.04477	0.4
147.00789	0.6
148.01575	0.3
149.02353	0.3
161.02370	2.8
163.00407	0.3
163.03938	0.6
164.04639	0.5
166.02647	2.2
166.99713	0.3
173.02348	5.7
175.00232	0.5
175.03911	2.2
176.01056	0.8
177.01840	1.5
179.03419	1.1
186.03156	0.8
187.00241	0.3
187.03891	0.5
189.01863	1.2
190.02637	2.8
191.03423	19.4
192.03792	1.0
192.99730	0.4
193.01367	4.8
194.02124	6.9
195.02843	0.7
202.99701	0.8
203.03366	1.0
204.00475	1.2
205.01346	4.1
206.99219	0.3
207.02878	1.1
208.03757	1.2
214.02570	1.7
217.01392	2.7
218.02104	0.5
219.02930	4.0
220.03563	0.4
221.00874	4.5
230.99371	2.3
231.02904	2.8
232.00008	1.0
232.03665	2.2
235.02432	12.8
236.02850	0.4
245.00801	0.4
247.02441	15.2
248.03152	3.5
263.01947	0.4
273.00259	0.3
291.01648	8.1
291.05066	100.0
292.01804	0.7
292.05377	6.8
292.08609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0148
Annotation	5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
68.02407	24.6
69.79599	3.0
90.68114	0.5
90.72406	0.5
95.01235	0.5
95.09755	0.5
96.95860	1.0
98.20464	0.5
108.02062	1.2
119.01266	1.2
119.04877	0.9
126.41920	0.5
126.99427	0.9
131.01262	2.8
133.02794	0.7
141.38113	0.5
146.04523	0.8
147.00797	2.9
148.01584	3.5
159.00772	0.7
160.01492	0.9
175.00262	3.9
176.01085	7.4
177.01552	0.6
187.00275	1.0
190.99905	0.6
191.03415	1.2
192.00549	0.6
202.99794	6.3
204.00577	23.8
205.00957	1.2
219.02927	1.9
220.00063	0.9
230.99301	41.0
232.00047	13.1
235.02498	1.7
245.00807	0.8
246.98795	1.6
247.02434	4.0
247.99643	4.4
258.98825	2.9
263.01907	1.1
275.98792	0.7
277.77963	0.5
291.01462	100.0
291.19748	0.9
292.01840	6.7
292.08536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11985	0.2
56.76475	0.3
68.02399	1.0
69.05112	0.2
69.48585	0.2
69.71033	1.5
93.03358	0.3
102.05497	2.4
105.03338	0.5
107.04900	0.3
117.03345	0.8
119.04910	9.5
128.03430	3.8
131.04890	0.4
133.02811	0.4
134.69710	0.2
135.04387	0.7
145.02855	5.0
146.03357	0.5
146.04494	6.6
147.04399	3.0
159.04431	0.4
161.02333	0.5
163.03886	3.3
173.02344	3.6
174.03064	0.6
175.03935	2.8
176.01039	0.5
177.01880	0.4
185.02325	0.2
190.02643	3.2
191.03416	14.0
192.00632	0.3
192.03761	0.4
201.01900	0.6
202.08655	0.6
203.03476	1.2
205.01398	0.5
217.01360	0.3
218.02107	0.6
219.02922	6.4
246.01616	0.5
247.02438	100.0
248.02800	5.8
248.09157	0.4
274.07169	0.5
291.01453	5.9
291.05057	1.9
292.01752	0.3
292.08234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0146
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
54.46318	0.7
57.02757	0.7
61.77132	0.7
66.70571	0.8
68.02406	26.5
71.56222	1.2
78.95782	7.7
80.91189	0.8
84.86961	0.7
92.91259	0.7
110.98399	8.8
111.19008	0.8
114.93201	2.2
116.53577	0.7
116.54490	1.0
117.03333	2.2
119.04904	3.1
119.11131	0.7
121.02786	0.9
133.02852	1.2
135.04391	2.1
145.02899	6.6
147.04398	3.1
149.02354	1.5
157.02896	0.9
158.03687	0.9
161.02338	2.8
163.03893	3.4
173.02325	6.0
175.03915	3.1
177.01811	5.9
189.01785	3.8
190.02528	1.9
191.03429	8.1
195.67720	1.0
201.01910	5.4
203.03397	1.5
205.01364	4.2
207.02943	2.7
217.01376	15.4
218.01735	1.4
219.02957	8.9
223.02454	1.1
229.01384	3.8
235.02454	1.6
245.00874	22.1
246.01382	2.1
247.02455	12.4
263.01938	2.8
273.00446	10.1
274.00967	1.5
275.98831	0.8
291.01462	100.0
291.19785	0.9
292.01788	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	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01239	1.3
103.33443	0.4
111.62280	0.5
161.02376	0.5
165.94057	0.5
172.84740	0.4
188.45900	0.4
205.01328	0.6
227.67218	0.4
229.15971	4.1
246.45647	0.5
257.15421	9.0
261.00247	0.7
278.44815	0.4
288.99881	1.3
289.18082	100.0
290.18399	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	289.083
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
52.11929	0.7
54.75562	0.6
59.01247	1.4
69.42419	5.4
71.01250	12.0
75.72949	0.6
88.03913	100.0
89.04254	1.4
95.66789	0.6
96.99201	0.7
98.19769	0.7
114.01862	3.8
115.00258	20.5
130.06490	3.1
132.02919	71.2
133.03291	1.4
146.05989	7.2
150.34731	0.6
156.04471	9.0
173.07126	15.0
174.05533	16.6
174.07155	0.7
175.05766	0.8
177.01897	1.2
205.01312	0.7
215.56175	0.6
233.00934	1.5
245.00958	1.2
245.09241	8.9
246.09698	0.8
261.00281	1.3
271.07291	1.7
289.00021	3.4
289.08276	38.1
290.08636	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.66582	0.4
51.52293	0.4
52.41272	0.5
58.43476	0.6
59.01250	9.4
61.98704	0.6
67.10253	0.5
71.56500	0.7
71.68037	0.5
72.57558	0.5
81.03329	1.4
92.04937	0.7
93.03326	1.7
96.95863	0.5
108.02080	1.1
108.04430	5.9
109.02840	6.5
118.33215	0.6
119.08521	0.7
121.02834	0.6
124.01550	0.7
134.02374	35.7
135.03178	9.2
136.03938	38.2
137.02330	1.6
137.04286	0.6
149.04733	1.1
176.03464	4.2
177.01965	0.6
177.04234	0.5
184.97594	0.5
189.01915	0.5
202.98642	1.1
203.97307	0.5
205.01378	1.0
260.16541	0.7
261.00409	0.8
262.57974	0.4
288.16052	100.0
288.99738	0.8
289.16278	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	288.999
Annotation	6-bromoharmine
Peak:m/z	Relative Intensity
68.56466	0.7
69.80002	0.7
71.55608	0.7
79.95606	1.1
83.58154	0.7
88.03907	4.3
89.03848	2.0
95.04901	1.0
97.14454	0.8
105.03321	2.5
117.03354	2.6
118.88508	0.7
121.02835	1.0
132.02895	1.7
133.02850	5.2
145.02859	2.2
146.06053	0.8
149.02328	1.6
161.02362	11.5
163.00327	1.2
164.67938	0.7
165.01826	0.9
165.14310	0.7
173.02306	2.0
177.01851	34.9
178.02200	0.9
179.03496	1.1
189.01865	10.8
193.01312	1.5
205.01357	33.9
214.99800	1.2
217.01303	7.0
233.00876	24.3
234.01184	1.1
244.00078	0.9
245.00897	2.0
261.00381	36.1
262.00726	2.3
270.98862	0.8
273.00345	0.8
288.99896	100.0
290.00421	8.6
290.10562	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03320	1.3
59.01249	100.0
59.09507	0.5
60.01583	1.1
65.91780	0.5
68.70847	0.5
97.06464	0.7
99.04421	1.7
105.87590	0.5
151.00368	0.6
165.12755	2.0
167.10741	0.8
168.38872	0.6
175.00385	0.6
187.00285	1.2
203.03548	0.7
207.13931	2.6
209.11761	7.4
214.99797	1.3
216.00604	0.5
225.14880	4.0
227.12837	54.1
228.13220	3.4
230.99260	0.8
251.12923	1.2
258.98685	0.6
259.02539	0.7
269.13937	14.4
270.14035	0.5
286.98373	4.5
287.01974	2.4
287.15005	73.8
288.15320	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	287.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55088	2.0
71.55508	2.1
99.15360	1.4
124.77189	1.5
125.02312	1.9
131.03723	1.9
138.42012	1.3
140.15755	1.4
158.06013	1.5
173.03484	5.2
181.07706	1.5
183.05510	11.1
215.04556	36.7
216.04738	2.0
225.06557	1.5
243.07758	6.1
286.98355	2.3
287.06732	100.0
288.06958	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01248	1.2
60.28930	0.4
61.98681	0.6
70.00391	1.9
70.02843	1.2
74.05980	2.0
98.19862	0.6
115.62482	0.4
117.06985	1.3
118.05022	1.1
213.50798	0.4
240.23401	3.1
242.21298	1.0
242.24722	0.5
268.22794	1.1
286.23859	100.0
286.98254	1.7
287.16498	1.5
287.24225	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	285.0405
Annotation	Kaempferol
Peak:m/z	Relative Intensity
55.18810	0.4
59.01237	1.9
63.02262	1.1
65.00190	1.0
65.10120	0.4
70.70657	1.1
78.08262	0.4
83.01252	1.2
83.04900	0.7
89.71749	0.4
90.69160	0.4
91.54324	0.4
93.03341	2.9
107.01260	1.5
109.02829	1.4
113.45995	0.5
117.03342	0.9
121.02866	0.5
123.00774	0.5
123.04430	2.7
131.04947	0.4
133.02806	0.6
133.69121	0.4
135.00758	0.7
137.02257	0.6
137.09560	0.4
143.04918	1.4
145.02826	1.5
151.00203	1.3
152.91716	0.6
154.04175	1.0
157.02913	0.5
157.06503	0.6
159.04472	1.5
161.02391	0.8
163.00262	1.1
164.01079	0.5
165.01866	0.4
167.04974	0.9
169.01335	0.5
169.06303	0.6
171.04390	0.7
173.02347	0.6
183.04289	0.4
185.05969	2.2
187.03896	2.2
201.05402	0.5
202.98735	0.9
211.03885	1.6
211.13341	2.6
213.05540	0.7
214.02643	1.0
215.03430	0.4
227.03453	1.4
227.14227	0.5
229.04964	2.3
239.03468	1.6
241.05070	0.4
241.13452	0.8
243.02917	0.7
255.02898	0.8
257.04504	1.3
268.03796	0.8
284.26794	2.7
285.04031	100.0
285.20950	0.7
285.27179	1.1
286.04364	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0401
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.49054	0.5
59.01246	1.2
60.99027	0.5
63.02267	2.8
65.00184	1.9
70.14580	0.5
71.01257	1.0
76.31224	0.5
83.01265	3.1
87.00720	0.9
93.03329	3.3
95.01260	1.0
98.20555	1.2
102.28429	0.5
102.98457	0.8
104.98037	4.4
107.01273	5.2
109.02824	0.6
113.02345	0.6
117.03344	0.8
123.00784	0.6
123.04423	1.0
133.02855	0.8
134.20006	0.5
135.00783	0.8
143.04903	1.2
145.02835	1.9
151.00287	5.3
155.04909	0.7
156.05644	0.8
157.06538	0.7
159.04402	1.9
163.00258	2.2
164.01080	1.1
164.18800	0.6
165.01819	0.6
167.04883	0.9
169.01317	2.2
169.06487	1.3
171.04385	1.0
185.05998	2.9
187.03937	2.3
195.04379	0.9
197.06017	0.6
201.05566	1.0
211.03926	1.5
213.05495	2.0
214.02789	0.9
219.71710	0.6
227.03459	1.7
229.05017	3.5
229.16411	0.7
239.03419	1.5
240.04274	0.6
241.05098	1.0
256.03436	0.9
257.04587	4.4
267.02942	0.9
284.26755	2.2
285.04031	100.0
285.27133	0.8
286.04346	8.3
286.16605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.78869	0.2
59.01239	0.4
63.02263	1.2
65.00195	3.0
83.01253	1.5
93.03324	0.6
95.04902	0.3
105.03341	0.7
107.01265	4.9
108.01556	0.2
109.76121	0.2
115.01810	0.2
121.02844	1.5
123.04330	0.2
132.02074	0.6
133.02846	27.7
134.03181	1.1
143.04959	0.4
149.02341	3.5
150.02699	0.3
151.00275	8.8
151.01508	0.4
152.00566	0.3
159.04443	0.2
167.05042	0.3
169.01355	0.2
169.06520	0.3
171.04425	0.7
173.05954	0.3
174.03133	0.3
175.03934	6.0
176.04324	0.2
185.05984	0.7
187.03963	0.6
189.05417	0.5
197.06012	0.8
198.03142	0.9
199.03934	3.6
200.04152	0.3
201.01878	1.8
208.57393	0.2
213.05472	0.8
215.03436	0.7
217.05058	2.5
223.03952	0.5
226.02475	0.3
226.11047	0.6
227.60182	0.2
229.05029	1.3
234.66405	0.2
239.03445	0.5
240.04294	0.3
241.05107	1.6
241.13399	1.1
242.02203	0.2
243.03035	1.1
257.04593	1.0
267.02945	0.5
284.26782	0.5
285.04025	100.0
286.04373	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	284.223
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
51.20288	0.4
59.01245	1.9
72.04411	0.8
72.96584	0.4
72.99146	0.4
74.02339	100.0
75.02659	0.8
77.28220	0.4
78.95768	0.4
84.04414	1.0
86.71810	0.4
98.20552	0.9
116.10630	0.4
123.04383	1.0
133.94487	0.4
202.02724	1.1
202.98636	0.7
218.44327	0.4
240.23232	3.9
284.22342	41.3
284.26776	18.7
285.03860	2.0
285.22415	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11357	0.7
53.39556	0.8
55.88622	0.8
59.01250	100.0
69.52114	6.1
71.01254	1.0
74.02328	1.4
88.99744	0.7
96.64904	0.8
96.95891	0.8
122.53437	0.8
146.23775	0.8
155.06033	1.0
167.07658	0.9
190.51144	0.8
242.09456	1.0
283.15353	1.1
283.26428	21.0
284.26752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
58.00445	0.4
58.99473	20.8
59.01250	9.7
61.57938	0.5
69.22424	2.2
69.22847	3.5
71.01250	12.6
72.99159	1.0
73.02821	3.5
74.09164	0.5
74.98914	0.6
83.01251	1.4
85.02816	4.8
87.00742	11.0
89.02324	5.2
95.01282	0.8
96.03858	0.5
99.00714	1.0
101.02316	6.1
102.98472	100.0
103.98797	1.1
113.02302	4.3
119.03382	2.0
139.24551	0.5
143.03407	0.6
146.11711	0.5
147.64854	0.5
159.02866	0.7
161.04451	6.3
161.37396	0.6
179.05527	0.7
210.32486	0.6
211.07687	1.0
249.06204	5.3
255.03001	3.4
267.20758	0.5
283.02457	1.9
283.04974	17.7
283.10129	1.0
283.26401	30.9
284.03036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
67.93094	0.4
70.99351	1.0
71.21213	0.5
74.08064	0.4
113.17197	0.5
123.86633	0.4
145.14890	0.4
149.98283	0.4
173.83984	0.5
191.24174	0.5
237.20047	0.4
261.22250	1.0
264.24945	0.6
279.23273	100.0
280.23563	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	281.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36358	1.0
58.15073	1.1
59.01248	6.5
63.26760	1.0
65.00188	4.0
67.01765	1.0
69.48614	4.7
69.49021	2.3
71.01235	2.4
75.02271	1.5
77.00189	0.9
77.35183	1.1
83.01241	1.3
85.02800	1.5
89.00190	2.9
89.02313	1.1
90.22015	0.9
91.01763	1.0
93.03336	3.8
93.03927	0.8
96.95917	1.3
107.01270	23.6
121.02845	9.8
131.01288	1.2
133.02812	5.4
134.00011	2.6
137.02313	2.2
145.99973	7.4
147.00787	1.8
149.02373	1.5
149.99452	2.7
160.98701	10.0
161.02342	3.9
161.99432	1.9
165.00478	2.1
165.01843	39.5
166.02185	1.6
175.00285	5.3
177.01804	4.7
177.98987	1.9
188.98195	5.2
189.98973	4.7
193.01329	3.7
193.16278	0.9
205.01367	13.1
216.97745	19.3
217.98482	20.9
218.99237	5.5
221.00911	9.4
233.97977	2.6
234.98425	1.1
237.09190	1.4
249.00381	100.0
250.00783	5.9
252.99699	1.5
267.01443	33.1
276.03809	1.1
281.02768	6.1
281.10498	1.9
281.24866	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11907	0.6
69.95234	0.6
71.01252	17.6
115.00255	7.8
119.04914	53.4
120.05261	0.8
130.65680	0.7
133.01276	3.6
156.36652	0.7
163.03912	100.0
164.04237	3.2
253.12265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83123	0.7
57.51103	0.7
67.64794	0.8
71.01250	15.6
72.99177	2.8
77.94290	0.7
81.42232	0.7
89.02321	2.1
92.67970	1.0
93.03319	0.9
111.43766	0.7
115.00255	38.7
116.26530	0.8
119.04913	36.6
120.05228	2.1
125.24501	0.7
130.63242	0.7
133.01318	100.0
133.94958	0.8
134.01648	1.5
163.03915	36.1
164.04251	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	278.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23142	0.3
57.07010	0.4
57.73894	0.3
68.29257	0.4
68.61457	0.3
71.01254	3.9
71.05404	0.8
71.05757	0.5
72.00782	0.5
88.03912	22.6
93.03342	0.6
114.01858	4.0
115.00253	11.4
119.04911	13.7
120.05277	0.4
132.02916	100.0
133.03241	1.6
138.80423	0.3
145.02846	2.6
147.04469	0.7
147.08067	0.4
162.05505	0.9
163.03926	4.6
173.06020	0.4
190.08757	0.6
192.59592	0.3
216.06570	0.6
234.07660	1.4
237.18376	0.4
278.06696	6.6
279.07047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.91272	0.4
56.40197	0.4
59.01244	0.8
62.42854	0.4
71.32990	0.5
71.33365	0.7
106.12888	0.4
154.65390	0.4
187.02377	0.4
233.22667	0.5
277.21713	100.0
278.22064	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	278.0669
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
70.80905	0.9
70.81246	1.6
71.01248	13.1
72.36260	0.7
88.03918	3.1
93.03344	8.7
96.04396	0.8
114.01057	1.3
114.01855	23.3
115.00263	23.8
117.03385	2.0
119.04913	100.0
120.05260	3.2
121.06494	1.9
132.02919	21.5
136.30125	0.8
139.67180	0.7
145.02867	8.2
145.06499	1.1
146.06029	2.9
147.04401	5.6
149.65091	0.7
162.05519	29.0
162.06892	1.4
163.03914	29.2
164.04312	1.2
172.07593	1.8
175.03760	0.8
190.08607	4.1
193.01262	0.7
204.03664	0.8
214.05045	0.9
216.06621	7.9
232.03271	0.9
234.07722	5.4
250.04352	2.1
261.04077	1.1
274.04163	0.9
278.03830	6.8
278.06653	44.9
279.06815	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.72453	0.2
58.31287	0.2
59.01246	2.1
62.29821	0.2
69.28333	1.8
71.01250	0.4
79.09210	0.2
83.04920	0.3
127.07536	0.4
167.22810	0.2
194.92682	0.2
205.15968	0.2
233.15477	0.2
233.22728	0.4
259.20660	0.6
275.20206	0.5
277.21716	100.0
278.22067	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50514	0.2
59.01249	3.4
61.98697	0.1
70.59233	0.5
71.01248	0.6
83.04886	0.3
89.00197	0.2
97.61127	0.1
127.07535	0.4
146.08173	0.1
152.91679	0.5
154.21812	0.1
194.92746	0.7
194.95477	0.3
195.93472	0.2
205.15880	0.6
216.56763	0.2
233.18977	0.2
233.22736	0.6
259.20663	0.5
259.50052	0.1
275.20074	0.4
276.96310	0.2
277.18478	4.5
277.21704	100.0
278.22061	7.7
296.99121	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	277.1659
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01251	8.1
60.53065	0.6
67.24931	0.6
87.56284	0.6
89.00198	1.3
121.03176	5.6
146.99316	0.7
147.08350	5.4
149.00879	1.1
152.91666	1.3
155.31812	0.6
160.98676	0.7
165.00362	11.9
180.99915	1.7
188.97937	0.6
189.04050	1.8
191.05585	11.4
192.05650	0.6
194.92712	2.0
194.95518	1.1
204.97661	1.3
205.15871	1.7
207.05139	1.1
212.93852	0.8
218.13455	0.6
231.08719	1.8
233.10303	100.0
234.10434	9.0
259.15503	0.8
276.96262	0.8
277.03452	1.4
277.16483	85.2
277.21375	32.4
278.16681	9.7
278.22073	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	277.0353
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
57.73724	0.5
59.01244	0.9
65.97616	0.4
67.11801	0.4
70.90612	1.4
71.01232	0.6
89.00190	1.0
95.16274	0.5
101.02361	0.5
102.81635	0.6
104.85952	0.4
109.02843	0.6
119.04855	0.6
121.02840	1.4
132.02016	0.5
133.02859	0.7
147.00685	0.6
147.04410	4.6
149.02420	0.6
150.03151	0.6
152.91650	1.5
161.02328	4.9
162.03090	1.3
165.05492	4.4
166.02626	8.5
167.03134	0.5
173.02307	0.6
175.03899	1.0
177.01849	2.0
177.05418	2.4
188.98224	0.6
189.01857	8.5
190.02626	5.4
193.01361	7.6
193.04987	6.8
194.05362	0.9
194.92659	2.3
203.03442	12.1
204.03773	0.7
205.01390	3.2
205.05037	0.6
206.02110	1.4
217.01440	0.5
218.02173	2.2
221.00955	1.1
221.04504	3.5
231.02962	11.5
232.03372	1.3
248.03253	1.4
249.04019	39.1
250.04446	2.4
277.03531	100.0
277.08615	4.0
277.21777	4.1
278.03918	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	273.077
Annotation	Phloretin
Peak:m/z	Relative Intensity
54.10896	0.4
56.62154	0.5
59.01260	0.5
65.00197	0.5
65.84022	0.5
67.01747	0.7
69.03330	2.1
69.52583	3.5
72.99188	0.5
81.03329	1.0
83.01262	0.8
95.01266	0.6
97.02827	2.4
103.58912	0.5
107.01187	0.6
109.99993	0.7
111.00762	4.8
123.00806	1.9
124.01547	3.3
124.02341	0.5
125.02339	97.9
126.02682	2.9
127.00275	1.8
136.98714	2.2
139.00247	3.1
140.01077	7.0
168.00560	2.3
169.01343	90.1
170.01704	3.4
180.75603	0.5
188.40262	0.5
273.07681	100.0
273.17120	1.8
274.07980	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.13073	0.7
59.01280	0.7
61.65678	0.6
71.14115	1.4
79.15704	0.7
98.34205	0.7
109.02865	1.4
125.02332	0.7
197.19035	0.8
200.45332	0.7
208.45789	0.7
221.19078	1.2
223.20624	4.1
225.22182	70.2
226.22540	5.4
233.37363	0.7
253.21736	1.7
271.22766	100.0
272.23135	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	271.1451
Annotation	4-(3-Methylbut-2-enyl)-L-tryptophan
Peak:m/z	Relative Intensity
51.28433	0.7
56.79336	0.5
59.01244	1.1
62.97877	0.6
83.04897	1.2
92.50764	0.7
96.08061	1.3
97.01585	1.5
98.67645	0.6
108.02055	1.7
109.01571	0.6
109.02847	2.0
114.24628	0.7
120.08108	3.2
122.06001	1.0
124.07550	7.6
125.02354	1.9
134.05969	2.6
146.06018	11.8
148.07581	37.2
149.07910	1.5
150.05467	3.3
162.05511	35.3
163.05830	1.9
178.05013	7.5
180.06580	1.2
242.47000	0.7
270.82642	0.7
271.14502	100.0
271.22711	2.7
272.14850	7.4
282.81934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.02234	0.5
59.01249	0.6
63.02268	11.1
65.00195	21.5
71.56435	0.6
71.56870	0.6
81.03336	0.6
83.01258	13.0
86.09698	0.6
93.03336	16.3
96.95898	0.6
102.04710	0.5
107.01269	26.5
108.02100	0.9
109.02859	1.6
119.04919	79.9
120.05272	2.1
121.02847	1.1
125.02329	2.3
137.67291	0.5
143.04944	0.9
145.02870	1.3
147.58563	0.5
147.80847	0.5
151.00275	68.0
152.00607	2.2
161.06017	1.7
165.01877	3.7
169.01317	8.7
177.01852	11.1
185.06061	1.2
187.03912	2.8
205.79619	0.6
227.07072	1.4
229.04869	0.7
270.21521	0.9
271.06122	100.0
271.19427	1.0
271.22766	3.1
272.06500	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.40662	0.5
54.28819	0.5
55.60724	0.5
59.01244	0.8
63.02265	11.7
65.00195	20.5
68.99667	0.6
69.39307	3.2
69.39727	1.8
80.20659	0.6
81.03329	0.7
83.01258	14.7
84.53014	0.5
91.01727	0.6
93.03329	15.4
98.02228	0.5
98.20610	1.0
107.01267	30.4
109.02883	1.3
117.03342	0.6
119.04913	91.5
120.05235	3.1
121.02822	1.0
125.02359	2.4
133.02844	0.7
143.04883	0.6
145.02840	2.0
151.00273	69.9
152.00636	1.9
161.05952	1.6
165.01880	4.2
168.15840	0.6
169.01311	7.5
171.04364	0.7
177.01816	10.6
185.05945	1.2
187.03929	2.8
204.30478	0.5
216.67247	0.5
227.07059	1.4
241.04916	1.2
256.07285	1.2
270.98642	1.7
271.06110	100.0
271.22769	1.8
272.06439	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34235	0.8
56.54258	0.7
57.03310	2.6
59.01251	100.0
60.01596	0.9
71.01267	1.1
71.57026	1.1
78.95788	1.2
81.35213	0.9
90.97028	1.3
99.04407	4.9
109.06489	1.1
120.40831	0.9
121.06458	1.1
163.11252	1.3
164.23190	0.9
165.12762	9.9
181.12210	1.3
183.10170	2.5
186.95517	4.2
187.01180	1.1
189.12755	1.9
191.10619	1.0
207.13823	15.3
209.11763	19.2
210.12073	1.2
225.11328	1.1
225.14912	8.3
225.22331	1.2
251.12849	8.6
253.16193	0.8
265.57687	0.9
269.01028	8.0
269.03754	1.5
269.13940	62.8
269.17480	4.6
269.21231	17.0
269.24823	3.9
270.14273	3.6
270.21609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1294
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
51.91594	0.3
54.18639	0.3
56.40406	0.4
57.03328	0.4
57.67433	0.3
59.01249	1.2
59.79434	0.3
62.96281	1.2
66.63113	0.3
71.01231	0.6
71.12514	0.5
71.12875	0.4
84.95478	0.4
90.97007	0.9
91.46468	0.4
132.98093	0.8
166.90945	1.2
171.26295	0.4
184.92068	0.9
186.85526	1.0
186.95515	6.0
199.08768	0.6
208.92000	0.5
210.09160	1.7
211.08690	15.2
212.08981	1.3
225.10277	18.1
226.10849	3.3
226.93127	1.6
238.07385	0.4
239.08214	7.8
240.08597	0.7
253.09779	5.1
253.12257	0.5
254.10582	58.7
255.10930	4.4
269.12949	100.0
269.21207	9.0
269.24744	2.3
270.13260	7.5
270.21494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91977	0.3
55.68094	0.2
59.01254	0.4
62.16278	0.2
65.28711	0.3
70.33759	0.6
70.34124	0.5
79.95591	2.0
95.95105	0.6
96.95885	100.0
97.95817	0.5
98.20493	0.3
148.12056	0.2
250.53081	0.2
265.14761	77.9
266.15094	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	267.16
Annotation	Arteincultone
Peak:m/z	Relative Intensity
56.67822	0.6
59.01254	5.3
64.12983	0.6
65.01295	0.8
71.01245	2.7
71.04916	0.8
71.56905	0.9
73.02769	0.6
81.84602	0.7
83.04861	0.8
88.13426	0.6
89.02313	1.1
95.69398	0.6
101.02316	1.5
113.02303	1.2
113.05954	0.8
123.08030	1.1
124.03930	1.5
128.49181	0.6
135.00751	0.7
137.05980	0.9
137.09584	3.2
147.08044	1.6
149.09650	1.9
151.11221	1.0
153.09105	0.9
161.04459	0.7
163.11157	1.8
165.09125	0.8
167.10670	2.8
171.04272	0.6
177.12784	3.8
179.14291	1.5
193.15898	16.9
194.16216	0.9
195.17424	0.6
205.12199	0.8
205.15883	3.9
207.13803	2.6
221.15436	2.5
223.16954	6.1
224.04877	0.8
249.14807	3.0
252.04666	0.9
267.15994	100.0
268.16348	8.3
272.11725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0353
Annotation	Kynapcin 13
Peak:m/z	Relative Intensity
54.03203	0.8
59.01248	2.0
69.35423	1.9
69.35835	4.7
69.58351	0.8
73.97738	0.7
89.03825	1.8
93.03310	1.8
95.01269	1.2
95.04885	1.2
101.02333	1.1
105.03345	6.8
117.03325	2.6
119.01256	1.6
121.02843	5.4
123.00739	1.0
123.04399	4.0
131.01273	0.8
132.02057	1.0
133.02855	11.5
134.03304	0.8
143.36404	0.7
147.00832	1.2
149.02361	10.2
149.77039	0.7
151.03926	4.0
159.00761	0.9
160.01558	1.5
161.02362	33.3
161.03697	1.6
162.02747	2.2
163.00275	2.9
176.01053	2.7
177.01855	75.4
178.02309	3.5
189.01869	21.2
190.02563	2.8
190.99788	2.4
192.00554	2.8
193.01347	2.2
193.05058	1.4
205.01367	26.7
206.01935	4.7
213.88515	0.7
221.00862	2.5
233.00871	100.0
234.01204	4.9
237.04031	3.3
265.03528	87.2
266.03799	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.60292	0.6
59.01241	2.9
61.57837	0.5
70.08428	2.2
71.01238	1.4
83.85418	0.6
84.39130	0.7
112.48080	0.7
129.92850	0.6
150.52946	0.6
182.26398	0.7
219.21066	0.7
245.19020	1.0
261.18637	0.5
263.20132	100.0
264.20450	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	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
52.01495	1.6
55.25963	1.4
57.03329	4.3
58.66946	1.6
59.01243	6.0
63.19469	1.6
71.01259	8.9
71.04905	1.7
71.55495	2.3
73.02821	2.4
73.51740	1.6
79.95621	2.2
83.04897	6.3
85.02821	6.0
88.03909	1.8
97.02840	11.8
97.06469	2.4
101.02319	6.2
107.04873	4.6
108.05679	6.5
109.02830	9.4
109.06492	5.7
111.04396	14.3
111.08066	2.5
113.05988	8.1
114.01846	5.2
119.08573	5.1
120.05694	2.2
121.06478	4.5
122.03619	14.5
123.08025	6.3
125.05982	19.4
125.09619	1.8
134.05971	1.8
135.04419	1.7
135.08054	4.1
136.05208	19.4
137.05983	6.4
137.09529	2.0
138.06772	19.4
138.70781	1.8
139.07536	36.3
139.08524	3.1
147.04393	3.1
148.05231	11.9
149.05986	5.8
151.07552	78.8
152.04666	7.4
152.08348	46.7
153.09094	9.5
159.10507	1.8
159.11710	6.1
161.09647	6.1
162.03178	1.8
163.00218	2.7
163.03891	3.9
163.07570	19.7
163.11261	1.9
167.07047	4.6
170.05693	3.2
177.12791	2.4
185.09631	3.6
186.10359	1.8
188.08319	3.7
189.09126	9.1
191.03401	5.8
201.12790	34.8
202.12982	1.9
203.03369	2.8
203.10686	25.8
204.04124	4.5
204.11482	73.2
205.11914	3.6
206.03528	1.7
216.00554	4.4
219.02896	2.4
219.13838	100.0
220.14143	6.2
228.57208	1.9
231.02980	3.4
232.06107	2.5
235.02486	2.0
248.10678	2.5
262.98145	2.1
263.02243	10.0
263.05502	18.3
263.09833	3.7
263.12888	12.6
271.67465	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	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	9.3
59.01243	5.9
70.02849	9.7
71.55508	3.3
72.04409	6.3
74.02342	100.0
98.02354	27.3
108.02854	1.7
116.03415	43.6
117.01910	1.6
128.03439	6.6
131.03636	8.5
132.04454	35.4
133.02879	2.0
135.04433	2.2
144.04483	5.3
157.07622	5.5
158.05980	5.3
161.02373	4.1
161.03554	1.7
175.08742	5.4
176.03455	12.8
177.01836	5.9
189.01855	2.8
201.01910	1.7
201.06615	9.4
205.01324	5.4
219.07722	4.6
233.00795	3.4
261.00470	8.6
261.04285	8.4
261.08759	26.5
262.07016	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	263.0196
Annotation	Ancistroquinone E
Peak:m/z	Relative Intensity
59.01255	0.6
68.19453	0.5
69.75340	3.3
71.01270	0.6
76.38340	0.5
78.49354	0.6
83.65707	0.4
91.05427	1.7
93.03354	0.5
98.19878	1.0
101.02299	0.8
101.20940	0.5
101.73991	0.4
107.04903	12.1
108.01986	0.5
109.54440	0.4
116.50977	0.5
117.03353	2.4
119.01205	0.5
119.04914	7.1
122.63663	0.5
135.04427	12.5
137.05952	1.0
144.88695	0.5
145.02864	8.8
146.03531	0.7
147.00790	0.8
147.04402	4.4
148.01543	1.0
153.05486	10.7
154.05733	0.5
161.02347	1.3
162.03090	1.2
163.00240	0.9
163.03918	7.8
171.26109	0.5
173.02356	4.6
174.03024	0.7
175.00266	0.7
175.03870	0.6
176.01015	4.0
177.01770	0.7
189.01880	0.8
190.02634	9.9
191.03427	76.1
192.03772	3.6
201.01790	0.8
214.69650	0.5
219.02930	22.3
220.03334	1.0
223.05502	0.5
232.00116	0.5
235.02353	1.5
263.01953	100.0
264.02319	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70763	2.4
69.81808	2.4
71.56995	4.6
78.95788	3.1
83.04894	6.4
84.02036	3.2
90.90663	2.2
95.63436	2.4
96.96850	3.2
98.02338	8.4
148.05092	2.9
154.25421	2.7
163.11174	4.1
197.64038	2.4
200.05804	2.5
209.11772	100.0
210.12073	8.3
227.12817	10.2
259.02191	3.2
259.11594	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	259.0222
Annotation	alpha-D-galactose 6-phosphate
Peak:m/z	Relative Intensity
52.00439	0.2
59.01240	0.8
63.51116	0.2
70.68980	0.6
70.69350	0.6
71.01246	1.4
72.99174	1.1
78.95773	73.3
87.00749	0.6
96.96836	100.0
101.02326	1.3
103.00259	0.4
115.00288	0.5
138.96858	0.2
138.97910	5.8
147.43848	0.3
148.81221	0.3
168.98964	2.7
191.05547	0.3
199.00093	2.4
216.90564	0.4
241.01212	1.1
258.92599	0.4
259.02249	12.3
260.04358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.061
Annotation	Khellin
Peak:m/z	Relative Intensity
54.64926	0.4
55.01743	0.6
57.18252	0.4
65.00201	2.0
67.01757	1.5
67.16230	0.4
68.07951	0.4
68.99688	0.8
69.04835	0.4
69.29917	4.4
71.01252	1.9
72.99168	2.3
78.01007	0.4
82.00481	1.0
83.01266	2.1
84.99197	0.5
87.00757	0.9
95.01241	0.8
96.99200	0.7
98.19829	0.8
99.00768	0.6
106.00464	1.1
109.99956	3.0
111.00760	18.1
112.98619	0.5
123.00748	0.8
124.01537	9.8
124.98672	0.6
127.00266	6.8
136.98692	13.5
139.00266	18.4
140.01048	29.0
141.01395	0.8
154.99725	2.1
165.12711	0.3
168.00543	41.2
169.00856	1.4
179.27919	0.4
185.11777	1.2
215.07103	0.9
238.33824	0.4
249.03093	0.5
259.06082	100.0
260.06470	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	257.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67185	0.7
58.02846	53.8
59.01226	0.9
60.70793	0.7
70.02857	0.9
70.14146	3.0
74.02337	3.4
82.02857	3.0
84.04427	11.8
86.02339	0.8
126.05491	1.0
128.03433	10.8
128.10706	7.2
136.07532	1.6
141.10236	1.3
144.74133	0.8
150.96791	0.7
154.12277	4.9
167.11801	1.2
169.13377	1.9
170.72705	0.9
171.14937	32.1
172.15320	1.3
197.12874	58.2
198.13139	2.6
207.89690	0.8
213.16028	13.5
214.16411	1.2
215.13945	51.8
216.14268	2.7
257.00983	0.9
257.15045	100.0
258.15399	7.2
277.67514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	47.4
59.01245	0.9
69.66503	0.8
71.19976	2.0
73.02831	0.9
74.02341	3.4
82.02840	2.1
84.04423	10.1
87.23388	1.0
128.03423	7.1
128.10719	5.0
141.10222	1.4
142.12262	1.2
154.12270	5.5
167.11731	2.0
169.13364	1.7
171.14941	27.7
172.15262	1.4
197.12885	53.8
198.13226	1.8
213.16048	15.0
215.13954	46.8
216.14340	2.2
257.15042	100.0
257.23849	1.9
258.15472	6.1
258.46375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70428	0.5
55.01757	1.4
59.01249	100.0
60.01587	0.9
70.05053	1.7
95.04931	0.8
111.60312	0.4
139.11195	0.5
163.11227	0.9
181.12267	0.6
225.11314	1.5
257.04639	0.8
257.13925	24.1
257.23923	1.2
258.14343	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81488	1.3
57.03320	4.7
57.20957	1.3
59.01249	24.5
73.02815	96.6
74.42646	1.2
75.16859	1.5
77.99868	1.5
80.02539	2.0
81.03323	4.8
83.04897	3.0
87.04358	1.8
93.06918	1.3
95.04904	23.0
96.02662	1.3
107.04863	2.2
107.08533	2.3
109.06464	3.1
109.68449	1.4
113.06000	2.2
117.94869	1.5
121.06461	3.6
133.06490	1.4
137.09651	1.8
139.11180	84.2
140.11508	3.6
145.10130	2.3
161.09637	2.1
163.11191	85.2
164.11519	4.3
181.12262	47.3
181.13876	1.5
182.12549	1.5
183.10182	100.0
184.10532	4.8
195.13840	8.8
207.10196	45.0
207.12181	2.3
208.10500	3.5
225.11279	78.0
226.11623	6.3
228.08981	1.4
236.59457	1.8
239.12839	32.8
239.23657	1.4
240.13266	1.8
241.04889	2.5
242.05798	1.5
245.97141	1.6
257.02594	1.7
257.13925	19.9
257.17529	2.6
257.23914	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	256.1916
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
51.56058	0.2
56.35339	0.2
58.72622	0.2
60.64653	0.2
61.28622	0.2
71.20211	0.4
72.04431	0.5
74.02343	100.0
75.02663	1.0
84.04419	0.9
105.27527	0.2
108.12533	0.2
116.92722	0.2
120.35442	0.2
161.51169	0.2
210.18602	0.4
212.20139	3.9
219.84497	2.2
245.62981	0.2
256.19162	38.2
256.23193	4.8
257.19501	3.6
257.23770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79829	4.2
59.01234	13.5
65.00188	11.8
65.99703	10.1
68.99696	4.9
69.86870	24.5
71.01241	16.2
72.01619	4.8
72.99178	24.1
80.01285	5.0
87.00756	29.4
90.88699	4.6
95.01258	11.5
96.00751	6.7
97.02814	23.3
98.02356	12.3
99.00766	16.4
103.00278	4.7
109.02821	9.5
110.02345	14.0
111.00764	38.8
112.98676	8.9
115.00247	25.1
118.02871	8.8
122.02348	6.6
123.00767	16.5
123.69237	4.5
124.03935	13.4
124.98690	14.9
125.02318	16.2
134.02344	16.6
136.00285	6.0
138.01849	7.6
139.00258	17.0
140.03401	6.5
142.99768	23.8
145.01344	7.1
150.01910	16.0
152.03432	15.2
153.01840	99.7
154.26677	4.8
155.03389	10.5
162.01909	11.8
165.78883	4.4
166.99854	4.8
167.03407	20.2
168.02910	15.4
169.01344	8.9
171.02852	15.3
176.03444	5.5
178.01376	13.0
180.02956	43.2
181.01338	9.9
182.04491	6.9
183.02942	17.2
194.04533	22.5
196.02408	11.2
197.00816	9.2
206.00923	10.2
210.03984	9.0
224.02007	5.9
225.00575	4.5
238.03497	12.9
241.74370	5.6
255.23276	44.5
256.02066	7.2
256.04608	100.0
256.07315	6.8
256.23608	70.1
257.04825	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	252.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
70.96368	0.5
71.01247	1.2
79.95606	100.0
80.95594	0.4
80.96380	1.2
83.01243	0.2
89.02320	0.8
96.95928	0.3
97.46488	0.2
99.02089	0.2
101.02337	0.8
106.03970	0.3
117.01948	0.2
126.12756	0.6
138.38924	0.2
160.11636	0.4
161.04524	0.5
188.11081	8.5
189.11421	0.5
252.07310	37.2
253.07198	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	252.0732
Annotation	Neopterin
Peak:m/z	Relative Intensity
50.84761	0.2
59.01259	1.1
65.93549	0.2
71.43298	0.4
79.95605	100.0
80.86466	0.3
80.95555	0.4
80.96407	0.8
101.02317	0.4
126.12788	0.6
130.69234	0.2
160.11572	0.4
188.11072	8.0
207.98944	0.6
252.07301	35.4
253.07413	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01246	3.9
64.25153	0.5
65.00191	0.5
71.01235	0.6
87.51323	0.6
89.23489	0.6
90.92892	0.5
106.35390	0.5
115.15968	0.5
193.48912	0.6
205.15964	3.9
205.19498	1.6
231.17511	0.9
249.14966	5.9
249.18564	100.0
250.14487	18.3
250.18755	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12684	0.7
52.80074	0.7
56.73892	0.8
59.01244	1.4
68.27949	0.7
70.02847	1.0
71.01258	7.3
78.57607	0.8
79.95596	2.0
88.03912	74.4
89.04247	1.5
90.00679	0.7
91.05417	1.1
98.86828	0.7
106.61522	1.0
114.01860	4.1
115.00258	13.2
117.03358	1.0
132.02919	100.0
133.03246	2.0
135.04430	3.9
135.06598	0.9
144.04454	0.9
145.04822	0.9
146.50957	0.8
191.05342	1.8
206.08153	2.0
229.85188	1.0
250.07127	15.6
250.14391	5.1
251.07516	2.0
265.46902	0.8
270.82809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	6.1
70.16471	4.3
70.22202	0.8
74.80614	0.8
92.04928	4.9
98.20435	1.1
110.08302	1.0
114.27119	0.9
116.04927	3.6
118.06510	17.1
119.06831	0.9
128.04951	14.1
129.05197	1.0
129.53970	0.8
130.43700	0.9
131.03656	13.8
132.03969	1.0
144.04451	100.0
145.04788	5.5
146.06017	41.7
147.06331	1.7
172.03940	9.0
173.04317	0.9
190.05013	62.4
191.05287	3.9
249.08788	1.7
250.14421	1.1
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	Sch 601254
Peak:m/z	Relative Intensity
52.21520	1.1
59.01247	13.5
67.01736	1.4
69.03327	41.4
71.01227	1.4
71.04898	1.7
71.56924	2.0
80.96385	1.4
83.04898	2.5
93.03269	1.2
95.01305	1.4
95.04883	3.5
97.06460	1.8
106.04154	1.5
107.04893	1.2
111.00770	1.8
111.08044	3.3
119.04922	1.2
121.06496	1.5
133.93358	1.2
134.07156	1.3
149.02310	2.5
149.13289	2.5
161.13316	2.0
165.95587	1.9
167.10651	2.8
168.88953	1.7
171.10107	1.9
179.10649	1.5
187.14828	6.0
193.12282	9.4
205.12277	9.6
205.15906	14.7
207.96762	2.5
221.00897	1.5
221.15421	18.3
231.13869	32.1
232.14252	4.6
248.57860	1.7
249.00464	1.7
249.07721	2.9
249.14932	100.0
250.14891	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	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
63.02268	0.7
65.00191	0.8
68.99683	0.6
71.06156	0.5
75.02268	1.8
78.59611	0.3
79.01761	0.4
91.01767	12.8
92.02045	0.4
93.03344	0.9
95.01254	0.7
103.01728	0.5
119.01272	13.4
120.01611	0.7
121.02838	1.5
131.01303	1.0
144.19983	0.2
147.00778	32.5
148.01109	1.9
165.01802	1.0
175.00288	16.5
176.00624	1.0
186.95595	0.7
190.99817	1.4
191.85789	0.3
202.99791	66.7
204.00110	4.1
246.98807	100.0
247.99141	7.2
260.95813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01247	0.1
72.21046	0.1
77.68884	0.1
80.06776	0.1
89.02303	0.2
92.70306	0.1
121.02856	0.1
124.26370	0.1
176.99321	0.1
179.07050	0.2
184.00084	0.5
202.99901	0.1
205.16057	0.2
220.16997	1.3
229.55093	0.1
231.13922	0.6
247.02541	0.9
247.17000	100.0
248.07939	0.4
248.17336	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	246.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28229	0.4
58.55534	0.4
59.01244	1.5
64.88220	0.4
65.00195	1.2
71.57186	0.5
75.02264	2.0
78.45839	0.4
79.01767	0.4
84.36672	0.4
89.02354	0.7
91.01765	12.0
93.03340	1.1
95.01295	0.5
103.01779	0.8
114.92155	0.3
119.01270	13.2
121.02850	2.1
131.01270	0.4
132.98015	0.3
137.02316	0.4
147.00783	31.6
148.01122	1.5
163.00439	0.4
165.01903	1.0
175.00310	15.0
176.00713	0.8
186.95523	1.6
188.16537	0.4
190.99809	2.2
195.29027	0.3
202.99792	60.9
203.10695	0.6
204.00166	3.8
214.54189	0.4
218.99324	0.6
246.98810	100.0
247.13206	0.7
247.99142	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19038	1.5
55.55462	1.3
57.12963	1.4
66.03362	1.6
70.00575	3.1
70.00977	4.9
81.90041	1.4
82.02861	2.1
88.49305	1.5
99.92470	1.8
110.02325	8.1
111.00762	2.5
123.11685	1.4
140.03418	2.2
183.13835	8.7
193.12228	3.1
200.05646	2.8
211.13330	100.0
212.13612	7.8
225.11285	2.4
243.06406	4.0
243.12323	4.7
243.15953	5.0
243.19656	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	245.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82143	0.6
57.26379	0.5
58.02847	23.4
64.09447	0.5
70.02850	16.7
70.51157	0.5
72.00771	5.6
72.04417	3.4
74.02345	100.0
74.40277	0.5
75.02673	1.2
81.77306	0.5
87.20071	0.5
89.03832	0.7
89.84149	0.6
91.56037	0.5
98.02351	23.3
105.03331	0.7
116.03428	33.6
116.04940	36.0
117.03391	2.3
117.05282	1.9
130.06525	4.5
131.80028	0.6
133.02846	1.9
142.06541	8.2
143.06845	0.7
145.02832	3.8
151.04042	0.5
157.01355	0.6
159.09145	7.3
160.02458	1.0
161.02368	3.7
163.03949	0.9
173.02457	3.2
183.09233	2.0
186.05528	1.9
189.01871	5.5
201.01892	2.1
201.10284	9.5
203.08194	94.4
204.08514	6.6
217.01366	3.6
226.99913	0.8
228.00633	0.8
245.00902	20.3
245.09286	80.3
246.01329	2.1
246.09612	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	245.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	25.4
64.55585	0.8
66.92600	0.8
70.02847	16.5
71.43443	2.0
72.00771	4.3
72.04423	4.5
72.88357	0.8
74.02343	100.0
75.02702	1.1
91.34962	0.8
98.02353	25.6
104.45774	0.8
116.03432	23.1
116.04942	32.8
117.05289	1.3
119.85741	0.8
127.02773	0.8
130.06471	3.9
142.06534	9.7
142.10252	0.9
156.08113	0.8
159.09175	7.5
160.09528	0.9
161.02344	0.8
183.09213	2.3
186.05530	2.3
195.14902	0.9
201.10239	6.3
203.08195	70.2
204.08534	4.5
206.89540	0.9
228.97856	0.8
236.76505	0.8
245.09273	51.2
246.09628	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03308	3.0
59.01251	69.9
60.01577	0.9
70.91401	0.9
70.91734	1.1
73.02819	4.7
83.04862	0.7
88.44910	0.6
97.02802	1.0
97.83039	0.6
99.00748	2.6
102.15246	0.7
110.02323	0.6
119.76176	0.7
125.09616	1.0
129.05450	1.0
135.08052	0.7
137.09613	1.7
139.11186	42.5
140.11557	1.0
155.10677	0.9
163.11177	2.0
165.09109	2.3
181.12271	26.9
182.12621	1.9
183.10184	54.6
184.10526	4.0
197.11696	0.8
199.13332	27.7
200.13654	0.9
207.10222	5.8
225.11282	25.9
226.11606	1.8
243.12346	100.0
244.12677	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01740	0.5
55.62836	0.5
57.03308	1.2
57.17392	0.5
59.01232	1.1
70.96383	1.4
70.96712	0.7
71.01228	1.0
71.04890	4.5
73.02813	2.6
79.95607	0.8
83.04886	2.0
97.02832	7.9
97.06466	1.9
99.00757	25.7
106.04061	0.9
109.06463	2.3
110.03592	2.5
120.18015	0.6
123.08042	0.9
125.09603	7.5
127.11201	0.9
135.08032	2.2
136.05156	1.5
141.71196	0.6
142.02591	2.0
153.12770	1.0
155.14313	2.6
161.09525	0.9
163.11197	9.7
164.11578	1.0
179.10736	0.7
181.12267	27.9
182.12556	1.6
197.11766	1.4
197.43672	0.8
199.13335	20.6
200.13644	1.1
207.10197	48.1
208.10536	4.6
225.11275	100.0
226.11620	8.1
243.12352	97.4
243.15903	7.2
244.12700	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73122	0.4
52.09503	0.5
54.78352	0.5
56.61739	0.5
57.03315	3.5
59.01249	98.8
60.01580	0.9
69.84259	3.2
71.15205	0.5
71.31527	0.6
73.02814	5.2
79.95657	0.6
95.04890	1.1
98.19874	0.8
99.04383	1.2
110.02342	0.6
110.05319	0.5
129.05478	1.7
137.09605	1.9
139.11182	51.0
140.11533	2.0
160.43823	0.5
163.11157	1.6
165.09125	3.4
181.12257	33.3
182.12601	2.0
183.10182	72.9
184.10493	3.9
197.15315	0.6
199.13336	25.6
200.13618	1.6
201.07715	0.6
207.10355	0.7
214.64877	0.5
225.11256	19.3
226.11613	1.4
243.12337	100.0
244.12709	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	243.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.6
58.61410	0.8
59.01247	83.7
71.01273	1.0
72.55315	0.8
73.02822	7.5
85.84177	0.7
88.03918	1.2
95.04890	1.5
98.20522	2.9
109.02824	1.7
118.30612	0.7
129.05452	1.7
136.01569	0.9
137.09538	1.5
139.11179	46.4
140.11496	1.3
155.10667	1.0
163.11200	1.3
165.09074	2.7
171.10165	1.1
181.12256	28.8
182.12585	2.4
183.10178	72.3
184.10490	4.0
199.13306	24.6
199.15067	1.6
200.13655	1.6
207.10164	1.0
225.11253	18.8
226.11563	1.4
243.02849	2.3
243.12332	100.0
244.12682	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	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03322	5.0
57.82536	0.6
59.01249	100.0
60.01597	1.6
65.01326	1.0
65.99716	0.5
67.05386	1.1
69.64821	3.4
71.04893	1.4
73.02827	0.8
83.04877	1.2
87.00763	1.3
97.06485	0.7
99.00806	0.6
99.04381	3.6
106.04016	0.8
115.22163	0.6
119.08565	3.0
133.10098	0.6
135.08081	0.7
135.11682	0.9
137.09619	6.7
144.04372	0.6
161.09657	1.2
163.07518	1.2
169.12288	0.8
179.10667	4.5
181.08629	20.2
182.08983	1.5
187.06459	0.7
197.11769	34.7
198.12158	2.6
223.09784	2.0
241.08571	0.6
241.10776	14.3
241.14465	1.0
241.18109	1.2
241.21730	1.8
242.11156	1.7
242.17204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.96871	0.6
57.03326	1.5
59.01253	1.5
65.01307	1.1
69.03320	3.1
71.01253	1.2
71.04887	6.9
73.02810	0.8
81.57926	0.6
83.04900	1.4
87.00755	0.7
96.60831	0.5
97.06461	0.7
123.08067	1.1
125.09605	2.2
126.88670	0.6
144.05663	0.8
151.11229	1.2
153.12764	3.4
161.09604	1.8
179.10698	8.5
180.11108	0.9
197.11758	100.0
198.12103	7.2
214.07358	0.8
223.09686	4.6
223.42328	0.6
241.10767	72.1
241.21693	1.6
242.11105	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	240.0508
Annotation	N-(2,3-Dihydroxybenzoyl)-L-serine
Peak:m/z	Relative Intensity
51.58760	2.4
55.01723	3.0
59.01250	5.6
65.99716	9.7
68.01287	15.7
68.57003	2.3
68.99689	4.5
69.03330	6.4
70.64134	3.3
70.64469	4.9
71.01250	21.8
72.99183	6.1
73.02831	4.0
75.00748	4.2
76.78894	2.6
80.04900	4.5
81.03326	5.3
83.01271	12.9
85.02826	2.6
87.00752	65.6
90.03336	2.3
91.80390	2.4
92.22746	2.2
93.03333	4.2
95.01266	17.8
96.00774	11.4
97.02820	8.8
98.02345	6.9
99.00747	5.9
109.02840	18.4
110.02354	6.6
111.00768	54.6
112.03942	3.0
115.00223	4.7
118.02899	13.7
122.02355	9.0
123.00740	16.4
123.04407	3.0
124.01564	5.6
124.03914	5.3
125.02328	44.0
127.00278	16.3
134.02391	13.2
135.00795	4.2
136.00346	5.3
136.03894	12.5
136.25743	2.3
137.02332	44.2
139.00262	7.3
139.03906	3.2
140.00978	3.6
140.03439	8.2
141.01852	6.0
146.02399	7.2
149.00995	2.6
150.01814	3.3
151.03915	6.2
152.03432	100.0
153.01866	27.5
153.03764	5.2
155.03445	18.1
162.01874	5.4
164.03450	23.5
165.01862	2.7
165.26196	2.1
166.01292	3.6
166.99776	8.0
167.03381	11.2
169.01270	4.0
178.01308	3.1
180.02942	41.2
181.01328	7.6
182.02119	26.6
183.02896	46.2
189.92284	2.5
190.01439	6.5
191.04272	2.9
194.04494	3.9
195.02940	12.7
197.04500	14.9
198.04126	2.4
199.02472	4.2
208.02435	26.2
210.03987	6.3
212.05556	4.2
222.04025	5.6
240.05089	64.3
241.03412	3.8
241.05504	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	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74234	0.3
57.03296	0.4
59.01247	10.8
59.96597	0.3
64.91685	0.3
69.42075	1.1
69.42505	1.3
70.46661	0.2
71.01254	0.4
74.98943	8.0
75.96078	0.4
75.98885	0.5
85.02812	0.4
87.00751	1.8
91.02083	10.6
92.02056	0.3
93.00008	8.4
95.01225	0.3
96.95885	1.0
99.00734	0.4
100.84391	0.3
117.01844	0.4
119.17657	0.3
125.02341	0.4
125.20227	0.2
149.00854	5.8
159.02878	0.3
161.04446	1.8
178.19411	0.3
179.05539	8.9
195.13930	0.7
206.99655	3.0
223.02779	100.0
224.02826	12.6
225.00661	0.4
239.05992	1.0
239.12938	0.6
239.16492	1.4
241.03810	3.3
256.04691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0765
Annotation	Sinapic acid methyl ester
Peak:m/z	Relative Intensity
52.60773	0.2
59.01233	1.1
65.00195	1.1
68.02419	0.4
71.08720	0.6
71.83285	0.2
75.63687	0.2
78.28900	0.2
80.82197	0.2
81.03365	0.3
85.72742	0.2
91.01774	0.5
91.05452	0.3
93.03372	0.4
93.45523	0.2
107.04919	0.9
119.01279	2.7
121.02867	0.7
123.04401	0.4
128.20874	0.2
135.04385	0.3
136.01587	0.3
137.02386	0.4
147.00781	12.3
148.01231	0.5
149.02368	1.2
149.92558	0.2
151.03903	2.5
153.05464	0.3
163.03903	0.3
164.01062	1.6
165.01837	0.7
175.00290	0.8
179.03419	37.0
180.03754	2.6
180.07660	0.2
193.05020	0.8
201.95992	0.2
207.02924	100.0
208.03250	6.9
221.04431	1.4
222.05283	77.9
223.05627	6.7
237.07632	31.3
238.07993	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	237.061
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03331	1.3
59.01247	2.7
70.88968	1.8
70.89305	1.1
71.01241	3.6
73.02812	1.6
74.98982	1.3
75.00749	2.4
77.14013	0.9
85.02807	3.1
87.00748	100.0
88.01086	2.8
89.02279	0.8
89.67392	0.9
101.02283	1.5
120.99487	1.0
129.01836	15.2
136.57454	1.0
147.46696	0.9
161.04419	1.1
179.05600	1.6
182.03590	0.8
191.99663	0.9
193.01154	1.2
237.04031	1.6
237.06093	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	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67476	0.2
52.10085	0.2
57.03336	0.3
59.01246	2.1
61.98707	0.7
63.05366	0.2
63.94334	1.0
68.02411	0.2
69.87000	1.1
72.73814	0.2
78.95795	0.2
105.86172	0.2
134.03635	0.8
134.31351	0.2
135.04494	0.3
136.05212	0.7
143.90628	0.2
148.05209	10.2
149.05620	0.6
149.09589	1.5
162.06789	0.4
175.07533	0.3
176.08376	0.7
177.09134	45.2
178.09485	3.4
179.10713	0.3
190.09952	2.1
191.10658	0.9
192.11490	34.1
193.11874	3.2
201.09161	0.9
203.07080	1.1
206.09331	0.3
217.08633	3.7
218.09425	9.0
219.09787	0.7
236.10500	100.0
237.10875	8.9
237.14801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1495
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01249	8.5
60.01574	0.7
61.98096	0.4
68.02400	0.7
69.31010	1.2
69.31431	2.4
71.01252	0.5
107.56963	0.4
126.62778	0.4
179.06960	0.5
207.13768	1.0
207.95163	0.5
218.11865	2.0
219.12454	0.4
234.14941	100.0
235.13153	0.5
235.15256	8.5
251.11595	3.4
252.12170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89251	0.4
57.48131	0.5
59.01240	0.9
63.77165	0.4
63.96110	100.0
64.96064	0.8
69.03326	0.5
71.09708	1.0
79.95606	34.8
82.64853	0.4
85.47958	0.5
95.49388	0.5
116.05279	35.5
117.05662	1.2
126.12768	3.6
126.76923	0.5
131.35744	0.4
154.12065	0.5
160.11638	0.8
170.11794	0.9
172.13344	4.5
188.11073	21.9
189.11314	1.4
218.28981	0.5
222.46916	0.4
236.09567	24.2
237.09808	1.1
237.14871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	40.3
60.12535	3.0
69.80017	17.2
71.01251	15.3
73.02859	3.9
82.84758	2.8
85.02849	2.8
87.00742	6.1
93.03352	5.4
95.07227	3.8
98.20435	5.1
99.00727	4.1
103.91900	5.2
104.03409	8.4
104.92688	5.3
111.00758	6.5
123.94576	3.4
129.01805	6.1
157.98451	2.8
160.91692	8.3
161.91682	3.2
173.04454	8.6
233.00803	5.7
233.15411	100.0
234.09753	7.4
234.15787	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	55.7
59.48567	0.3
60.01585	1.1
60.97362	0.4
70.33056	0.3
70.86472	0.9
74.98945	5.4
75.00748	1.6
75.96098	0.8
91.02079	1.3
93.00005	5.3
93.03353	1.3
118.96174	0.8
134.99289	7.3
136.97214	3.2
141.07314	0.5
149.00864	73.0
150.00822	5.1
150.98808	0.9
152.96750	0.5
159.08348	2.3
161.06302	5.0
167.01958	0.7
173.04512	0.6
188.98517	4.1
190.98665	0.8
215.05542	1.4
217.07159	100.0
218.07300	10.5
232.97482	2.7
233.10298	89.9
233.15279	9.6
234.10431	10.7
234.15706	1.0
235.08247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96622	0.3
57.19893	0.3
59.01249	100.0
59.25314	0.3
60.01581	1.3
69.31465	0.3
71.43092	0.4
75.00735	3.0
76.44553	0.3
83.02415	0.3
93.03339	0.9
93.79610	0.3
103.91936	0.3
106.04011	0.7
129.24210	0.3
132.27985	0.3
137.38893	0.3
142.47502	0.2
144.99503	0.8
145.00797	1.7
148.97617	0.4
152.91649	0.3
172.88008	0.5
172.97618	0.7
173.04478	0.7
188.98456	10.1
189.98769	0.4
190.98688	1.9
232.97409	4.5
233.15407	6.7
234.15691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.3
65.01305	1.1
66.10003	1.2
69.03345	1.5
71.57035	1.8
76.67744	1.1
83.04886	1.2
83.75407	1.2
88.46783	1.0
92.07861	1.1
95.03674	1.2
99.92461	1.9
111.00751	1.3
139.11209	1.7
151.11166	2.0
165.12776	3.1
166.13292	1.2
181.15910	29.1
182.16243	3.3
183.13824	12.7
199.13307	5.1
201.07664	1.8
208.93433	1.6
209.11774	19.5
209.15244	1.2
210.12140	1.7
212.00607	1.3
227.03177	5.2
227.07137	2.1
227.13065	17.4
227.16476	100.0
227.19870	14.4
228.16876	8.9
228.20421	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.01751	0.5
65.22447	0.3
71.01238	0.4
71.04896	1.0
71.17601	0.3
80.02535	2.1
80.85115	0.4
81.03331	2.6
83.04897	8.8
84.02036	4.2
93.03328	0.4
95.04890	1.2
97.06455	0.6
103.87276	0.4
109.06459	0.6
125.05939	0.6
125.09614	0.5
135.08041	1.0
156.10506	0.4
163.11192	7.6
164.11572	0.6
165.12753	4.7
181.12239	1.2
191.10693	1.5
199.13358	0.9
209.11771	100.0
210.12102	8.9
210.13953	0.6
227.12790	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	227.1648
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
59.01245	0.3
67.01758	0.2
71.12125	0.4
71.12440	0.4
83.04881	0.5
88.48540	0.2
111.00771	0.3
119.33995	0.2
121.87323	0.2
132.02103	0.2
134.26254	0.3
137.48268	0.3
139.11208	0.3
165.12741	0.6
179.14336	0.3
181.15894	9.4
182.16222	0.6
183.13823	7.8
183.15044	0.2
184.14130	0.7
199.13313	0.6
209.11757	4.1
209.15358	0.5
210.11987	0.4
227.12820	5.3
227.16466	100.0
227.20149	2.5
228.13182	0.4
228.16830	10.8
241.84732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
70.92187	0.4
70.92514	0.6
71.04884	0.6
80.02550	2.0
81.03326	1.5
83.01262	0.4
83.04900	7.4
84.02036	3.8
84.05250	0.3
90.39035	0.3
95.04886	1.0
125.05952	0.9
125.09651	0.5
127.11172	0.3
135.08098	1.0
138.91460	0.3
139.25168	0.3
147.11629	0.4
153.12773	0.4
163.11220	4.9
165.12769	4.1
181.12260	0.9
183.13785	0.5
191.10677	1.6
199.13339	0.9
209.11774	100.0
210.12115	9.6
227.12848	3.5
228.13210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.57119	0.2
51.77102	0.3
55.79290	0.2
57.03321	0.5
58.00455	0.2
59.01249	0.4
65.01333	0.2
65.67342	0.2
70.85178	0.2
71.01259	0.2
71.57066	0.3
83.04907	0.9
99.92449	0.3
101.02338	0.2
106.03952	0.2
106.12877	0.2
111.08047	1.2
127.13763	0.2
129.77213	0.2
156.18152	0.2
157.05107	0.3
163.11162	0.4
165.12761	18.3
166.13121	1.7
169.12279	0.6
174.06699	0.2
183.13824	100.0
183.64651	0.2
184.14229	7.8
188.19954	0.2
191.10750	0.4
199.13316	1.3
201.07768	0.4
203.65884	0.2
209.11771	7.1
210.12180	0.6
227.03438	0.5
227.12842	17.9
227.16550	0.8
227.20123	2.2
228.08772	0.3
228.13205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01759	1.8
57.03323	0.4
59.01249	0.5
65.00172	0.3
65.01307	1.0
70.95438	0.3
71.04899	1.8
71.28714	0.3
71.56266	0.4
73.02817	100.0
73.77019	0.4
74.03159	1.9
75.52306	0.3
80.02569	0.5
83.04913	1.8
84.02037	1.2
85.99976	0.4
95.04903	0.7
97.06490	0.5
109.06454	0.9
111.08149	0.3
117.01873	0.5
123.33191	0.4
125.09567	0.5
130.03951	0.5
137.09579	0.4
139.11163	0.8
155.10681	0.5
156.05591	0.4
157.05064	0.6
163.11229	1.2
165.12750	1.6
174.06621	0.4
183.10262	0.3
183.13753	0.4
186.07689	0.4
186.66142	0.4
203.92120	0.4
209.11757	22.7
210.12178	2.1
227.06914	0.9
227.12831	19.5
227.16406	0.8
227.20018	1.7
228.13185	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.68045	0.3
57.03290	0.3
58.00444	0.7
59.01217	0.7
63.74656	0.3
66.13656	0.3
70.05211	1.5
71.04887	0.4
72.20852	0.3
80.02535	2.1
81.03335	1.6
83.01251	0.4
83.04892	7.0
84.01615	0.3
84.02035	3.7
95.04857	1.1
97.06461	0.4
117.53918	0.3
125.05919	0.9
125.09605	0.7
134.89824	0.4
135.08011	1.0
147.11728	0.4
163.11197	5.2
164.11559	0.4
165.12756	4.4
166.13083	0.4
169.12250	0.8
171.13776	0.5
181.12192	1.3
183.13829	0.9
191.10733	1.8
199.13332	8.5
200.13670	0.7
209.11765	100.0
210.12100	9.3
213.07719	0.4
227.12842	13.6
227.16382	0.6
227.20137	0.7
228.10400	0.6
228.13191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1492
Annotation	Annuionone E
Peak:m/z	Relative Intensity
50.59985	0.4
55.33875	0.5
57.03323	2.9
59.01256	3.0
59.98389	1.2
65.00191	3.0
70.96995	0.8
71.01246	0.6
71.46950	0.4
75.07503	0.4
85.02823	0.7
93.03322	0.9
99.04391	7.2
101.02308	0.7
106.04001	0.7
109.06475	0.6
125.28470	0.4
135.08118	0.5
136.98723	2.2
137.02325	1.3
137.42778	0.5
152.08334	1.2
152.91640	0.5
156.05566	0.5
160.36714	0.5
163.11200	1.1
165.01854	0.6
165.12785	0.5
176.48758	0.5
179.05446	0.7
181.12274	2.4
183.06711	0.7
195.02974	0.9
198.07819	0.9
207.10172	3.7
207.13853	1.6
210.05374	1.0
225.11263	6.5
225.14900	100.0
226.11290	0.4
226.15234	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
57.03321	0.3
58.12572	0.2
59.01252	3.0
65.00189	1.0
65.01311	0.3
69.03320	0.3
70.58849	0.2
71.01273	0.3
71.04885	0.5
71.56751	0.4
73.02812	0.4
80.02498	0.3
81.03342	1.0
83.04893	0.7
89.28941	0.2
93.03329	0.6
95.04903	0.6
97.02826	11.9
97.06461	0.8
98.03148	0.5
99.00757	3.4
106.04037	0.4
109.02809	0.4
109.06475	4.8
110.03615	3.8
111.04417	0.5
117.53963	0.2
118.70126	0.2
121.06496	0.4
123.04406	0.9
125.09605	1.4
135.08052	2.2
136.05190	2.3
136.98686	0.9
137.02275	0.5
142.02628	5.8
143.02959	0.4
145.10094	0.5
147.19109	0.3
151.07530	0.6
152.08357	0.3
156.05608	0.4
157.05113	0.3
161.09641	1.0
163.11194	12.7
164.11511	1.0
165.01892	0.4
165.09061	0.4
171.06664	0.6
179.10693	1.1
181.12259	33.7
182.12587	3.0
189.09134	0.4
195.02838	0.4
197.11777	1.7
198.07849	0.6
199.06166	0.4
204.87038	0.3
207.10205	75.8
208.10551	7.6
210.05368	0.5
225.11276	100.0
226.11624	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	225.1128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.60938	0.7
57.01133	0.8
57.03318	0.7
59.01255	6.0
65.00183	2.7
65.01302	1.3
68.99683	0.9
69.94285	0.8
71.24094	0.7
71.56685	0.8
73.02817	19.7
74.03162	0.7
80.02539	0.9
81.03295	1.6
82.33581	0.7
83.04885	1.5
85.53162	0.8
93.03305	2.4
95.04869	3.4
97.02805	3.3
98.02294	0.8
99.00750	1.0
99.04385	1.0
101.83353	0.8
105.15270	0.8
106.03980	1.0
107.04884	1.2
109.02850	0.8
109.06471	10.8
112.07727	0.8
113.05922	0.7
113.11169	0.7
121.06476	1.1
123.04443	1.0
135.08044	1.3
136.98660	4.2
137.02361	1.0
139.11954	0.8
142.02579	1.0
152.08339	1.9
156.05539	1.2
157.05116	1.2
161.09578	1.3
163.11197	19.3
164.11462	1.9
165.01854	1.9
168.16080	0.7
171.06671	1.5
180.04253	1.0
181.12256	100.0
182.12596	9.7
183.06721	0.9
195.02866	1.3
195.06555	1.5
198.07751	2.4
199.06137	1.9
207.10199	27.2
208.10547	3.0
210.05301	1.5
225.11282	65.0
225.14900	4.6
226.07344	1.0
226.11703	5.9
239.12521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01236	2.1
62.25630	1.3
65.00198	2.4
65.01316	1.7
68.16718	1.5
69.51971	5.1
69.52406	5.6
73.02820	10.7
80.10700	1.4
95.04906	5.8
100.29180	1.4
103.70611	1.5
107.51724	1.6
116.02477	1.6
117.46827	1.3
120.05710	1.5
127.27334	1.5
136.98653	2.1
137.02316	1.8
151.36800	1.4
152.08382	1.6
163.11203	16.0
181.06439	2.0
181.12265	75.1
182.12636	7.4
198.07692	2.2
207.10208	5.2
210.05286	2.0
224.58931	1.6
224.68562	1.5
225.05630	8.9
225.11285	100.0
226.05641	1.7
226.07617	2.1
226.11629	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	225.1128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
56.94182	0.8
59.01251	7.9
65.00192	2.9
73.02809	1.3
81.03333	2.1
83.04894	1.9
84.05199	0.8
93.03354	3.4
95.01239	0.9
95.04908	1.3
96.95884	1.1
97.02824	8.9
99.00742	2.4
109.02831	1.0
109.06487	16.8
110.03620	3.2
121.02843	0.9
121.06487	1.4
125.09609	1.2
126.90382	1.1
135.08047	1.8
136.05215	1.5
136.98709	6.2
137.02359	1.6
142.02638	5.9
151.03966	1.4
152.08344	1.1
158.59276	0.8
161.09566	1.8
163.11192	16.9
168.34390	0.9
178.83316	1.6
179.10635	1.8
181.01350	1.1
181.12254	14.9
181.15912	1.2
182.12672	1.3
184.48483	0.9
194.01651	1.2
199.43666	0.8
207.10197	69.4
208.10532	6.3
224.90414	1.3
224.96941	1.0
225.00279	1.4
225.11279	100.0
225.14902	3.7
226.11627	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	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03308	2.1
59.01251	7.1
68.88749	0.6
69.03326	8.5
71.04600	1.2
71.04937	2.5
79.61478	0.7
83.04887	1.0
85.06464	1.3
93.03382	0.8
95.04896	0.9
108.04235	0.6
109.06470	1.7
111.08039	0.8
121.02817	0.7
125.09618	1.5
135.11691	1.7
141.09113	0.8
141.17424	0.6
149.09554	1.4
161.13257	1.6
166.06284	0.7
167.10689	9.9
168.11037	0.7
177.12798	2.2
179.10721	4.2
179.14302	10.0
193.55492	0.7
195.13835	30.3
196.14191	2.6
205.12268	22.6
206.12544	2.4
208.03662	1.8
211.45206	0.6
213.32100	0.6
223.13335	100.0
224.13672	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	223.1336
Annotation	Annuionone A
Peak:m/z	Relative Intensity
57.03324	92.4
58.03659	2.3
58.03928	0.6
59.01248	7.8
59.98383	1.4
61.98716	1.4
69.03328	2.2
70.32544	1.9
71.01266	1.8
71.04870	0.8
72.99181	0.8
73.02833	1.2
82.03997	1.1
83.01247	0.6
85.02835	1.3
91.22317	0.6
93.03354	2.4
97.02869	0.6
99.00761	0.5
99.04392	8.2
101.02332	1.7
101.07545	0.6
113.02303	0.7
121.02831	3.1
123.04426	0.5
123.08039	0.7
135.04405	1.4
137.06102	0.6
141.01680	1.2
149.02357	5.7
150.94722	1.0
151.03932	1.3
152.01012	1.0
153.09053	0.5
161.04474	0.8
163.03899	1.4
163.11259	0.9
164.04666	3.3
164.83449	0.6
165.01834	2.8
165.05054	0.6
165.09167	1.1
166.36948	0.5
169.04996	1.1
178.99858	0.7
179.07080	1.6
179.10672	1.1
179.14331	2.8
193.01344	7.0
194.01634	0.5
195.13837	0.7
197.94794	0.6
205.12291	1.0
208.03716	10.3
209.04178	1.1
223.02403	1.0
223.06024	6.4
223.13341	100.0
224.06015	0.5
224.13725	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	223.0607
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.34069	0.3
56.25246	0.3
58.81777	0.3
59.01287	0.4
65.00200	0.7
69.87088	2.1
72.37175	0.3
83.08458	0.3
89.03838	1.3
91.05412	0.8
93.03331	6.1
94.03669	0.4
102.76150	0.3
109.02876	0.4
117.03357	1.2
119.04909	0.8
121.02840	30.8
122.03185	1.5
132.02080	2.1
135.04422	4.6
136.04779	0.4
137.02367	0.9
147.04420	5.1
148.01523	0.5
149.02344	100.0
150.02679	5.6
151.03883	0.5
152.01060	6.5
163.03951	6.6
164.04701	56.6
165.01849	5.3
165.05026	3.8
167.03474	1.1
167.84647	0.3
169.04979	2.9
179.07047	7.0
180.07526	0.4
193.01366	24.2
194.01752	2.2
207.02972	0.6
208.03717	32.7
209.04041	2.6
223.06059	27.3
224.06432	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	223.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.01241	2.4
62.46992	0.4
63.02249	0.4
65.00200	0.8
65.01335	0.8
65.03819	0.4
67.28247	0.4
71.01254	0.5
93.03329	9.1
109.02839	0.9
110.02434	0.5
117.03333	1.0
119.04887	0.7
121.02838	35.1
122.03189	1.8
123.00746	0.5
130.03984	0.6
132.02095	1.3
135.04425	4.9
136.01558	0.6
137.02281	1.1
139.28566	0.5
147.04404	3.0
148.01456	0.5
148.04857	0.5
149.02338	100.0
150.02676	5.9
151.03853	1.0
152.01060	8.1
153.01587	0.5
163.03911	8.1
164.04691	70.7
165.01813	6.4
165.05013	4.3
167.03384	1.4
169.04985	3.3
179.03339	0.6
179.07062	6.4
180.04092	0.5
180.07584	0.8
193.01338	29.2
194.01695	2.5
196.06204	1.3
197.71103	0.4
207.02937	0.6
208.03699	43.8
209.03996	2.9
223.02499	1.1
223.06027	29.6
223.13298	1.4
224.06360	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	223.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23308	0.5
53.48898	0.5
53.60549	0.5
59.01254	0.8
65.00192	1.1
67.01765	1.5
71.10278	1.2
79.01776	1.0
85.02833	0.9
93.03326	16.2
101.02358	0.5
101.80298	0.5
107.01256	0.6
108.19775	0.5
109.02834	1.6
113.51803	0.5
121.02834	26.7
122.03193	1.0
134.03615	0.8
135.04401	10.7
136.01553	1.2
137.02364	2.4
139.00197	0.7
140.03424	0.6
147.04347	0.7
148.01569	1.0
149.02341	59.1
150.02672	3.4
151.03886	1.8
152.01048	19.0
163.02545	0.6
163.03923	16.2
164.04698	37.9
165.01834	14.3
165.04941	2.6
167.03418	3.6
169.04987	9.8
170.05373	0.6
179.03397	0.7
179.07048	13.8
179.10490	0.7
180.04173	1.0
180.07437	1.1
192.23120	0.5
193.01347	69.7
194.01688	4.8
196.06230	0.7
207.02907	1.1
208.03705	100.0
209.04054	8.1
223.06056	52.5
223.13354	1.5
224.06477	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	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.8
59.96583	0.7
61.98696	0.3
70.31212	0.2
71.01234	0.3
71.12239	0.4
74.98944	12.4
75.96069	0.7
75.98898	0.3
82.03989	0.2
85.02834	0.2
89.02353	0.2
91.40107	0.2
93.00005	11.8
93.03336	0.4
93.99987	0.2
96.95856	0.2
99.05838	0.2
101.02320	0.4
121.02836	0.9
122.33634	0.2
135.04468	0.4
141.01601	0.5
149.00868	12.1
149.02296	1.9
150.00839	1.0
150.02663	0.2
150.98730	0.7
151.03888	0.6
152.01047	0.4
163.03920	0.5
164.04630	0.9
165.01845	0.5
166.06364	0.3
169.04980	0.3
178.99867	0.2
179.07092	0.5
179.10605	0.3
193.01344	2.5
194.01572	0.2
195.13820	0.5
206.99644	5.0
207.99687	0.6
208.03708	3.5
208.97562	0.2
209.03976	0.2
223.02776	100.0
223.13277	1.5
224.02814	13.7
225.00836	0.3
241.03850	3.6
242.03854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15712	0.8
52.81129	0.8
65.99724	6.9
69.03338	2.4
69.08917	0.7
69.93146	3.3
71.17757	0.7
78.82642	0.7
79.01768	1.1
81.03332	1.9
90.03384	0.8
93.03307	1.0
95.01258	1.9
97.02840	1.0
106.66142	0.6
108.02048	1.8
109.02826	2.3
111.04419	2.1
118.02867	13.9
119.03149	0.7
121.02840	1.3
123.00764	23.5
123.04443	0.9
124.01096	1.2
125.02351	4.9
135.00792	2.2
136.01552	3.9
137.02379	0.7
138.03079	0.7
139.00258	4.1
139.03905	0.8
141.01791	4.7
146.02382	4.4
149.02388	2.6
149.99500	0.7
151.03922	21.2
152.01064	2.4
152.04240	0.9
153.01797	1.4
155.03419	4.1
158.56462	0.6
162.01831	1.9
163.00230	3.7
163.02583	0.9
164.04733	1.8
166.99762	22.4
167.03410	21.8
167.04860	0.8
168.03717	0.8
169.01335	7.9
176.03490	1.3
178.04994	0.9
180.00591	1.4
182.02118	100.0
183.02461	5.0
190.01390	6.6
194.04529	1.0
195.02904	48.5
196.03264	3.4
197.09618	0.7
204.02939	2.2
208.03830	1.1
222.04008	34.2
223.02431	1.6
223.04355	2.7
223.06213	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	221.1541
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
56.36357	0.1
59.01253	0.8
61.87719	0.2
62.24924	0.2
64.21156	0.2
69.92831	0.9
70.18526	0.1
72.03140	0.1
72.25651	0.2
77.64407	0.2
83.33526	0.2
99.79649	0.1
127.07535	0.6
128.74217	0.2
128.75206	0.2
142.60295	0.1
145.63885	0.2
148.05194	0.4
149.05888	0.3
151.07533	0.4
164.08336	2.4
165.08832	0.2
205.12296	1.8
206.12576	1.1
207.13866	1.1
220.14644	4.3
221.15411	100.0
222.15749	10.4
222.17989	0.3
235.13338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	29.1
65.01298	1.4
68.72866	1.0
69.03325	49.3
70.96518	1.8
71.01260	2.2
71.04890	100.0
72.05232	3.4
73.02840	1.2
75.02281	3.0
87.99930	1.1
93.03347	4.1
94.68931	1.1
99.04456	1.2
101.02338	1.3
103.38166	1.1
107.04920	3.1
115.36132	1.2
119.01318	1.2
121.02839	48.9
122.03207	1.8
134.03635	17.5
134.05717	1.0
135.04248	1.6
136.05130	1.2
139.35497	1.0
147.00801	5.9
147.08070	3.4
148.77202	1.2
149.02376	1.7
149.09619	10.8
161.04500	2.7
165.01811	4.0
175.07558	1.3
177.05450	1.9
177.09105	15.4
178.09592	1.6
178.98393	1.8
179.10696	1.8
184.93202	1.1
190.99754	4.0
193.08615	3.1
195.06749	1.8
203.10724	1.9
206.02104	2.8
206.09387	2.5
213.42004	1.2
221.01022	1.9
221.04672	1.8
221.08183	25.7
221.11690	8.2
221.15396	3.4
222.08203	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	221.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
55.50894	0.9
57.03328	1.1
59.01250	33.9
60.97597	1.0
69.03323	44.7
69.26929	5.9
69.27351	3.3
71.01233	2.4
71.04892	100.0
72.05219	2.6
72.87244	0.9
75.02265	2.0
75.96448	0.9
80.05942	0.8
80.55559	0.9
82.03951	1.2
85.02842	2.3
93.03320	4.3
99.00736	1.1
101.02295	2.0
107.04917	3.0
121.02844	49.6
122.03153	1.8
125.04463	0.8
127.96813	0.8
131.03409	1.3
134.03633	18.3
135.04239	1.4
140.49579	0.8
147.00755	3.4
147.08046	4.0
149.02330	1.5
149.05997	1.3
149.09622	9.1
150.09863	1.0
151.03876	2.3
151.07532	1.3
161.04536	1.5
161.09589	1.0
165.01875	5.0
167.03452	1.4
175.07652	1.4
177.01840	1.2
177.05516	1.2
177.09129	14.2
178.98389	1.8
179.10678	1.8
190.99753	4.1
193.08658	3.3
203.10661	1.4
206.02142	2.0
206.05719	1.0
206.09424	4.0
214.13394	0.9
221.01027	1.7
221.04533	2.0
221.08215	26.2
221.11745	10.8
221.15334	2.4
222.08263	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	221.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	91.7
60.99172	11.2
63.96119	10.2
69.28697	79.6
71.01248	22.9
72.99171	100.0
74.98997	6.6
75.00750	10.4
78.98466	32.6
85.02808	14.4
87.00767	20.9
96.38561	6.9
98.41374	6.8
101.02390	8.8
113.02326	10.7
115.00269	18.5
129.01859	8.8
133.01326	25.1
161.04486	8.2
206.02037	9.9
221.04691	12.3
221.06580	8.9
221.11781	24.4
221.15152	21.3
239.30933	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	218.1028
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.81042	0.4
51.92197	0.3
58.15559	0.3
59.01258	2.2
71.01254	11.2
71.04889	18.7
72.00774	0.8
72.01595	0.5
72.05219	0.4
75.00758	0.5
79.86900	0.4
80.97473	0.3
82.77969	0.4
83.28532	0.3
88.03911	100.0
89.04231	2.2
98.06014	0.4
99.04401	6.3
103.60018	0.3
114.05506	0.5
116.03414	0.6
116.07044	3.5
124.91329	0.4
129.05402	0.8
146.08127	51.4
147.08484	2.2
160.48634	0.4
184.86819	0.4
212.23608	0.4
218.10281	19.7
219.06662	0.4
219.10548	1.5
219.17462	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.72630	0.3
59.01244	0.9
71.56195	0.5
85.68134	0.3
87.00750	0.6
111.68015	0.4
165.12708	0.4
168.91058	0.4
177.12781	0.4
183.13832	28.6
184.14177	2.9
195.13837	22.5
196.14211	2.1
207.17075	0.4
211.13316	0.6
213.14906	100.0
214.15245	10.0
214.17172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0192
Annotation	4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate
Peak:m/z	Relative Intensity
51.61529	0.8
54.30619	0.9
55.01723	3.9
55.51019	0.9
59.01214	2.7
60.74289	0.9
65.00173	2.2
65.47904	0.9
66.43803	0.9
67.01730	3.6
68.83461	1.0
68.99674	6.3
71.01254	9.7
71.16411	2.0
72.99137	3.0
75.00720	1.5
80.99641	3.6
83.01243	7.6
85.02814	1.3
87.00745	100.0
88.01063	1.3
95.01202	4.2
96.99139	1.7
99.00698	3.3
101.02261	2.2
108.99140	2.1
111.00752	23.6
112.98640	4.3
115.00173	1.0
115.03872	1.0
125.02262	2.3
127.00269	10.0
127.93415	0.9
136.98715	5.4
138.99277	0.9
139.00253	14.2
140.51350	1.1
141.01837	1.6
142.12225	1.3
143.03268	3.7
143.12508	3.9
144.00706	4.0
154.99757	12.7
156.00418	2.2
157.01196	3.8
164.98106	3.5
168.00473	1.9
169.01347	7.3
169.10527	1.4
182.99133	2.3
187.02393	2.2
196.99272	1.3
197.00829	16.8
198.01224	1.5
215.00787	37.6
215.09015	1.1
215.10884	1.3
215.12697	1.8
216.01067	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.98390	1.8
64.83011	0.3
69.92669	1.2
72.35945	0.3
85.02827	0.6
90.52136	0.3
93.65945	0.3
98.03600	0.8
99.04396	7.1
108.47308	0.4
112.38971	0.3
141.27296	0.4
165.12764	0.9
167.14285	0.6
183.13774	1.6
193.12262	0.5
211.13335	100.0
212.13681	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	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03315	0.7
59.01250	0.7
65.01322	1.0
65.89101	0.4
69.03347	0.8
69.84913	0.4
70.04302	0.9
70.04711	1.0
71.04894	0.4
72.99158	0.4
73.97251	0.3
83.04900	0.6
87.00755	0.8
105.04432	0.4
128.71846	0.3
144.05568	0.4
151.11188	12.2
151.12416	0.6
152.11473	0.7
160.05113	0.5
169.12251	100.0
170.12576	7.0
171.06696	0.8
172.06288	0.6
177.09076	0.4
187.06227	1.1
195.10199	0.7
213.07858	0.6
213.09209	0.7
213.11259	15.4
213.14726	2.4
213.18535	1.1
214.07214	1.0
214.11533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.83141	0.3
56.74140	0.3
59.01233	0.4
69.03315	0.8
71.56296	0.6
71.56642	0.2
74.54821	0.3
83.04906	0.4
86.48953	0.3
111.04346	0.3
123.60909	0.3
155.10638	0.8
165.12743	0.7
166.83614	0.3
166.90807	0.3
167.10704	0.7
167.14278	1.7
179.48706	0.3
181.12274	0.3
183.13832	14.8
184.14160	1.3
193.12265	3.1
194.12617	0.4
211.13336	100.0
212.13678	9.6
212.15237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0243
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
59.01243	0.4
63.02267	3.7
64.02638	0.2
65.00194	18.5
65.01311	0.5
65.99731	0.4
66.00524	0.5
66.00846	0.3
71.57052	0.3
81.03320	0.4
82.35264	0.2
83.01256	9.0
90.00819	0.2
95.01276	0.2
105.18537	0.2
107.01270	25.3
108.01534	0.9
108.99170	0.4
109.02858	0.3
112.93577	0.3
123.00775	0.2
123.08020	0.3
125.04282	0.2
139.00125	0.2
142.04001	0.2
151.00272	100.0
152.00601	6.0
157.03954	0.3
157.05147	0.6
166.91051	0.3
167.06061	0.5
167.10603	0.3
169.01334	3.4
169.05096	0.4
170.01732	0.4
178.99771	5.6
180.00113	0.4
183.02931	0.7
183.13831	0.3
184.05000	0.5
185.04668	0.6
185.08318	0.3
196.03650	0.4
203.04196	0.2
211.02419	16.0
211.05898	0.5
211.09866	0.4
211.13367	4.1
212.02760	0.8
212.05681	0.6
212.09248	0.5
212.13744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.98463	0.3
55.01761	3.4
57.03321	2.0
59.00953	0.4
59.01249	5.2
65.00185	0.8
69.03328	0.9
69.74683	2.0
71.01247	0.6
71.04884	0.6
72.82149	0.3
80.02535	1.2
81.03333	5.5
83.01258	31.6
83.04900	3.8
84.01585	0.7
84.02032	1.4
84.44955	0.4
85.02811	0.7
92.99708	1.1
93.03333	0.9
94.02859	0.7
95.04900	1.7
96.95882	0.4
97.06479	4.5
98.19777	0.5
99.00724	0.5
106.04089	0.4
108.02056	0.4
109.06454	0.5
111.08057	0.6
120.01988	0.4
120.95028	0.4
121.02846	26.1
122.03175	1.6
123.08055	2.7
124.03953	1.7
125.09612	27.2
126.09954	1.4
134.03693	0.5
135.08047	2.8
136.98679	0.7
137.06055	0.4
142.02568	0.4
147.11674	0.9
149.09645	0.6
163.11212	11.9
164.11583	0.9
164.94057	3.3
164.98204	0.8
165.12758	3.8
165.68680	0.4
166.94215	0.4
167.10655	0.4
173.09615	0.7
179.59404	0.3
181.04979	0.5
181.12280	1.8
191.10713	7.8
192.11079	0.9
204.25282	0.3
208.93040	0.7
209.04573	3.0
209.11783	100.0
210.12119	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32723	1.0
57.03302	1.3
59.01262	1.9
59.01748	0.9
59.98395	12.4
60.28281	1.0
67.05383	1.1
69.03324	3.5
69.35298	1.5
69.35697	8.7
71.01251	1.8
74.10607	1.0
79.05409	2.1
83.04884	1.4
85.02823	3.9
87.12447	1.0
93.06415	1.2
93.06975	4.3
95.04920	1.4
96.95861	1.7
97.06454	2.1
98.03628	2.7
99.04416	8.2
106.31564	1.0
109.06464	3.5
121.02841	24.3
122.03187	1.3
124.03953	1.9
133.10133	3.1
135.11674	6.5
147.11687	5.1
163.11224	1.8
165.12761	3.0
173.09569	1.9
179.03441	1.4
179.10687	3.3
191.10681	4.8
194.03113	1.0
209.00868	1.2
209.04478	4.1
209.11768	100.0
210.12106	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	209.1178
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
53.37872	1.1
55.01749	1.5
57.03327	5.0
57.03560	0.9
57.20189	0.7
58.00455	1.5
58.44475	0.8
58.60899	0.9
59.01251	35.3
65.00202	1.8
66.00971	1.0
69.03320	1.7
71.01250	24.8
71.04864	1.4
71.56557	1.1
71.56943	0.9
73.02811	1.4
75.00716	1.1
80.02560	1.7
80.91560	1.9
81.03326	2.4
83.01243	2.7
83.04904	3.9
84.02032	1.7
85.02831	2.9
92.99686	4.5
93.03324	3.3
94.02863	4.3
95.01289	1.3
95.04927	4.1
96.95876	1.4
97.02833	1.6
97.06464	4.8
103.91904	3.6
106.04165	0.8
107.04873	1.2
108.02036	1.6
109.02852	0.9
109.06515	1.1
111.08026	3.0
118.94064	2.0
120.02037	1.3
120.95026	2.2
121.02844	100.0
122.03162	6.5
123.08022	2.8
124.01566	1.2
124.03935	9.0
125.02363	1.4
125.09608	8.1
133.50058	1.0
135.04419	1.5
135.08058	1.2
135.19612	0.8
136.01527	1.7
136.98692	3.0
137.02373	2.0
137.05942	2.0
137.09602	1.0
145.10109	3.1
147.11739	2.2
151.03883	1.0
151.11197	31.9
152.11537	1.9
153.12752	4.1
161.09636	1.5
163.11214	7.4
164.11522	0.9
164.94032	24.2
164.98195	4.6
165.01884	1.0
165.05476	1.2
165.12778	20.7
165.94147	1.3
166.12982	1.1
166.90973	1.6
166.94170	1.4
167.10753	1.0
173.09650	3.6
179.10669	5.3
181.12270	34.9
182.12584	3.0
184.92055	1.4
191.10703	16.3
192.11067	1.3
194.02148	2.6
194.05646	1.5
208.93062	6.1
209.01154	1.1
209.04500	12.5
209.08263	2.7
209.11768	87.6
210.04871	1.4
210.07715	1.2
210.12128	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	209.1178
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
53.92707	0.8
57.03319	9.0
58.00466	1.3
59.01249	36.1
61.98686	0.7
65.00186	1.1
66.03343	1.5
67.01770	0.8
69.03333	2.4
69.40048	1.5
69.40460	5.3
71.01252	19.0
71.04878	1.8
73.02808	2.0
80.02538	3.1
80.91577	1.2
81.03327	2.1
83.01254	1.5
83.04415	0.7
83.04881	4.8
84.02056	1.7
85.02794	1.5
91.01744	1.8
92.99680	3.2
93.03324	2.4
94.02866	2.3
95.04897	4.5
96.95899	1.8
97.02820	1.2
97.06461	6.2
98.19791	1.5
99.04362	0.8
103.91888	2.5
107.04922	1.0
108.02059	1.6
109.06460	0.9
110.23016	0.7
111.08034	3.7
112.01513	1.1
118.94094	1.2
120.02024	0.9
120.95020	2.9
121.02846	85.9
122.02414	0.7
122.03106	4.2
122.89302	0.8
123.08037	1.6
124.03945	6.9
125.09600	7.1
133.10127	1.0
134.03664	0.8
135.04451	1.1
135.08038	1.6
136.01538	1.1
136.98705	2.6
137.05991	1.8
137.09590	1.1
144.00528	0.9
145.10107	2.5
147.11697	3.0
148.93214	0.8
149.09689	1.3
151.07483	1.1
151.11185	28.8
152.11491	2.8
153.12749	3.3
158.10504	0.8
161.09677	1.3
163.11209	8.2
164.91483	1.1
164.94035	20.6
164.98193	3.4
165.05516	1.0
165.09111	1.4
165.12761	25.0
165.94225	1.0
166.13130	2.2
166.90895	0.9
166.94234	1.3
173.09625	2.2
177.09131	0.9
179.03300	0.9
179.10716	8.3
181.12260	35.9
182.12581	3.4
184.92058	1.3
191.10701	16.3
192.11086	1.3
194.02119	1.6
194.05788	1.1
208.93083	6.1
209.00935	0.7
209.04489	10.3
209.11771	100.0
210.12100	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	207.0657
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
59.01249	0.5
60.33049	0.2
68.21616	0.2
70.96889	0.4
77.03846	0.3
95.04914	0.6
101.88483	0.2
105.03337	5.1
108.42902	0.2
109.06470	0.6
123.04409	0.4
133.02849	37.7
134.03180	1.5
149.02347	2.4
151.03915	0.4
161.02350	0.2
164.04688	2.6
164.39456	0.2
177.01846	13.2
178.02235	0.8
192.04205	100.0
193.04558	7.2
207.06563	16.8
207.13831	0.7
208.06920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
51.66855	0.5
52.11042	0.4
54.31580	0.5
58.57209	0.4
59.01250	9.6
59.55665	0.5
65.00188	1.2
66.34868	0.4
66.48792	0.4
70.85738	1.2
78.29562	0.4
84.74449	0.4
87.91415	0.4
88.14771	0.4
91.01797	0.9
92.99683	1.2
94.02862	1.2
95.21001	0.4
96.95892	1.3
118.94078	1.5
120.02102	0.9
121.02843	43.5
122.03130	2.3
122.89271	0.5
123.08070	0.4
124.03927	3.2
125.02306	0.5
135.04369	0.5
136.98701	0.8
137.02310	0.6
137.06013	0.6
142.48953	0.4
164.94035	6.6
164.98196	2.5
165.09160	0.7
166.94147	1.3
179.03448	0.8
189.91968	0.5
191.07196	0.5
194.02168	0.9
194.05800	0.7
208.93138	2.3
209.04500	5.4
209.11771	100.0
210.07780	0.6
210.12112	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	206.0816
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02849	36.4
59.01257	0.4
59.03162	0.8
69.69241	2.2
70.02852	14.2
71.10989	0.4
72.00777	4.9
91.05407	7.1
98.19733	0.4
99.33223	0.4
119.04907	0.6
135.04378	1.8
135.66852	0.4
147.04416	37.8
148.04723	2.5
149.74535	0.4
162.09114	1.3
164.07077	100.0
165.07417	6.3
177.01877	0.8
192.00516	0.5
199.02841	0.4
206.08159	37.2
207.08456	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	206.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	39.6
59.01256	1.4
65.99742	1.0
69.53302	1.7
69.53710	5.0
70.02853	12.1
72.00768	5.5
91.05409	6.2
109.03908	0.8
110.71816	0.7
119.04912	1.3
123.04414	0.7
135.04396	3.7
147.04413	38.6
148.04762	2.5
161.33794	0.8
162.05510	1.3
162.09175	1.1
164.07079	100.0
165.02835	0.8
165.07452	6.6
177.01950	1.6
192.04210	1.9
206.04570	1.6
206.08159	30.7
206.16447	0.7
207.02873	1.2
207.06688	1.4
207.08492	2.2
207.10242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04152	2.9
53.31423	2.3
54.48116	2.4
57.03309	3.4
58.00465	7.7
58.02856	3.5
59.01247	57.7
60.01579	5.8
60.18163	2.3
60.40175	2.3
60.99143	2.7
68.70308	2.5
68.99699	14.2
68.99998	2.3
70.00006	3.2
70.94805	7.1
71.01250	32.1
72.01595	5.1
72.99178	37.7
73.02819	8.9
75.00742	19.8
83.01260	5.5
83.04890	2.9
84.92444	2.5
84.99190	6.0
85.02831	8.9
87.00749	82.7
88.01076	3.7
88.93506	2.8
89.02332	3.5
99.00738	24.0
100.98695	8.6
101.02325	12.3
103.00240	13.5
105.01805	4.1
111.00745	4.6
111.21378	2.5
112.98673	16.7
113.02292	2.7
115.00256	11.3
116.00616	9.7
117.01827	6.0
120.07931	2.5
121.08446	2.6
125.02370	3.3
126.02691	4.5
127.00276	4.1
129.01834	30.3
130.87555	3.2
130.99756	100.0
133.01317	6.0
136.49377	2.6
142.99780	6.3
144.00571	14.1
145.01331	54.3
147.02940	4.1
149.04459	11.2
156.00172	3.4
157.01401	21.6
163.00232	2.9
177.01787	4.7
189.03983	9.4
192.04150	5.3
206.04256	24.0
207.03030	4.9
207.04997	56.5
207.06815	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65834	4.9
57.03315	6.5
57.26052	4.8
59.01250	86.9
68.99671	15.6
70.57958	16.2
71.01254	100.0
71.04914	5.1
72.99171	55.6
73.02803	8.3
75.00747	43.7
82.48461	4.8
83.01246	18.4
86.37453	4.5
87.00743	77.4
89.02274	6.3
96.99197	13.9
99.00752	42.6
101.02314	14.6
103.00214	4.9
111.00744	20.5
112.98697	23.3
115.00259	100.0
117.01796	18.8
124.98679	19.8
125.02328	35.6
127.00273	10.4
129.01819	17.5
130.99750	19.2
142.99747	25.6
145.01285	28.3
154.99738	17.6
161.06062	5.1
163.11179	13.2
173.00856	6.5
173.67931	4.9
175.02464	11.1
177.05385	4.9
180.70129	4.7
190.02681	5.3
205.03246	6.8
205.05016	9.3
205.12227	16.7
205.15910	21.6
206.04317	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	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.71960	0.1
56.37107	0.1
58.31269	0.1
59.01234	0.4
61.98693	0.2
62.19599	0.1
71.01268	0.2
71.56468	0.2
85.02856	0.2
115.00261	0.2
161.05995	0.3
162.89267	0.4
163.11229	0.2
164.07179	0.1
189.12776	2.0
191.54805	0.1
205.01346	0.4
205.04944	0.7
205.15912	100.0
206.16252	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	7.6
57.03313	3.8
58.00457	3.9
58.02832	4.3
59.01249	70.2
60.01592	1.0
60.99179	2.2
67.01758	3.1
68.99692	12.9
69.36924	6.5
69.37331	1.5
71.01250	80.7
71.04882	6.5
72.01567	2.6
72.99179	49.9
73.02810	12.7
75.00744	38.4
75.45216	0.9
80.72930	0.9
81.03329	1.1
83.01255	9.4
84.06867	0.8
84.99164	2.5
85.02813	4.3
87.00751	62.7
88.98670	2.1
89.02301	6.1
93.46370	0.9
96.99194	8.5
97.99982	1.7
99.00755	33.8
99.04375	6.2
100.01070	1.2
100.98677	4.3
101.02327	13.8
103.00238	9.3
111.00758	26.3
112.01049	1.7
112.98689	15.3
115.00253	100.0
115.03896	1.2
116.00599	1.9
117.01817	15.0
118.03197	3.6
124.98696	11.1
125.02329	37.8
125.03243	2.1
125.99494	1.1
126.02637	1.5
127.00264	11.9
128.00575	1.0
128.15968	1.0
129.01826	18.4
130.99754	25.6
133.01308	1.6
142.99753	25.4
143.03430	2.7
143.07013	0.9
144.00572	5.2
145.01323	29.4
147.03014	1.3
154.99765	18.9
157.01337	9.7
169.01385	1.8
173.00793	6.7
175.02406	10.2
187.02379	3.6
205.03474	8.1
205.07018	2.1
206.04239	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	203.019
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
54.53106	0.9
57.03316	1.9
59.01243	3.8
60.99164	2.9
67.01734	1.7
69.03325	66.1
70.03647	1.3
70.69241	2.4
71.01254	41.5
72.01591	1.1
72.99186	7.2
74.68356	0.8
75.00763	6.3
79.01763	3.0
83.01263	2.1
85.02819	10.4
87.00754	13.8
87.04389	1.0
94.11104	0.9
95.01266	6.7
96.13735	0.8
97.02827	89.4
98.03180	2.3
99.00771	4.0
103.91915	2.5
104.97619	2.2
105.01793	1.2
111.00751	3.9
112.98652	1.0
113.02338	2.6
115.00255	11.3
115.03868	1.6
123.00762	3.8
127.00266	2.3
129.01802	4.8
130.94283	1.4
141.01831	27.4
148.95335	2.5
151.99992	1.0
159.02887	2.6
185.04370	1.1
202.94087	3.1
203.01904	100.0
203.10645	1.0
203.55917	0.9
204.02353	6.7
204.08740	2.1
210.75081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1334
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03325	1.3
57.48426	0.9
58.00470	2.3
59.01242	2.2
63.34434	0.9
65.01318	4.8
65.99716	1.4
66.00834	0.8
67.01751	0.8
69.03324	1.3
69.63926	2.1
69.64339	4.6
71.04891	2.0
81.04415	1.1
83.01272	2.6
83.04883	1.5
85.02760	1.0
89.01337	2.0
90.00845	1.0
91.02890	1.6
97.02849	1.1
97.06464	1.4
99.00752	5.2
99.08040	2.7
105.04478	1.5
106.03965	1.6
111.00774	1.8
111.08029	1.0
113.02327	1.9
116.02435	2.6
116.03266	0.9
127.00269	1.2
127.03904	1.2
130.04018	3.2
131.03508	1.7
132.05559	1.3
133.05054	1.2
137.09598	1.8
139.00342	1.0
141.12738	6.7
145.03964	1.3
145.05061	1.2
153.12755	17.2
153.55992	1.0
154.13058	2.1
155.10704	7.2
156.05553	1.7
156.89371	1.3
157.05070	2.5
158.03505	2.1
162.83838	1.4
164.83516	2.3
166.99835	1.5
169.12277	10.9
171.13843	2.1
172.05026	2.6
173.04639	2.0
197.11853	1.2
199.04404	1.5
199.06155	5.4
199.09628	3.1
199.13330	100.0
199.17027	4.8
200.01152	14.7
200.05634	1.4
200.09427	1.5
200.13705	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	199.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
56.01228	0.4
57.03312	0.7
58.00461	1.1
59.01239	1.2
61.86206	0.4
64.88362	0.4
65.01311	2.3
65.99713	1.0
66.00838	0.8
67.01733	0.6
69.03327	0.5
69.25607	5.0
71.01272	0.6
71.04886	1.0
73.02831	0.9
83.01257	0.7
83.04863	1.0
85.02812	0.9
86.51006	0.4
89.01311	0.7
90.00845	0.5
91.02878	1.0
92.02395	0.7
95.01268	0.7
99.00737	2.4
99.08049	1.4
105.04417	0.9
106.03999	1.3
111.00749	1.5
113.02354	0.8
116.02473	0.6
127.00231	0.9
130.04021	1.9
131.03510	0.8
133.05058	0.5
134.07062	0.5
137.09644	1.6
139.00224	0.9
139.03853	0.7
139.11223	1.1
141.12758	3.5
145.04016	1.1
146.03500	0.7
153.12744	12.8
153.52039	0.4
154.13092	0.7
155.10681	4.3
156.05566	0.5
156.89369	0.6
157.05118	2.0
158.03497	1.7
158.07129	0.8
164.83575	1.2
166.99692	1.1
169.10966	0.7
169.12267	6.3
171.06665	0.7
171.13866	0.7
172.05038	2.7
172.06316	0.6
173.04579	2.0
181.08682	0.5
181.12260	0.7
197.11749	0.5
199.06125	3.3
199.09735	2.9
199.13326	100.0
199.16904	3.1
199.80374	0.5
200.05721	1.0
200.09460	0.9
200.13675	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	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.66663	0.2
53.54906	0.2
55.01723	0.3
57.03310	0.3
59.01258	0.4
65.01303	1.2
65.99720	0.4
66.00846	0.3
67.01778	0.3
67.67316	0.2
68.99683	0.3
69.39399	1.9
69.39800	0.5
70.84753	0.2
71.01257	0.3
71.04891	0.4
71.96661	0.2
72.99183	0.2
73.02817	3.0
76.26205	0.2
83.01288	0.3
83.04918	0.4
84.40734	0.2
85.02818	0.4
91.02905	0.3
95.04858	0.3
99.00759	0.8
99.04366	0.3
99.08010	0.3
105.04500	0.3
106.03990	0.5
109.06472	0.4
111.00768	0.5
111.04482	0.2
111.07947	0.2
112.01092	0.2
113.02332	0.3
116.17764	0.2
127.00249	0.3
130.03951	0.4
131.03540	0.3
135.08066	1.5
137.09613	8.2
138.09953	0.8
139.00238	0.4
141.12764	0.7
146.02415	0.3
146.03493	0.5
155.10680	100.0
156.11017	5.7
157.05139	0.6
158.03473	0.5
166.99780	0.6
169.12253	1.5
171.06703	0.4
171.96109	0.3
172.04990	1.2
172.06328	0.2
173.04614	0.7
173.08206	0.4
181.01265	0.2
181.91893	0.2
185.35965	0.2
199.02490	0.3
199.06108	1.3
199.09691	6.4
199.13315	4.1
199.17010	1.2
200.05653	0.4
200.09930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66663	0.2
53.54906	0.2
55.01723	0.3
57.03310	0.3
59.01258	0.4
65.01303	1.2
65.99720	0.4
66.00846	0.3
67.01778	0.3
67.67316	0.2
68.99683	0.3
69.39399	1.9
69.39800	0.5
70.84753	0.2
71.01257	0.3
71.04891	0.4
71.96661	0.2
72.99183	0.2
73.02817	3.0
76.26205	0.2
83.01288	0.3
83.04918	0.4
84.40734	0.2
85.02818	0.4
91.02905	0.3
95.04858	0.3
99.00759	0.8
99.04366	0.3
99.08010	0.3
105.04500	0.3
106.03990	0.5
109.06472	0.4
111.00768	0.5
111.04482	0.2
111.07947	0.2
112.01092	0.2
113.02332	0.3
116.17764	0.2
127.00249	0.3
130.03951	0.4
131.03540	0.3
135.08066	1.5
137.09613	8.2
138.09953	0.8
139.00238	0.4
141.12764	0.7
146.02415	0.3
146.03493	0.5
155.10680	100.0
156.11017	5.7
157.05139	0.6
158.03473	0.5
166.99780	0.6
169.12253	1.5
171.06703	0.4
171.96109	0.3
172.04990	1.2
172.06328	0.2
173.04614	0.7
173.08206	0.4
181.01265	0.2
181.91893	0.2
185.35965	0.2
199.02490	0.3
199.06108	1.3
199.09691	6.4
199.13315	4.1
199.17010	1.2
200.05653	0.4
200.09930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03313	0.8
59.01247	1.3
65.01310	1.9
65.99707	0.6
66.00828	0.7
68.01262	0.5
71.01240	0.7
71.04879	0.6
71.55205	0.4
71.55631	0.5
72.99152	0.5
73.02823	3.7
81.04455	0.4
82.49799	0.4
83.01248	0.7
83.04888	0.5
84.64375	0.4
85.02827	0.9
86.68800	0.4
89.01336	0.7
91.02884	1.1
92.01311	0.4
97.02822	0.6
99.00784	0.4
99.08103	0.4
105.63890	0.4
106.03981	0.4
106.79456	0.4
107.02430	0.4
111.00809	0.8
113.02347	0.7
114.58207	0.4
115.02956	0.4
116.02421	0.5
119.02453	0.6
123.00735	0.7
127.00249	0.7
130.04012	1.8
132.05527	0.5
135.08046	1.1
137.09607	8.7
138.09952	0.8
139.00259	1.6
143.03511	0.5
145.03978	0.9
146.03586	0.5
155.10680	100.0
156.11026	6.8
157.05087	1.2
158.03517	1.2
166.99792	2.0
171.06711	0.6
172.05014	2.9
172.06218	0.9
173.04605	1.5
181.01401	0.5
199.06140	3.2
199.09689	6.3
199.11432	0.6
199.13324	2.9
199.16954	1.1
200.05701	1.1
200.09908	0.5
210.02791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0239
Annotation	3-Carboxymethylmuconate
Peak:m/z	Relative Intensity
55.01776	3.0
57.26258	0.7
59.98381	0.7
61.66452	0.7
65.00186	11.5
67.01762	11.9
67.02096	0.7
68.99706	2.7
69.00661	0.7
69.03327	7.4
70.81834	1.4
70.82211	1.6
71.01292	2.5
73.43990	0.6
75.00745	1.6
79.01785	2.3
80.99746	0.7
81.03345	2.2
83.01259	6.3
83.04922	0.8
85.02858	1.5
94.37416	0.8
95.01261	38.8
96.01614	2.2
96.99216	0.8
97.02824	36.8
98.03175	2.0
99.00787	1.7
99.04417	1.0
109.02863	1.4
111.00759	32.9
112.00983	1.1
112.01648	1.7
113.02320	1.1
120.50526	0.8
120.99210	1.3
123.00770	26.8
124.01103	1.4
124.98687	0.9
125.02364	2.1
127.03920	3.5
137.99475	1.1
139.00267	48.6
140.01080	17.6
141.01466	0.6
141.76901	0.7
153.01831	70.5
154.02165	3.9
155.03413	9.0
155.10698	1.1
162.48254	0.7
165.98949	1.9
166.99765	93.4
168.00108	5.2
181.01338	100.0
182.01707	7.9
185.00829	14.9
186.01212	0.8
199.02438	8.9
199.09717	1.0
199.13330	1.2
199.16879	1.0
208.02127	0.7
213.88101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67414	0.4
53.00174	0.5
55.45921	0.5
55.75917	0.5
57.03319	0.8
59.01239	2.0
61.98676	1.0
65.00185	0.9
65.01308	1.2
68.99693	0.8
69.03328	2.2
69.22756	2.3
69.23179	3.6
71.04896	0.5
78.74706	0.5
80.99695	1.2
83.01260	1.3
83.04906	1.3
95.01275	2.4
97.02822	0.6
106.04001	0.7
107.04887	0.5
109.02843	0.8
112.01554	1.7
116.03207	0.5
116.92739	1.3
121.02840	1.9
123.00774	5.9
123.35622	0.6
125.02340	1.4
125.09628	0.6
126.90386	1.5
130.04030	0.6
130.99150	0.9
136.98724	1.3
137.02318	0.7
138.03099	1.8
141.09114	0.6
143.03508	0.8
144.05553	1.1
150.12334	0.5
153.01826	0.9
153.05511	1.0
153.09128	2.4
153.12726	3.8
155.03423	0.6
156.05568	1.0
157.05107	0.9
160.84122	4.4
161.84048	0.7
162.83827	13.4
166.99791	5.4
169.01321	1.4
169.12263	16.2
170.07159	1.0
170.12589	1.2
171.06622	3.5
179.10706	1.7
182.02118	12.1
196.98384	0.7
197.00813	1.6
197.04527	4.2
197.08221	3.4
197.11766	100.0
197.80736	4.4
198.07776	1.7
198.12071	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.00183	0.4
59.01251	1.7
61.98706	0.7
63.82130	0.3
65.00214	0.5
65.01306	0.9
67.71341	0.4
69.03326	2.0
69.35443	3.3
75.06156	0.4
76.48185	0.3
80.99701	0.6
81.03329	0.4
83.04898	1.3
95.01273	0.9
97.06486	0.5
98.02333	0.4
107.04896	0.3
109.02776	0.4
112.01637	0.4
112.03922	0.4
116.92724	1.2
121.02838	1.2
123.00783	3.6
123.08059	0.4
125.02310	0.8
125.09637	0.5
126.90402	0.5
129.04446	0.4
130.04018	0.4
130.99112	0.4
138.03122	1.0
141.09108	1.1
143.03448	0.4
144.05511	0.9
153.05510	0.9
153.09106	1.6
153.12753	4.7
156.05615	0.9
157.05075	0.9
160.84134	3.0
162.83820	9.2
166.99774	2.3
169.01280	0.5
169.12251	18.2
170.12636	2.0
171.06691	2.1
179.03445	0.5
179.10680	2.1
182.02132	5.5
197.00804	0.9
197.04614	2.4
197.11758	100.0
197.80745	4.4
198.04124	0.4
198.07765	1.1
198.12091	8.2
214.90504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84985	0.3
57.03312	0.4
59.01255	1.3
61.98703	1.2
65.78873	0.2
67.06007	0.2
67.60503	0.2
68.60017	0.2
69.03326	2.3
71.01249	0.6
71.04881	0.4
71.45732	0.6
73.02832	0.4
76.36763	0.3
78.95800	0.3
80.99706	0.3
81.03329	0.5
83.04900	1.7
89.86832	0.3
95.01241	0.9
95.04837	0.2
96.95908	0.4
97.06467	0.4
109.02818	0.7
111.04425	0.4
116.92731	2.5
121.02829	0.6
123.00768	2.5
123.08038	0.5
125.02303	0.7
125.09621	0.6
126.90370	0.9
136.98711	0.4
137.02361	0.5
137.09598	0.4
138.03061	0.8
141.09113	1.2
151.11180	0.8
153.01851	0.3
153.05458	0.9
153.09129	2.0
153.12737	5.4
154.91275	0.3
155.03468	0.2
160.84125	10.2
161.84166	0.5
162.83820	25.4
166.99763	1.8
169.12253	17.6
170.12685	1.5
178.99724	0.6
179.03372	0.3
179.10690	2.4
182.02141	5.1
183.02463	0.3
196.81123	0.4
197.04639	2.0
197.11760	100.0
197.80734	15.2
197.90268	0.4
198.04034	0.4
198.12100	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	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01239	1.0
65.00184	0.3
67.50574	0.3
69.03332	2.2
71.01239	0.5
71.04880	0.4
80.64709	0.3
83.04881	1.3
85.02818	0.4
95.01270	0.6
97.06475	0.5
99.07964	0.3
109.02856	0.3
112.01557	0.3
113.37965	0.3
116.92749	1.0
121.02871	0.5
123.00773	2.4
123.08020	0.4
125.02370	0.5
125.09641	0.5
126.90423	0.3
129.19839	0.3
137.02359	0.3
137.09561	0.3
138.03046	0.4
141.09106	1.0
145.48114	0.2
151.11177	1.0
153.05495	0.7
153.09160	1.9
153.12775	4.4
154.13106	0.5
160.84137	4.6
161.84113	0.3
162.83833	13.2
164.01068	0.3
166.99776	1.7
169.12265	17.3
170.12621	1.5
179.10751	2.0
182.02136	3.3
196.81181	0.3
196.91212	0.3
197.04715	1.4
197.11775	100.0
197.80746	6.9
198.03926	0.3
198.07802	0.4
198.12114	8.5
213.94261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.16846	0.3
55.01737	0.5
59.01245	1.1
61.98701	1.0
65.00207	0.4
69.03326	0.9
69.76152	0.3
70.80345	0.4
70.80673	0.8
71.04898	1.0
83.01276	0.4
83.04900	0.4
94.04159	0.4
95.01264	0.8
95.04907	0.5
97.06468	16.5
98.06815	1.0
99.08035	4.5
109.02822	0.9
109.06450	0.6
111.08022	0.7
116.92756	1.7
121.02832	1.1
122.02382	0.3
122.03650	2.1
123.00785	3.1
123.04367	0.4
125.02325	1.2
125.09616	1.0
126.03119	1.3
126.90395	0.7
129.89558	0.3
137.02347	0.7
137.09637	2.4
138.03120	0.9
139.00237	0.5
151.11208	0.7
153.05467	0.8
153.12762	100.0
154.13107	8.0
154.91211	0.5
156.05606	0.4
160.84103	3.8
162.83832	9.2
166.99774	2.4
171.06746	0.6
178.89247	0.4
179.03473	0.6
179.10701	22.5
180.10992	1.8
182.02138	4.4
196.98375	0.6
197.00552	0.5
197.02107	0.8
197.04471	1.4
197.08156	0.8
197.11752	7.2
197.13513	0.4
197.15434	0.7
197.80737	5.9
198.12155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.00188	3.3
57.03312	2.1
59.01237	5.6
61.98692	3.5
64.84359	1.6
65.00185	2.3
65.01310	7.6
65.01614	1.6
65.99709	1.9
69.03331	4.7
69.52027	12.8
71.01257	2.6
71.04892	92.8
72.05214	1.8
80.96379	2.8
80.99680	2.5
83.01272	2.5
83.04888	3.5
85.06464	3.0
89.01337	2.6
90.00861	2.2
91.02883	2.1
95.01261	7.4
97.02817	2.7
99.04362	1.8
103.27057	1.9
105.04449	2.7
106.03991	3.5
109.02837	3.5
109.06465	2.7
111.00765	2.0
111.04420	2.0
112.03947	3.2
115.03941	2.1
116.92750	5.0
121.02849	4.0
123.00751	17.6
125.02332	5.6
125.09609	3.0
126.90380	2.4
130.04012	4.9
131.03513	2.9
136.98712	4.3
137.02341	3.4
138.03116	3.4
139.00241	3.3
139.03812	1.8
142.01389	1.9
143.03448	1.9
144.05496	2.2
153.01880	3.7
153.05432	2.7
153.09116	3.3
153.12750	30.6
154.91240	2.3
156.05579	7.0
157.05095	7.3
158.05879	2.2
158.66985	1.9
160.84138	5.0
161.24135	1.8
162.83824	12.9
166.99792	17.8
169.01398	4.7
169.12259	13.3
170.03462	3.0
170.07098	4.5
171.06680	16.5
179.03404	4.2
182.02119	37.2
183.02611	2.1
197.00790	5.1
197.04469	11.9
197.06017	4.8
197.08138	6.6
197.11763	100.0
197.80734	6.1
198.07823	9.7
198.12088	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	197.0081
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
53.00190	23.8
59.98390	1.2
65.00195	24.3
67.01757	4.2
68.99677	3.3
69.03317	2.0
71.55676	1.1
71.59105	0.7
79.01778	1.3
80.99687	73.2
81.03318	2.5
82.00025	2.4
82.00472	2.0
83.01266	4.8
85.02811	1.7
92.99697	8.6
93.03336	2.6
95.01259	26.6
96.01617	0.8
96.99190	15.8
97.02821	10.7
97.99956	2.9
99.00732	2.8
108.99190	21.2
109.02847	4.1
110.00011	9.2
110.02374	1.8
111.00759	20.8
120.99143	1.1
121.02817	3.1
122.00010	0.8
123.00770	4.7
123.48016	0.9
124.98656	2.5
125.02324	10.7
125.99498	2.6
127.00258	1.5
129.86691	0.7
136.98705	76.1
137.02281	4.3
137.99130	3.6
138.01868	1.7
138.03117	2.3
139.00282	12.1
139.03893	1.5
141.01813	2.6
143.03459	0.9
151.00249	1.6
152.00864	0.9
152.98140	0.9
153.01828	11.9
153.05470	3.1
153.98973	9.5
154.02574	2.0
154.99763	4.2
155.03418	3.0
157.05148	1.1
162.79852	0.8
164.98193	6.7
165.01836	1.9
165.98990	41.0
166.01247	1.7
166.99762	2.8
169.01329	79.1
170.01700	4.9
179.03401	3.0
181.01328	5.0
181.98494	2.4
182.02126	6.5
182.99295	1.9
197.00839	100.0
197.04507	8.7
197.08156	1.5
197.11801	2.9
198.01418	9.2
198.03983	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	195.1382
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.65171	0.2
51.15420	0.2
56.21532	0.2
59.01237	0.6
59.24478	0.2
61.98699	1.1
62.33778	0.2
67.01768	0.2
71.36269	0.3
93.03304	0.3
96.95887	0.7
99.08064	0.2
109.06468	3.9
110.37198	0.2
111.08038	3.6
122.03590	0.4
123.00744	0.3
123.04376	0.4
125.09572	0.6
135.11636	0.4
136.05165	0.4
138.06772	0.6
139.07539	0.4
147.67372	0.2
150.03111	0.8
151.07487	0.3
151.11191	0.6
152.91663	4.0
152.94382	0.4
160.84109	6.2
165.01883	0.4
165.05507	0.3
165.12767	0.3
167.14319	6.5
167.90349	1.4
168.14684	0.7
170.92798	0.3
179.10693	4.8
180.04210	0.5
180.11357	0.7
185.38438	0.2
194.92787	1.8
194.95638	0.3
194.97493	0.9
195.13824	100.0
195.81041	2.5
196.14157	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	193.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49863	8.9
50.60700	9.6
53.66680	10.7
54.73444	9.9
55.01759	15.3
59.01248	35.9
59.06447	9.1
69.03329	22.6
71.01254	79.6
71.56214	20.0
72.99184	14.4
73.02817	56.8
83.01243	31.7
84.02039	10.0
85.02825	80.8
87.00754	67.6
90.38694	10.3
95.01283	13.2
96.95876	17.9
97.02840	33.3
99.00784	55.9
101.02322	64.8
113.02317	12.1
121.02827	14.5
123.04393	18.8
125.02306	33.6
130.99168	10.5
131.00215	11.3
134.03589	41.5
137.02399	10.3
141.01843	21.7
149.05901	15.1
155.03297	10.7
161.04454	94.5
164.62192	9.5
165.05499	11.6
178.02612	100.0
193.04958	31.5
193.07076	33.2
193.08667	23.9
214.43701	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	193.05
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
55.94407	0.2
59.01245	0.7
62.76371	0.2
68.99667	0.2
69.03320	0.2
69.41227	1.6
71.01260	1.1
73.02833	0.8
83.01265	0.4
85.02834	1.0
87.00745	0.4
93.03345	0.7
95.01279	0.5
97.02806	0.3
99.00772	0.6
101.02313	1.2
106.04115	0.6
109.02822	0.4
109.04005	0.2
111.00754	0.6
113.02303	0.3
121.02843	2.6
123.00759	0.3
123.05526	0.3
133.02846	16.3
134.03641	15.9
135.03911	1.0
136.01505	0.2
137.02336	14.6
138.02660	0.8
139.03900	5.3
149.02321	0.5
149.05952	0.5
150.03127	1.8
155.03459	0.2
161.02344	27.2
161.04265	1.7
162.02696	1.7
163.03897	0.3
165.01842	0.6
166.06133	0.3
171.60359	0.2
178.02634	6.0
179.03023	0.3
193.04982	100.0
194.05319	7.7
213.57863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28173	0.2
54.20988	0.2
57.03328	0.4
57.49753	0.2
59.01254	0.7
64.51015	0.2
65.01309	0.3
65.99724	0.3
68.01278	0.3
69.03333	0.4
70.40386	0.8
71.01239	1.5
73.02807	1.2
82.03983	0.4
83.01225	0.4
85.02806	1.4
87.00759	0.9
89.03837	2.1
93.03350	0.8
93.47573	0.2
96.51591	0.2
97.02856	0.4
97.03960	0.4
99.00745	1.0
101.02325	1.5
106.04091	1.3
108.04484	0.3
109.02840	0.3
111.00771	0.5
113.02364	0.3
117.03339	4.2
121.02844	1.5
122.03500	0.3
123.00761	0.3
123.05552	0.4
125.02298	0.3
133.02888	1.3
133.03786	0.3
134.03624	100.0
135.03957	5.5
137.02333	4.3
137.03334	0.4
139.03969	1.1
139.04893	0.3
141.01845	0.4
143.03448	0.2
149.02319	0.4
149.05980	7.0
149.09586	0.3
150.03110	0.8
150.06433	0.6
151.05078	0.4
151.06212	0.3
161.04460	2.6
166.06093	0.5
167.03561	0.3
178.02626	16.4
179.03021	1.4
192.99803	0.3
193.01379	0.9
193.04988	11.3
193.07072	1.5
193.08679	0.5
194.05315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.05
Annotation	ferulic acid
Peak:m/z	Relative Intensity
56.90276	0.3
58.02862	0.4
59.01237	1.1
65.01379	0.4
69.03342	0.5
69.40027	0.4
70.39356	0.6
70.39742	0.8
71.01260	1.6
73.02818	1.1
73.69664	0.5
79.01747	0.5
82.03986	0.4
83.01251	0.6
85.02814	1.7
87.00757	1.2
93.03326	3.2
93.26849	0.4
95.01283	0.5
97.02840	0.5
99.00746	1.0
101.02309	1.5
106.04095	1.3
107.04915	0.4
108.01967	0.4
108.04424	0.4
109.02848	0.8
111.00765	1.1
117.03368	0.5
121.02836	4.9
125.02321	0.6
133.02852	6.2
134.03632	100.0
135.03954	6.5
136.01631	0.4
137.02348	20.6
138.02687	1.0
139.02899	0.3
139.03922	6.9
139.05029	0.3
141.01761	0.6
149.02322	1.5
149.05986	21.8
150.03104	2.2
150.06323	1.5
161.04475	2.7
163.00218	0.4
165.01859	1.2
167.91478	0.4
178.02634	64.0
179.03001	4.6
192.99535	1.9
193.01324	1.4
193.04996	27.2
193.06984	1.6
194.05370	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	193.0499
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.07145	0.4
59.01251	1.3
64.03130	0.4
69.87297	2.5
71.01257	1.9
72.99185	0.5
73.02802	1.8
75.93399	0.5
85.02823	1.8
87.00740	1.0
89.03842	3.8
93.03317	1.8
97.02779	1.0
99.00759	1.0
101.02344	2.6
106.04131	1.0
111.00685	0.7
113.05576	0.5
117.03349	6.2
121.02856	1.7
123.00758	0.6
125.02283	0.6
125.38601	0.5
127.81498	0.5
133.02863	2.1
134.03630	100.0
134.22942	0.5
135.03963	5.0
137.02357	6.5
139.03914	1.8
141.01874	0.8
145.58551	0.5
149.02283	0.9
149.05991	8.2
150.03061	0.9
161.04440	3.0
163.00244	1.0
165.01866	0.7
178.02638	23.7
179.02995	1.8
193.01363	1.3
193.04996	15.1
193.07030	1.3
193.08635	0.6
194.05290	1.6
199.12521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.2
59.01230	0.4
65.99706	0.1
68.01297	0.2
70.01968	0.7
71.01248	0.6
72.69271	0.1
73.02822	0.4
75.55524	0.2
82.03989	0.2
83.01264	0.2
85.02807	0.5
87.00737	0.3
89.03326	0.3
89.03838	3.2
90.04216	0.2
90.71463	0.1
91.05414	0.2
93.03383	0.2
97.02805	0.2
98.02367	0.2
99.00755	0.3
101.02325	0.8
106.04133	0.9
111.00763	0.2
117.03342	5.0
118.03669	0.5
121.02816	0.3
124.74696	0.2
125.02303	0.3
133.02844	0.4
134.03630	100.0
135.03970	6.2
137.02333	1.0
139.03903	0.3
149.06006	2.1
149.09671	0.3
150.03088	0.2
150.06314	0.2
157.19608	0.2
161.04465	0.6
161.05669	0.1
166.06104	0.2
172.63428	0.2
173.42126	0.2
178.02625	4.0
193.01338	0.3
193.05014	5.4
193.07072	0.5
193.08720	0.2
194.05345	0.7
204.23642	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	191.0553
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
52.65770	0.4
53.87119	0.4
57.03322	7.9
58.39856	0.5
59.01250	6.2
59.56092	0.5
62.60032	0.5
67.01755	4.2
69.03320	1.5
71.01245	4.3
71.05475	0.6
72.99177	1.8
73.02817	2.7
76.18772	0.5
78.14857	0.5
81.03329	2.1
83.01274	0.8
83.04904	2.2
85.02821	69.8
86.03156	1.5
87.00748	46.5
88.01088	1.2
93.03329	12.8
99.00723	1.0
99.04388	1.7
101.02342	0.9
109.02821	3.7
111.00762	74.0
111.04381	3.4
112.01112	3.7
112.98694	0.6
115.00278	0.6
117.01803	1.1
120.46136	0.5
127.03903	7.0
129.01845	4.2
133.01335	1.4
147.02888	0.6
150.35399	0.5
154.99773	0.9
155.03368	0.6
171.02943	2.1
173.00786	1.5
173.04466	2.7
179.53891	0.4
191.01976	5.2
191.05537	100.0
192.05885	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	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03084	0.2
57.03317	2.3
59.01029	0.2
59.01247	1.7
62.72599	0.2
65.01302	0.5
65.99717	0.5
67.01761	1.1
69.03308	0.3
71.01241	0.9
72.63840	0.3
72.99173	1.0
73.02808	1.0
75.95655	0.2
81.03353	0.3
81.04436	0.2
83.01281	0.2
83.02370	0.4
83.04858	0.3
85.02821	17.8
85.94002	0.2
86.03162	0.6
87.00749	19.4
88.01089	0.5
91.01746	0.2
91.05365	0.2
93.03340	2.3
95.01279	0.3
99.00745	0.3
101.02312	0.5
103.03855	0.4
104.02528	0.5
105.03314	0.3
106.03963	0.2
109.02831	0.7
111.00761	38.1
111.04407	0.5
112.01119	1.7
113.02333	0.4
117.01840	0.6
117.03378	0.2
118.99187	0.8
119.04912	2.3
121.02840	100.0
122.03172	5.4
123.61852	0.2
127.03885	1.1
129.01845	2.7
130.99702	0.3
133.02841	0.4
133.04005	0.2
133.05029	0.2
135.04396	0.6
147.04414	6.9
148.01552	0.3
148.04845	0.9
149.08267	0.3
154.99763	0.5
163.00340	0.3
163.03926	0.8
164.04559	0.4
171.02907	0.4
173.00861	0.9
173.04536	0.5
175.55832	0.2
176.01073	2.0
191.01883	3.6
191.03493	8.7
191.05569	23.7
191.10640	2.4
192.03847	0.7
192.05981	1.3
193.45271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.0
59.01247	1.4
63.35112	0.1
67.01762	2.3
69.03333	0.3
69.43184	1.1
69.43603	0.6
71.01247	0.9
72.99179	0.7
73.02805	0.8
81.03342	0.3
83.01236	0.4
83.04887	0.3
85.02821	35.2
86.03165	1.0
87.00748	48.3
88.01085	1.3
93.03323	1.8
97.02886	0.2
98.19701	0.3
99.00790	0.3
99.04383	0.3
101.02323	0.5
103.03856	0.6
109.02854	0.5
111.00760	100.0
111.04371	0.7
112.01101	4.6
112.98661	0.4
116.35796	0.2
117.01819	0.4
127.03897	1.4
129.01830	5.7
130.02161	0.3
130.99748	0.9
133.01318	0.5
147.02885	0.3
154.99809	1.0
171.03035	0.2
173.00833	1.8
173.04486	0.7
191.01912	10.1
191.05528	35.2
192.02252	0.5
192.05896	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	188.1107
Annotation	8-Methylthiooctanaldoxime
Peak:m/z	Relative Intensity
56.65726	0.6
56.93903	0.6
57.03325	0.7
59.01245	1.1
59.56096	0.7
59.99010	0.7
60.97410	4.5
65.01312	1.6
65.99715	1.5
69.27114	2.7
69.27536	3.4
82.03992	0.8
91.02899	0.8
100.07552	2.9
105.04450	1.4
105.06794	0.6
106.03958	1.7
115.28863	0.7
118.04010	0.6
119.02406	1.0
119.40934	0.6
120.05563	0.9
124.11227	0.9
126.09950	0.9
126.12774	18.6
127.13124	0.9
129.57373	0.7
130.36023	0.7
134.03465	1.2
136.76892	0.7
145.05043	0.8
146.03487	1.1
147.06683	1.1
148.05048	1.0
160.11577	10.9
161.04512	0.9
162.06642	0.8
167.58212	0.9
170.11815	4.5
188.11073	100.0
189.05522	1.4
189.07660	0.7
189.11403	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	7.2
59.01248	3.9
61.07288	1.5
67.01749	4.0
68.92815	1.4
71.19584	1.9
71.19919	2.1
72.99181	2.0
83.01267	1.7
85.02821	46.8
86.03176	2.0
87.00747	56.9
88.01155	1.6
93.03325	6.1
111.00758	100.0
112.01081	2.5
117.01829	1.9
127.03864	3.5
129.01834	4.3
171.02837	1.9
173.00882	3.6
191.01894	6.1
191.03740	3.1
191.05533	53.0
192.05864	4.6
198.67444	1.5
203.05698	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	187.0968
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
53.64690	0.3
57.03325	3.7
58.02839	0.6
59.01258	0.6
61.15474	0.3
61.54295	0.3
65.01311	3.1
65.99717	1.3
66.00833	0.5
67.01946	0.3
69.03320	0.7
71.01251	0.4
71.10049	0.8
73.02816	0.6
77.01332	0.3
79.02889	0.4
83.04896	1.1
89.01300	0.4
91.02899	1.0
92.02410	0.4
92.19402	0.3
95.04910	0.8
97.06461	12.2
98.06783	0.4
98.98339	0.3
99.00782	0.5
106.03987	0.8
107.02391	0.6
116.02425	0.5
117.04491	0.6
118.04012	1.1
119.02394	1.5
120.05569	0.7
121.05067	0.6
122.03460	0.6
123.08041	6.9
124.08389	0.6
125.09610	100.0
126.09945	5.7
130.04022	1.2
132.05589	0.5
133.03990	2.6
133.04924	0.6
134.03459	0.9
142.04089	0.7
143.10696	1.8
144.04401	0.7
144.05502	0.6
145.02740	0.4
145.04015	0.5
145.05103	1.2
146.03474	1.1
147.04254	1.1
157.05083	0.5
159.04434	0.3
159.06680	0.5
160.03860	0.6
160.05057	5.0
160.06232	0.5
161.04575	1.0
169.08640	2.5
186.95578	0.4
187.06219	4.0
187.09680	43.8
187.13269	1.2
188.03300	0.6
188.05800	0.5
188.10027	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	187.0239
Annotation	(Z)-But-2-ene-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
51.89818	2.9
53.00176	2.9
55.01751	9.7
57.03320	10.4
58.02843	20.6
59.01251	21.3
65.00195	5.0
68.99684	36.3
69.03333	7.1
70.85159	4.2
70.85485	6.2
71.01253	85.0
71.04916	4.0
72.00794	4.9
72.04432	4.5
72.99179	14.8
73.02819	14.2
75.00749	11.2
79.95599	6.9
80.96387	6.8
81.03336	11.3
83.01251	38.1
85.02831	13.8
86.05975	6.0
87.00755	6.2
87.92406	10.3
88.03903	5.2
89.00542	3.8
89.02318	10.1
96.04435	6.4
96.99204	16.0
97.02827	9.0
97.06447	5.9
97.99975	7.3
98.02353	100.0
99.00754	87.8
99.04398	11.9
100.03918	7.4
100.07533	3.8
101.02318	7.5
101.07072	4.5
102.05490	25.4
103.00230	4.4
103.91923	6.2
111.00780	8.5
112.03937	9.1
112.93612	31.4
112.98634	4.0
114.05489	82.4
115.71183	3.7
116.03414	37.8
116.07067	15.6
117.01823	6.8
120.13813	3.6
120.23915	4.6
123.94521	15.2
124.03951	12.5
124.98695	7.1
125.02328	44.9
125.07117	4.5
125.09611	57.7
125.99490	6.3
126.05516	14.1
127.00266	49.2
127.05008	9.9
128.03435	23.9
129.01851	10.8
133.77216	3.7
142.04994	81.4
142.99773	15.8
143.03391	6.7
143.04539	8.6
144.02916	40.2
144.06566	41.4
145.01254	5.7
145.06093	5.4
146.08162	4.5
154.99788	11.1
157.01366	9.5
168.96233	13.1
169.01344	24.7
170.04482	4.7
186.97375	8.3
187.02347	47.8
187.03633	3.7
187.09644	21.5
187.13254	5.3
188.03758	4.8
188.05551	54.5
188.09196	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	183.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24714	0.3
65.00188	0.4
67.01786	0.7
68.99686	0.7
69.67845	0.3
71.01233	0.7
71.19475	0.3
71.19812	0.8
72.99185	0.4
78.01003	0.4
82.00516	0.4
83.01262	0.6
87.00724	0.4
95.01239	0.5
109.06039	0.4
109.99999	1.0
111.00754	6.6
123.00757	1.0
123.08049	0.3
124.01572	5.6
127.00261	2.4
136.98708	4.3
137.99222	0.3
139.00270	6.8
140.01062	10.3
141.01453	0.6
146.94455	0.3
151.00183	0.4
154.99791	0.8
168.00554	13.8
169.00964	0.9
178.37648	0.3
183.02905	100.0
184.03241	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	183.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13506	0.4
57.41440	0.5
62.23021	0.5
65.00191	1.0
67.01757	1.1
68.99673	1.1
69.41158	3.9
71.01242	1.1
71.34439	0.5
72.09520	0.4
72.99129	1.0
80.75537	0.4
82.00484	0.6
83.01261	1.5
85.99979	0.5
87.00732	0.9
89.49506	0.5
95.01260	0.8
109.99991	1.5
111.00063	0.8
111.00761	10.2
112.98654	0.6
114.15936	0.4
123.00755	1.5
124.01558	8.5
127.00241	3.2
136.98691	7.7
139.00258	11.2
140.01060	15.5
141.01305	0.5
151.00237	1.3
154.99760	1.8
166.31847	0.5
168.00557	21.1
169.00870	1.0
183.02902	100.0
184.03255	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	183.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67014	0.3
55.01741	0.3
65.00192	0.8
67.01752	0.6
68.51347	0.3
68.99670	0.6
69.62959	0.8
69.63389	0.9
71.01250	0.8
71.38979	0.3
72.99180	0.8
82.00475	0.5
83.01264	0.9
86.72601	0.4
87.00758	0.5
95.01275	0.6
96.99172	0.3
101.75088	0.3
101.90526	0.3
104.23328	0.3
109.99946	1.6
111.00754	6.7
111.01476	0.5
112.01140	0.4
123.00746	1.5
124.01577	5.9
127.00257	3.5
136.98705	5.1
139.00270	7.4
139.03929	0.3
140.01059	12.2
141.01472	0.5
151.00282	0.6
154.99774	1.2
168.00557	15.8
169.00891	0.8
183.02908	100.0
184.03239	6.4
197.11296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0552
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
51.48684	0.7
55.01750	1.4
57.03311	1.8
58.00468	6.4
59.01248	100.0
60.01582	1.9
65.00206	1.4
69.03339	1.4
70.85051	2.0
70.85386	1.4
71.01251	96.4
71.04895	2.2
72.01589	2.4
72.99181	11.6
73.02818	8.5
75.00744	65.1
76.01083	1.7
81.03321	4.1
83.01260	3.6
85.02823	12.2
87.00747	28.8
89.02313	39.2
90.02650	1.5
90.98464	2.9
91.02107	1.3
95.01262	3.1
96.95869	2.3
97.02833	2.5
99.00758	6.4
99.04370	1.0
101.02333	8.0
109.02911	0.9
113.02327	6.8
117.01846	3.9
125.02341	4.0
131.03397	1.2
133.13254	0.9
135.04404	2.6
141.01846	1.4
143.03403	6.3
151.07593	1.6
161.04453	16.6
162.04749	0.9
164.01045	1.3
177.03966	1.1
179.05533	49.1
179.06934	2.5
180.05911	2.6
194.49364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.029
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.01729	0.4
57.42745	0.4
61.84918	0.4
65.00185	1.1
67.01768	0.9
68.99669	1.0
70.55205	0.4
70.57247	1.2
71.01233	1.6
72.99170	1.4
82.00468	1.1
83.01247	1.7
84.99191	0.4
87.00752	0.7
95.01244	0.7
99.00732	0.7
110.00000	2.0
111.00768	9.5
112.01080	0.5
113.10725	0.4
123.00751	1.7
124.01566	7.5
127.00247	4.5
128.00696	0.4
136.98714	6.7
139.00264	10.2
139.03909	0.5
140.01057	16.7
140.02150	0.9
141.43111	0.4
150.13567	0.4
151.00255	0.6
154.99757	1.4
168.00560	22.8
169.00908	0.9
183.02907	100.0
184.03250	6.4
204.13181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	0.6
66.94402	0.5
67.01760	0.8
70.15897	2.3
71.01280	0.5
72.99178	0.9
82.00410	0.5
83.01266	1.3
109.99976	1.5
111.00760	7.9
123.00825	1.0
124.01572	6.9
127.00262	2.8
136.98708	6.5
139.00284	6.8
140.01065	12.2
140.50217	0.5
151.00255	0.7
154.99748	0.9
168.00545	16.1
169.00972	0.6
183.02907	100.0
184.03244	7.0
186.00064	0.5
193.86981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0342
Annotation	Aspirin
Peak:m/z	Relative Intensity
55.01747	0.8
56.92381	0.3
57.03311	1.0
58.00104	0.3
58.90584	0.3
59.01248	5.7
61.56691	0.3
65.01308	0.5
65.99721	0.7
68.99679	0.4
69.03326	1.7
71.01252	8.9
72.99167	0.9
73.02809	3.2
75.00737	0.8
81.03355	0.5
81.03998	0.3
83.01257	2.0
85.02821	6.2
87.00748	28.2
88.01080	0.9
89.02314	2.6
89.03862	0.5
91.05399	0.4
93.03340	0.9
94.02807	0.5
95.01251	0.9
95.04877	0.4
97.02823	2.4
98.20667	0.5
99.00754	7.0
101.02308	3.7
107.04911	2.2
108.02023	0.6
108.04410	0.4
109.02828	1.4
109.03996	0.6
110.03517	0.5
111.00711	0.4
111.01923	0.3
113.02332	1.4
117.01816	5.3
117.03313	0.8
118.03987	0.4
120.02014	0.3
121.02810	1.1
123.00810	0.5
125.02333	4.4
129.01848	0.9
134.03633	5.9
135.04413	100.0
136.01567	0.4
136.04742	6.7
137.03441	0.4
141.01804	2.7
149.02348	1.2
151.00255	0.4
151.03825	0.5
151.07558	1.3
159.02902	1.6
161.04459	18.0
162.04800	0.4
164.01074	1.6
164.04718	1.3
166.26106	0.4
177.04022	0.8
178.99695	0.5
179.01852	0.9
179.03427	16.9
179.05536	20.3
179.07031	2.7
179.10786	0.4
180.03781	1.0
180.05873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73346	6.6
59.01248	40.8
59.21970	6.5
64.64953	8.3
68.99668	10.9
71.01255	35.8
71.20130	18.9
72.99155	14.4
75.00732	14.3
82.66024	7.5
87.00761	45.7
99.00751	11.0
100.98676	100.0
115.00275	29.1
115.03925	12.5
124.98678	12.1
127.97417	98.3
142.99794	17.3
147.04425	8.6
175.03836	12.9
175.06062	14.1
176.03336	13.0
178.01152	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	175.0604
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
57.03334	1.1
59.01260	6.7
62.99754	0.9
65.01308	1.8
68.38091	1.1
70.70543	2.0
70.70917	2.0
71.01268	2.2
72.99171	1.3
75.00711	1.5
85.02813	1.6
85.06460	43.4
86.06801	1.7
87.00749	3.9
87.04391	2.6
105.04517	1.0
106.03971	1.1
113.05967	42.3
114.06330	2.1
115.00251	3.1
115.03895	100.0
116.04230	4.8
120.49339	1.0
122.24197	1.1
129.05510	1.4
131.07011	9.1
133.04945	1.1
147.04446	1.4
148.05072	1.5
157.04979	8.6
171.89131	1.1
173.27412	1.0
175.03867	2.9
175.06052	52.5
175.07368	2.1
176.03423	2.9
176.06383	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	177.0396
Annotation	2-Deoxy-5-keto-D-gluconic acid
Peak:m/z	Relative Intensity
55.01751	6.9
57.03316	5.5
59.01255	55.0
68.99660	7.3
69.03323	3.4
69.54382	24.9
71.01251	100.0
72.01589	3.2
72.99178	39.4
73.02830	23.4
75.00749	70.1
76.01145	3.0
77.09187	3.6
80.78496	2.9
85.02832	12.9
87.00754	90.8
89.02326	18.5
95.01295	3.1
99.00745	42.5
101.02322	8.0
105.01809	23.5
111.00744	8.9
112.16094	3.4
117.01836	14.1
129.01817	14.1
147.02806	3.3
147.17917	3.3
162.03125	5.3
177.04082	4.2
181.59908	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14260	1.4
55.01752	5.9
57.03307	8.3
58.02852	2.4
58.58007	1.5
59.01252	7.9
60.99166	2.3
63.06040	1.7
67.01760	16.7
68.99689	4.6
69.03331	3.6
69.53345	11.3
71.01251	100.0
72.01579	1.9
72.99189	10.6
73.02814	30.9
75.00766	2.8
78.96106	1.5
78.96605	1.6
81.03320	4.9
83.01250	10.7
83.04883	11.4
85.02818	25.3
87.00724	3.7
88.03899	3.1
93.03332	89.9
94.03680	3.4
96.99184	3.1
98.20496	3.8
99.00755	34.9
99.01350	2.9
99.04383	7.4
100.98689	1.9
101.02305	4.2
109.02792	2.3
109.06433	2.0
111.00763	73.6
111.04404	19.4
111.08024	7.6
112.01105	3.1
112.98689	28.9
115.00249	7.8
124.98695	25.2
127.38955	1.5
129.01817	5.8
129.09105	2.3
137.02344	13.0
140.98236	1.9
142.99757	50.0
144.00121	2.3
145.01347	2.5
154.99751	6.9
155.03378	4.5
158.64922	1.7
168.53528	1.6
173.00842	11.0
173.04485	12.0
173.08034	3.7
173.11685	2.4
174.04051	1.8
174.07646	2.0
188.19652	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00182	1.7
55.01760	7.0
55.70436	1.2
57.03313	7.1
58.02846	15.6
59.01243	9.5
67.01744	9.6
68.99669	2.5
69.47923	10.3
71.01250	78.0
71.04883	1.8
72.01572	1.8
72.99187	7.9
73.02809	17.5
73.03114	1.4
80.99692	1.9
81.03333	1.3
83.01224	10.4
83.04897	5.7
85.02821	47.4
86.03128	1.4
86.05995	5.1
87.00755	5.3
93.03331	27.8
96.99168	3.5
99.00759	22.2
99.04391	3.8
100.07548	15.0
100.08055	1.4
101.02336	2.4
104.80304	1.4
111.00759	100.0
111.04409	8.5
112.01102	4.5
112.98686	50.6
115.00249	6.0
124.98696	20.8
128.07062	30.2
129.01828	7.4
132.06561	5.7
137.02325	4.9
137.47168	1.7
140.98198	2.7
142.99762	51.9
144.00117	1.6
154.99779	6.7
155.03416	2.8
173.00835	10.0
173.04478	4.8
174.07611	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00179	1.4
55.01758	4.1
57.02019	0.5
57.03326	5.2
58.00458	1.4
58.02850	6.6
59.01246	11.2
60.99165	1.9
65.03814	0.6
66.71815	0.5
67.01756	9.4
68.99693	3.1
69.03320	2.3
70.07014	1.7
71.01250	100.0
72.01586	2.6
72.01929	0.5
72.99175	10.4
73.02818	18.9
75.00733	1.8
80.99680	1.1
81.03329	2.2
83.01253	14.8
83.04890	6.1
85.02819	10.2
85.06462	1.4
86.05969	2.8
87.00751	7.2
88.03938	0.5
93.03333	48.0
94.03665	1.5
95.21633	0.6
96.99179	3.6
99.00753	30.8
99.04395	4.3
100.01080	1.1
100.07555	8.2
100.98677	2.8
101.02323	1.5
101.93877	0.5
109.02853	1.2
111.00761	33.9
111.04404	12.6
111.08029	5.3
112.01105	1.1
112.98689	51.7
113.02316	1.1
113.99031	1.8
114.05495	0.9
115.00252	8.6
124.98689	19.0
125.99527	0.8
127.00271	1.0
128.07063	17.4
129.01878	2.7
129.05490	1.4
132.06564	3.3
137.02350	5.6
140.98190	1.6
142.99759	50.7
144.00084	2.4
145.01337	1.6
154.99779	4.0
155.03394	3.5
158.99283	0.8
172.83035	1.9
173.00841	8.6
173.02267	0.8
173.04521	6.9
173.08113	4.7
173.11711	1.1
174.01599	1.6
174.05431	1.1
174.07622	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	172.0971
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02845	1.2
64.79701	0.2
65.01318	0.6
67.01751	1.4
69.03313	0.4
71.01255	0.7
71.32452	0.4
73.02837	1.0
74.13197	0.2
81.03333	0.3
82.06472	0.5
83.04873	0.4
85.02850	0.3
89.01322	0.4
93.03327	6.1
99.00743	0.3
111.00755	0.4
111.04425	1.2
111.08009	0.6
116.02420	0.3
118.04028	0.3
118.87928	0.3
119.02374	0.3
128.10696	2.5
130.08627	100.0
131.08971	4.9
143.03473	0.3
144.04428	1.0
145.02846	0.3
145.05061	1.0
146.03499	0.7
172.03877	0.4
172.06247	0.4
172.09697	9.4
173.04593	1.5
173.05833	0.3
173.08092	0.5
173.10033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.097
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
53.00801	0.2
53.65462	0.2
55.33585	0.2
57.03344	0.4
58.02848	1.7
59.01272	0.8
60.07671	0.2
60.99169	0.4
65.01310	1.4
65.99733	0.3
67.01756	2.6
69.03355	0.6
70.14291	0.2
71.01256	1.7
72.99192	0.3
73.02832	2.1
75.00754	0.4
81.03329	0.4
82.06493	0.3
83.01278	0.2
83.04900	1.1
85.02847	0.6
89.01339	0.4
90.00871	0.4
91.02923	0.3
93.03332	13.5
95.24547	0.2
95.73473	0.2
97.28564	0.2
98.20538	0.9
99.00778	0.5
99.04433	0.5
106.04021	0.7
109.02871	0.2
111.00750	1.0
111.04400	2.4
111.08034	1.2
116.02480	0.2
116.04936	0.2
118.03970	0.4
118.26933	0.2
119.02405	0.8
127.11135	0.3
128.10695	2.4
129.01801	0.3
129.10983	0.2
130.03993	0.8
130.08627	100.0
131.03558	0.7
131.08986	4.9
135.38286	0.2
137.02309	1.0
143.03444	0.4
144.04439	2.0
145.01384	0.4
145.02789	0.6
145.03969	0.5
145.04991	1.1
146.03532	1.5
154.08691	0.2
155.03369	0.6
172.02499	0.2
172.03862	0.9
172.06267	1.2
172.09666	11.0
173.02272	0.5
173.04530	3.8
173.08047	1.0
173.09976	0.6
173.11636	0.5
192.02466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28474	0.3
57.03291	0.4
59.01242	0.9
61.98691	0.4
69.73766	2.0
69.74186	0.6
71.01233	0.5
83.04894	0.5
88.98675	0.6
89.02319	1.5
90.33073	0.4
96.95863	0.5
99.00723	1.2
99.08014	1.2
99.92403	0.5
109.06493	0.8
112.04010	0.4
123.08063	0.5
125.09606	3.3
127.02810	0.5
127.07547	1.8
127.11171	7.2
128.11482	0.7
130.08606	1.1
144.04446	3.8
153.09102	1.5
170.88298	0.4
171.01903	6.5
171.10178	100.0
172.02406	0.6
172.03929	1.2
172.10529	8.3
181.93344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
58.02848	0.9
59.01246	2.4
65.00208	0.7
65.00981	0.8
65.01315	12.4
65.99711	1.0
66.00845	0.8
68.99678	0.7
69.03306	0.6
71.01257	0.9
71.56535	0.5
72.99167	0.5
79.02866	0.5
81.03288	0.4
81.04469	2.0
82.02889	0.5
83.01262	1.1
83.04905	0.8
85.02811	0.6
87.00758	0.4
89.01322	5.9
89.02312	0.3
89.47674	0.4
90.00854	0.6
90.01712	0.5
91.02886	0.8
92.42702	0.4
95.01265	0.5
95.88055	0.4
97.06415	0.7
98.43758	0.4
99.00762	1.9
99.08027	1.7
99.92462	0.6
101.01350	0.5
103.02899	0.7
105.04450	4.5
106.04018	3.2
106.04701	0.7
109.02824	0.8
109.06481	1.5
111.00736	1.2
115.91946	2.1
116.02397	0.6
116.04913	0.5
117.04467	0.7
118.02886	0.7
118.03967	1.1
120.05524	0.5
123.08051	0.4
125.05902	0.5
125.09612	3.2
127.02814	0.7
127.03866	0.5
127.07561	3.5
127.11160	7.4
128.11578	0.5
129.03186	1.0
129.04469	1.8
130.02980	0.7
130.04001	6.7
130.08658	2.5
131.03546	0.7
143.03442	0.6
144.01910	1.6
144.03189	0.6
144.04420	4.6
144.05569	8.3
145.03960	2.0
145.05101	2.3
153.09142	2.4
156.00565	0.5
156.04297	0.5
171.01836	7.0
171.03026	1.3
171.06712	16.0
171.10172	100.0
171.13805	2.4
172.04056	2.3
172.05043	2.3
172.06093	3.4
172.10538	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	171.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.4
57.03320	1.2
59.01250	2.0
65.00202	2.4
65.01318	2.6
67.01762	12.0
68.99690	7.7
70.95341	2.0
71.01264	4.5
71.04908	3.5
72.99207	1.7
73.02823	1.6
79.43616	1.0
81.03336	3.1
82.61332	1.0
83.01253	28.3
83.04896	1.3
84.01579	1.5
84.02048	2.2
85.02828	2.7
89.01309	1.7
95.01284	4.0
97.02855	5.9
99.00760	17.2
99.04409	1.8
100.01118	1.4
101.02367	1.2
109.02856	1.8
109.06510	1.6
111.00763	100.0
112.01627	8.1
113.02330	1.3
115.03924	3.3
125.02352	1.1
125.99648	1.2
127.00283	4.1
127.02890	1.0
127.03910	1.9
127.07588	2.9
127.11182	2.6
128.10638	1.7
130.08632	34.3
139.00278	22.0
143.03400	2.7
144.04472	4.5
144.05557	1.6
152.62915	1.1
153.01833	4.1
171.02943	71.4
171.06644	7.1
171.10161	20.6
172.03421	3.6
172.06195	1.5
172.09737	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	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93258	0.2
55.01762	0.3
59.01243	0.6
61.98700	0.3
65.01286	0.2
68.99708	0.4
69.67675	0.5
69.68080	1.2
71.01247	0.4
81.15549	0.2
83.01222	0.3
83.04896	0.3
85.02854	0.3
88.51992	0.2
89.02307	0.6
96.95882	0.3
97.06490	0.3
99.00751	0.9
99.08033	0.8
99.64635	0.2
99.92452	0.4
109.02831	0.3
109.06462	0.3
111.08115	0.3
123.08015	0.4
125.09608	3.4
127.07529	1.6
127.11170	6.9
128.11505	0.5
128.89964	0.5
130.08661	0.7
144.04500	1.8
144.05453	0.4
153.09116	1.7
170.88289	0.8
171.01880	3.5
171.10181	100.0
172.03944	0.7
172.10533	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57328	0.3
55.01736	0.4
57.03315	0.6
57.57815	0.3
59.01252	1.6
61.98693	1.0
67.85843	0.3
68.99678	0.6
69.03335	0.3
71.01218	0.6
71.36337	0.4
71.36694	0.4
73.02828	0.4
82.90818	0.3
83.01253	0.4
83.04885	0.7
84.04413	0.5
85.02804	0.4
88.98668	0.4
89.02319	1.1
96.95884	0.7
97.06459	0.6
99.00768	1.3
99.04354	0.4
99.08023	0.8
99.92451	1.1
109.02812	0.4
109.06465	0.6
111.00754	0.5
111.08064	0.5
116.04951	0.9
117.00352	0.4
123.08028	0.4
125.02198	0.3
125.09609	3.9
126.87978	0.3
127.02850	0.4
127.03893	0.4
127.07548	2.5
127.11177	7.5
128.11560	0.5
128.89967	1.4
129.99637	0.3
130.08632	1.8
143.04892	0.3
144.04451	5.7
153.09102	1.6
170.88275	1.7
171.01898	7.9
171.10176	100.0
171.13678	3.6
172.02583	0.5
172.03922	2.4
172.06097	0.4
172.10519	8.0
172.14122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02279	0.3
55.01785	0.3
67.01762	1.0
69.03326	8.7
71.04487	0.5
71.04817	0.4
75.91512	0.3
79.01761	1.3
81.03321	3.0
83.01242	0.8
85.02834	0.4
95.01261	1.4
97.02820	5.8
107.01258	1.2
108.02073	0.4
119.41299	0.3
123.00794	0.3
124.01565	2.5
125.02331	100.0
125.99503	0.7
126.02667	4.9
169.01328	17.8
170.01651	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	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13275	0.3
60.47462	0.3
62.16490	0.4
67.01775	0.6
68.99676	0.5
69.03322	7.7
70.03667	0.4
70.63611	0.7
70.63972	0.6
74.68603	0.3
76.63693	0.4
79.01765	1.0
81.03336	2.7
83.01268	0.6
85.02837	0.5
95.01264	1.1
97.02829	5.2
105.50022	0.3
107.01276	1.0
108.26269	0.3
113.02367	0.4
123.00756	0.5
124.01585	2.4
125.02332	100.0
125.99464	0.6
126.02673	5.0
159.37062	0.4
164.36665	0.4
168.37183	0.3
169.01329	33.7
170.01669	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	100.0
59.03187	1.6
65.00180	0.7
69.03326	1.7
70.02852	0.6
70.80274	0.3
70.80630	0.7
71.01262	0.7
81.03339	0.8
87.00782	0.5
95.01286	0.5
96.04458	0.3
97.02827	1.7
97.06462	0.5
97.99950	0.3
107.01310	0.3
108.04450	0.3
124.01537	0.5
125.02335	22.7
125.05980	0.4
125.09633	0.8
125.99489	3.7
126.90287	1.0
141.01875	0.7
151.11200	0.5
153.01511	0.6
168.03009	0.4
168.06450	0.5
168.10213	0.3
168.13855	6.8
168.91272	0.5
169.01332	7.4
169.03644	0.3
169.05031	0.6
169.12192	0.5
169.14246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.8
62.57993	0.8
65.00198	4.1
65.01325	0.7
66.70455	0.8
67.01761	27.5
68.01293	0.8
68.99673	2.8
69.03329	1.0
71.01259	2.5
71.56537	1.3
72.99171	2.1
77.93232	0.7
79.01765	8.8
81.03323	1.2
82.02824	0.7
83.01258	12.4
87.00759	0.9
91.01770	1.5
93.03333	1.2
95.01261	23.9
96.99203	3.6
97.02823	1.3
99.00716	1.3
99.28243	0.8
100.91586	0.8
101.19410	0.7
107.01269	1.7
108.02058	7.5
109.02842	1.7
109.99986	1.7
111.00763	100.0
111.04428	1.2
112.01112	4.3
123.00768	50.8
123.04398	6.2
123.08037	1.2
124.01598	11.8
124.98667	1.0
125.02323	4.3
125.03499	1.2
126.01866	1.0
127.00245	2.7
135.00783	1.9
136.98689	5.5
137.02357	1.0
139.00269	82.5
139.03893	2.1
140.01085	14.9
140.10699	1.6
141.01884	2.0
152.01070	15.5
153.00461	0.9
153.01773	1.1
154.99715	0.9
157.21164	0.9
166.99782	25.5
167.03427	12.4
167.05838	5.0
167.07205	2.2
168.00380	3.4
168.02982	2.9
168.10170	1.6
185.00891	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	166.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03207	0.1
59.01250	0.4
61.45831	0.1
65.00194	0.2
66.03366	0.4
67.01757	0.3
67.02910	0.1
69.99502	0.1
70.32136	0.4
72.30647	0.1
76.76402	0.1
78.04214	0.1
80.04939	0.1
81.03330	0.2
81.04451	0.2
82.02855	0.2
82.03983	0.4
83.01292	0.1
85.02742	0.1
91.01744	0.3
93.02840	0.2
93.03347	0.7
94.02875	0.2
95.01264	0.5
95.04896	0.5
97.02842	0.3
97.03957	1.0
98.20471	0.1
103.91899	0.3
108.02052	3.5
108.04475	0.3
109.02837	0.2
111.00771	0.4
121.02839	12.9
122.02339	0.3
122.03165	2.1
122.06004	0.5
123.00777	1.0
123.04400	2.4
123.08052	0.3
124.01559	0.3
124.03961	0.3
124.05034	0.7
125.02331	0.6
136.05196	10.5
137.02295	0.1
137.05518	0.7
137.09607	0.2
138.05508	0.4
139.00269	0.3
139.03889	0.4
149.02275	0.2
151.00267	0.9
151.02649	23.0
152.01056	6.6
152.02922	1.5
164.03389	0.1
165.83578	0.5
166.05003	100.0
166.83228	1.7
166.91048	0.2
166.99797	0.1
167.02243	0.1
167.03423	3.0
167.05351	6.8
167.07085	0.3
167.08496	0.2
167.10730	0.7
183.01648	12.8
184.02011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42999	0.3
58.02836	0.3
59.01233	0.2
63.62740	0.2
65.01328	0.3
65.99719	0.4
66.00879	0.2
66.03357	1.2
67.01743	0.7
68.99693	0.3
71.14323	0.7
75.22736	0.3
78.03374	0.3
79.66064	0.3
80.04943	0.4
81.03316	0.8
81.04466	0.8
82.02856	0.7
82.03984	1.5
82.22390	0.3
82.97495	0.3
83.01277	0.5
83.02397	0.4
83.04861	0.3
90.03466	0.3
91.01740	0.7
92.04955	0.9
93.03338	1.3
94.02879	0.5
95.01273	1.9
95.02439	0.3
95.04917	1.3
96.04411	0.4
97.02844	0.6
97.03964	1.9
105.02068	0.5
106.04060	0.4
107.02285	0.3
107.03686	0.4
108.02050	5.7
108.04408	0.5
108.52959	0.3
109.02839	0.8
109.03924	0.3
111.00758	0.9
111.04408	0.6
118.02918	0.4
121.02845	2.4
121.05238	2.8
122.02326	0.8
122.03184	3.1
122.06007	1.0
123.00757	2.2
123.04422	5.2
123.05376	0.4
123.08054	0.8
124.01541	0.9
124.03970	0.7
124.05050	2.9
125.02332	1.2
125.03442	0.3
135.04422	1.4
136.05205	22.1
137.02338	0.3
137.05510	1.7
138.01880	0.4
138.05540	0.7
139.00259	1.1
139.03883	1.0
139.04959	0.6
140.02437	0.6
148.03882	0.6
148.04913	0.3
149.02315	0.5
151.00294	2.1
152.01060	14.5
160.29189	0.3
166.05005	100.0
166.83276	1.0
166.99759	0.4
167.03419	7.5
167.05362	6.8
167.07083	1.1
167.10664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.5
57.03318	1.1
57.21198	0.4
57.74297	0.3
58.00453	0.5
59.01247	8.8
67.11693	0.3
68.99699	0.7
71.00879	0.7
71.01252	7.2
71.56066	0.6
72.99177	7.1
73.02817	2.4
75.00743	100.0
76.01094	1.8
77.00539	5.1
79.95610	2.1
80.96386	0.5
83.01260	0.7
85.02807	1.9
87.00748	47.8
88.01085	1.1
89.02312	3.3
93.03326	0.8
99.00762	5.5
101.02331	3.8
105.01812	35.0
106.02132	0.9
106.97988	0.6
107.04880	0.4
109.02824	0.6
117.01834	2.4
119.03352	0.5
119.04926	0.5
121.02814	2.1
124.00611	1.2
129.01823	10.7
130.02141	0.4
135.02892	1.1
135.04384	0.7
137.02350	1.0
138.05505	0.5
147.02892	7.2
147.04131	0.6
150.03111	0.8
164.83511	2.9
165.03952	50.1
166.01656	2.6
166.04160	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	164.0708
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.37088	1.0
55.83154	1.1
59.01242	3.5
63.75909	1.1
65.99734	1.4
71.01258	2.1
72.00376	2.2
72.00779	42.9
72.99185	1.3
75.00764	1.6
83.04872	1.0
85.02835	1.7
87.00736	2.0
89.02306	1.5
92.04935	3.1
93.03347	4.6
94.02859	1.8
101.02317	1.6
107.04930	2.2
108.02022	1.5
109.02831	2.0
119.04916	3.2
120.04427	5.8
120.05269	4.6
121.02866	13.6
122.03590	3.4
122.70126	1.4
123.04356	1.4
135.04427	4.6
136.03970	3.3
137.02338	3.3
137.03392	1.7
147.04416	100.0
148.04759	9.7
149.02353	1.5
150.03140	5.4
164.03377	2.9
164.04823	1.7
164.07079	43.4
165.01842	4.8
165.04176	2.2
165.05429	8.0
165.07442	3.8
165.08992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79223	0.2
59.01247	0.4
65.01300	0.4
65.99709	0.3
66.00847	0.2
71.01289	0.3
71.35677	0.2
71.36030	0.2
82.03989	0.4
83.02411	0.1
85.02821	0.3
91.05390	0.3
93.03328	1.1
94.02833	0.2
95.02372	0.2
101.02317	0.4
106.04009	0.3
117.03349	0.2
119.04913	100.0
120.05241	6.7
121.03976	0.4
121.05082	1.3
122.03507	0.2
136.03955	0.2
136.05070	0.4
137.03461	0.2
146.03551	0.2
163.00298	0.4
163.03915	8.1
163.06139	0.5
164.04369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32240	0.1
93.03330	1.4
101.02280	0.1
111.02689	0.1
117.03305	0.1
119.04911	100.0
120.05242	6.7
120.06132	0.3
121.05075	0.2
128.68254	0.1
135.04366	0.2
163.03912	9.1
164.04237	0.6
168.27045	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	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.4
60.19576	0.1
65.01313	0.7
65.99728	0.2
69.29654	0.7
69.30089	0.7
71.01245	0.3
79.02888	0.2
81.04462	0.1
82.03975	0.6
83.02380	0.2
85.02819	0.3
86.54830	0.1
91.01749	0.3
91.05387	0.2
92.02451	0.2
93.03321	1.3
94.02854	0.2
95.02378	0.1
101.02304	0.9
106.04020	0.2
109.03960	0.2
117.03375	0.2
119.04910	100.0
120.04436	0.4
120.05235	6.3
121.02810	0.4
121.03991	0.4
121.05068	1.3
122.03477	0.3
134.03568	0.4
135.04362	0.3
136.03954	0.2
136.05031	0.4
137.03436	0.3
146.03563	0.2
162.89223	0.2
163.00305	0.6
163.02518	0.4
163.03912	7.4
163.05946	1.0
164.03226	0.2
164.04413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01275	0.1
65.44743	0.1
69.41476	0.8
69.41885	0.3
79.81813	0.1
82.03979	0.2
91.05389	0.1
93.03323	2.0
101.02299	0.2
117.03363	0.3
119.04916	100.0
120.05244	6.9
121.02795	0.2
121.04025	0.2
121.05067	0.7
121.05827	0.1
135.04443	0.2
137.02333	0.2
137.03395	0.2
139.69217	0.1
143.34821	0.1
147.04327	0.1
163.00243	0.3
163.03922	5.3
163.06111	0.4
164.04347	0.5
167.71729	0.1
168.25168	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	157.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.2
58.51257	0.5
59.01250	15.5
61.98690	1.2
64.30958	0.4
65.01318	1.2
68.99680	2.0
69.03328	0.9
70.13847	0.6
70.14188	2.1
71.01250	4.8
72.99193	0.6
73.38831	0.4
74.72277	0.4
74.77541	0.5
75.00742	9.0
77.43516	0.5
81.80530	0.5
83.01244	0.6
83.04890	0.8
84.99179	5.5
85.02814	1.8
87.00764	1.4
91.02914	0.6
95.04893	1.8
96.95889	8.7
97.06461	1.1
97.21443	0.4
97.60537	0.5
98.95460	1.1
99.00751	2.8
111.00762	0.8
111.08026	1.4
112.92134	2.1
113.02357	0.6
113.05978	1.6
113.09586	1.9
114.09143	0.5
114.93306	1.2
114.98773	1.2
115.00258	2.6
115.02930	0.6
115.91940	0.5
116.07072	1.7
127.00266	8.4
128.04912	0.5
128.98178	0.6
130.04004	2.3
130.06541	1.4
130.17809	0.5
131.03525	0.5
135.58943	0.4
137.45425	0.5
139.00314	0.6
139.07523	1.9
139.11163	0.5
156.89293	4.2
156.90474	0.4
157.00008	0.8
157.01326	5.0
157.05055	4.3
157.08638	10.2
157.12244	100.0
157.86223	1.1
158.03484	4.5
158.04585	0.6
158.06024	2.3
158.08124	1.8
158.12587	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98472	0.7
54.92962	0.8
55.01761	2.7
55.86492	0.7
57.03326	1.5
58.02844	4.0
59.01243	1.7
65.01302	3.7
66.55218	0.8
67.01753	1.9
67.02882	0.9
68.01292	1.2
69.03300	0.9
69.31719	5.5
69.32124	1.9
70.02862	1.4
70.62179	0.7
71.01245	1.4
73.02821	9.0
73.03936	1.1
74.00265	0.9
74.02353	1.2
78.95754	1.1
81.03340	0.8
82.02884	0.8
83.01255	4.2
83.02373	1.2
83.04892	2.3
84.00771	1.4
84.04424	7.6
85.02843	1.7
85.03941	1.0
86.02348	1.2
89.01314	2.0
90.00852	1.5
93.03323	4.2
94.23717	0.8
95.01259	1.8
95.02380	1.2
96.00797	7.8
96.95895	3.1
96.99184	2.8
97.03941	1.3
97.99936	0.9
98.02343	2.2
101.01320	2.4
102.00849	1.4
111.00752	3.4
111.04400	3.4
111.08051	1.6
111.09177	0.8
112.01553	1.1
112.03922	1.9
112.05049	0.8
113.02333	0.9
113.03448	2.6
114.00932	1.6
114.01823	1.6
115.02911	1.4
123.00718	1.0
125.03499	1.1
127.00262	2.1
128.02422	3.2
128.03362	1.0
129.04468	5.6
137.09608	3.8
140.01036	4.4
154.02766	2.3
154.99750	2.3
155.02588	0.9
155.03523	22.2
155.04578	2.0
155.07114	1.9
155.10681	100.0
156.02994	3.3
156.04099	1.9
156.05540	16.2
156.06575	1.4
156.11005	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	153.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00177	1.3
53.65838	0.8
65.00192	92.7
65.99733	1.1
66.00523	3.2
67.01746	2.3
68.99683	1.9
69.03318	2.1
80.99683	0.8
81.03327	1.2
82.00457	1.0
83.01256	1.4
91.52370	0.7
92.99667	0.7
95.01260	18.2
96.99232	1.0
97.02826	100.0
98.03139	4.2
107.67877	0.7
108.02055	0.9
108.45333	0.7
108.86403	0.8
109.02834	11.5
109.99960	4.0
111.00779	0.9
120.99186	3.6
124.04019	1.1
125.02335	4.6
137.99475	2.7
139.00264	7.1
151.00206	0.8
153.01842	25.6
153.05396	1.1
154.02451	1.8
154.05011	1.1
166.67683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
58.02853	0.9
59.01250	1.0
61.87391	0.5
61.98682	0.5
63.10595	0.5
65.00192	10.0
65.03844	1.2
65.99706	0.6
66.03364	3.1
67.01769	0.7
67.03695	1.9
68.99677	1.0
69.03323	2.5
71.01241	1.3
71.04904	1.4
71.56580	1.0
72.04427	0.7
76.76421	0.5
78.95776	0.5
80.04904	0.5
80.96419	0.8
81.03331	4.7
82.02852	3.4
82.04037	0.7
83.01261	1.9
83.02384	0.9
83.04916	1.2
85.02827	1.0
88.71623	0.5
91.01769	1.0
95.01277	1.3
95.02381	0.8
95.04900	0.9
97.02827	12.6
97.06461	11.3
98.02351	1.1
98.03174	1.1
98.06794	0.6
99.08017	3.5
107.01228	0.6
107.04938	0.7
108.02046	9.1
108.04494	0.6
109.02835	100.0
109.06416	2.7
109.99959	4.9
110.02365	1.4
110.03175	6.1
110.05970	0.7
110.92459	0.6
111.01870	1.0
111.04411	1.0
111.05538	1.1
112.03925	1.5
112.05083	0.9
123.00753	1.3
123.04399	1.1
124.01556	1.2
124.03928	4.9
125.02325	5.2
125.09615	1.2
135.04430	1.3
136.03922	3.0
137.09633	1.5
137.99478	7.6
138.03151	1.3
139.02589	0.9
146.57089	0.5
151.00290	1.4
151.11172	0.9
152.91682	1.1
153.01843	34.3
153.05470	5.1
153.06590	0.7
153.09180	0.8
153.12753	37.8
153.86775	3.5
154.01210	1.0
154.02238	1.5
154.05008	5.7
154.06096	0.8
154.08698	0.6
154.13078	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	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15644	1.2
55.01758	100.0
55.96688	1.1
56.02085	2.1
57.03309	3.4
59.01251	3.6
60.19740	1.2
65.00203	2.7
67.01757	4.5
67.87242	1.2
68.02424	6.3
68.02727	1.1
68.99689	2.6
69.03339	1.5
70.02809	1.4
71.01260	17.8
81.03357	2.0
83.01257	52.6
83.04911	4.2
84.01601	2.5
84.04415	1.5
85.02824	3.2
87.00775	1.3
93.03323	13.5
94.03646	1.3
95.01270	2.4
96.96832	1.9
96.99199	4.2
98.02371	1.8
99.00777	3.9
99.04377	2.5
102.25079	1.1
109.02820	4.2
111.00754	7.7
111.01895	1.5
111.04421	5.7
111.08041	1.1
112.03916	1.6
113.02345	2.2
114.05491	6.2
126.99388	2.2
127.00259	21.5
137.02318	9.9
140.01053	5.0
154.99773	64.6
155.03423	12.5
155.07042	2.9
156.00130	3.4
156.03021	1.8
156.06580	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	152.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60128	0.1
58.02848	0.2
59.01248	1.0
60.42093	0.1
60.84497	0.1
64.11629	0.1
65.00191	1.2
66.03023	0.2
66.03361	3.3
67.02868	0.3
68.01312	0.2
69.03315	0.2
69.49967	0.1
69.50275	1.0
71.01263	0.1
72.04416	3.1
79.95613	0.4
80.96374	0.6
81.03316	0.4
81.04434	0.4
82.02873	0.2
95.01274	0.1
95.48711	0.1
97.02830	1.5
108.02041	0.8
108.04461	0.3
109.02835	7.9
109.03989	0.3
109.06414	0.1
109.99050	1.1
109.99966	0.4
110.02346	0.2
110.03474	0.3
111.01887	0.2
111.05530	0.1
120.79121	0.1
121.02842	1.2
122.03625	40.2
123.00808	0.1
123.03961	2.7
124.01588	0.2
124.03915	0.2
125.02348	0.4
125.03414	0.1
132.04805	0.1
134.03445	0.2
137.01894	0.4
137.99481	0.5
151.00305	0.1
152.00183	1.5
152.03436	100.0
153.01895	3.2
153.03764	7.1
153.05392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00214	0.4
55.01770	0.3
59.01249	3.8
62.06802	0.3
63.02268	0.5
65.00198	0.6
65.01296	0.7
65.99717	1.3
66.00841	0.4
66.03362	5.7
67.01734	0.6
67.02877	2.4
68.00958	0.3
68.01293	1.3
68.99692	0.5
69.03329	0.5
69.30493	0.8
69.30901	2.0
71.01248	3.4
72.04414	7.6
73.02823	0.5
79.01781	0.4
79.95614	0.8
80.04919	0.6
80.96387	2.1
81.04459	1.1
82.00480	0.6
82.02859	1.3
82.03979	1.0
83.01286	0.7
83.02367	0.7
89.02316	1.9
89.37735	0.3
91.01771	1.6
91.02863	0.4
92.02542	3.0
93.03340	0.4
95.01260	16.5
95.02371	0.8
96.01582	0.7
96.95902	0.4
97.02826	0.4
97.03973	0.4
98.02317	0.4
101.02319	1.8
106.00462	0.7
106.04020	0.8
107.01214	0.6
107.04922	2.2
108.02051	17.3
108.04431	0.8
108.99511	0.3
109.02323	0.8
109.02952	0.5
109.03248	0.4
109.03963	4.4
109.05120	0.4
109.99059	3.6
110.02362	1.4
110.03488	1.1
111.01897	0.7
119.01276	1.0
121.02859	0.8
122.03576	0.8
123.00771	2.2
123.04421	3.4
123.05367	0.5
124.01487	0.4
124.03924	0.6
124.05019	0.7
125.03465	0.8
133.03981	0.4
134.02586	0.4
134.03522	1.2
136.01559	86.5
137.01892	5.9
151.03914	100.0
152.00105	4.0
152.04330	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	13.1
69.03332	2.9
70.44527	2.5
71.01248	16.1
71.01614	1.5
72.99178	17.0
73.02812	9.5
75.00743	100.0
76.01082	2.0
76.29949	0.9
79.43139	0.8
85.02814	1.6
87.00749	6.0
89.02313	39.1
103.03901	2.4
114.22263	1.0
117.46001	0.9
121.02824	3.2
131.03407	6.1
149.02481	1.7
149.04454	30.8
150.00037	1.0
150.03113	1.0
150.04790	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	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40688	0.9
61.85374	0.8
65.01317	6.3
65.99724	5.7
67.02876	2.3
68.01287	0.9
71.01260	1.7
73.02836	0.8
75.00742	1.8
78.03367	1.2
79.02905	1.5
81.04471	1.9
83.02365	1.4
89.02312	3.3
89.36542	0.9
91.02923	1.1
92.02409	1.6
93.03313	1.9
94.02847	0.9
95.02422	1.6
95.04893	1.1
98.20562	2.2
102.04634	6.7
103.05418	16.9
104.05740	1.6
106.01671	0.9
106.03976	3.7
107.02401	2.3
107.03597	1.0
108.02012	1.0
108.05547	1.6
108.84087	0.8
109.03974	0.9
119.04931	0.9
120.01918	1.9
121.02840	11.5
121.03717	1.5
121.05096	1.7
121.06487	0.9
122.02358	1.5
122.03490	2.2
122.05994	0.8
123.01894	1.7
130.04132	87.3
131.04933	100.0
132.05238	10.2
133.05164	0.9
134.03596	1.5
147.04494	0.8
149.02386	4.3
149.03461	1.4
149.04610	4.2
149.05952	5.7
150.00096	1.1
150.01918	0.8
150.02992	4.4
150.05469	1.2
150.06584	2.0
164.44499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10591	4.7
54.35004	4.7
57.03309	8.4
59.01249	31.0
61.98700	42.7
64.01797	19.6
65.01322	69.5
65.99715	21.2
67.02888	7.7
68.01271	4.9
70.02850	9.4
70.05227	23.7
71.01251	30.6
72.99176	81.2
75.00749	57.7
79.02895	17.7
81.04450	8.7
82.02844	7.4
82.03989	11.1
82.10942	4.5
84.99157	6.5
85.02838	8.7
87.00725	5.9
89.01274	4.5
91.02906	11.1
92.02446	7.8
94.27347	5.1
95.06019	6.2
99.00762	9.1
105.04465	55.9
106.02867	7.3
106.03988	58.0
107.02425	7.8
118.03972	8.8
119.02407	7.3
119.03197	10.1
119.04899	14.7
120.01923	12.2
120.05564	13.4
121.02828	6.4
121.03957	31.1
147.01891	30.8
147.02951	18.0
147.04417	87.8
147.05505	10.2
147.06549	52.6
148.00417	5.8
148.03952	10.5
148.05051	100.0
161.97160	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	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	13.8
59.01239	42.9
68.20670	8.1
71.01250	42.1
71.04872	33.2
71.56159	8.9
72.99171	40.5
75.00733	40.7
83.04900	43.2
84.96200	8.2
85.02810	8.9
87.00760	21.1
100.66979	7.5
101.05943	47.1
103.36786	7.4
103.83393	7.0
129.01801	10.7
147.01891	20.5
147.02936	9.3
147.04372	23.2
147.06525	100.0
148.04944	10.5
148.06825	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	145.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	11.7
56.06134	3.2
59.01235	5.5
60.61424	3.1
64.01781	19.7
65.01315	35.8
65.99713	16.2
66.00848	15.6
69.71252	3.6
71.01265	4.0
71.39545	5.7
71.79730	3.2
73.02806	5.7
76.01757	3.3
77.01324	30.6
79.39486	3.9
81.03344	6.3
81.04461	9.1
83.04903	15.1
85.02873	4.5
89.01350	6.2
90.00861	28.1
91.02907	18.8
92.02412	7.5
98.43782	3.4
99.04420	5.5
101.05961	12.8
102.00858	7.0
103.02869	6.5
104.02412	4.3
105.03232	11.8
105.04472	12.2
106.01588	4.8
116.02432	19.9
117.01965	11.7
118.00343	4.1
118.02889	27.9
118.04001	84.6
119.02402	32.7
119.03460	6.0
119.04285	6.7
130.01773	3.5
130.02753	11.4
137.02205	3.8
144.01941	18.1
144.03067	10.3
145.01508	26.4
145.02711	14.5
145.03935	36.4
145.05064	78.4
146.02373	100.0
146.03497	40.5
146.04547	5.0
146.07115	22.7
161.85823	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	145.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	17.4
57.03325	18.8
59.01249	32.9
69.43989	54.9
69.44398	23.9
71.01258	88.5
72.99184	20.7
73.02830	30.1
79.95615	10.8
80.96387	34.1
81.03321	16.6
83.01258	31.5
83.04910	29.9
87.00750	100.0
99.04371	13.7
99.08051	15.7
101.02322	51.3
101.05963	20.5
115.00269	75.9
118.02874	50.7
127.00256	41.6
144.96407	14.3
145.01328	27.6
145.03943	33.4
145.04919	28.7
146.02393	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00213	0.7
51.50928	0.3
52.27250	0.2
55.52271	0.3
58.02863	0.3
64.01790	1.3
65.01048	0.3
65.01319	3.4
65.99725	1.4
66.00835	0.6
67.02829	0.3
70.08597	0.7
70.09010	0.5
71.01245	0.6
71.04867	0.2
73.03317	0.2
73.34959	0.2
77.01332	2.2
77.23068	0.2
81.03316	0.4
81.04428	0.9
83.04885	0.7
87.00710	0.3
89.01320	0.6
89.03833	1.3
89.94829	0.2
90.00835	0.6
91.02896	1.9
92.01233	0.3
92.02413	0.5
92.28196	0.3
99.04408	0.4
99.08034	0.7
101.05956	0.7
102.05486	0.3
103.01659	0.6
103.02930	0.3
103.99216	0.2
105.03205	0.8
105.04458	1.1
106.01628	0.5
115.00224	0.3
116.02464	1.1
117.03349	100.0
118.02859	2.4
118.03888	12.0
118.05260	0.3
119.02393	3.5
119.03577	0.4
119.04329	0.5
130.02739	0.9
131.01160	0.5
137.87814	0.2
144.01921	1.0
144.02972	0.3
144.96387	0.4
145.02863	36.8
145.03900	2.3
145.04977	5.6
145.08617	0.4
146.02362	4.7
146.03360	5.1
146.05437	0.4
146.07103	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29826	2.2
55.01758	6.7
57.27729	2.5
58.03551	2.0
59.01244	28.1
71.01250	100.0
72.01570	3.6
72.99171	16.2
73.02827	13.3
83.01250	23.9
87.00740	46.5
88.01046	2.1
99.00758	21.2
99.08074	2.9
101.02316	8.6
101.05965	3.7
102.03395	2.8
102.05484	13.0
112.98650	2.5
115.00245	29.1
118.02864	7.8
127.00239	15.1
128.03435	5.5
145.01314	19.8
145.03934	7.0
145.04932	5.3
146.02403	12.7
146.04428	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	17.4
59.01247	15.5
65.68613	3.3
68.99692	6.9
69.03314	10.8
69.55361	7.5
69.55766	25.7
71.01250	83.7
72.99186	6.6
73.02837	3.7
81.03331	5.1
83.01251	6.8
85.02827	26.9
87.00746	16.2
87.92426	3.7
94.81158	3.6
95.42023	3.7
96.99199	20.7
97.02827	17.3
99.04400	6.9
112.96472	3.4
112.98678	30.0
115.00249	12.8
124.98690	70.4
125.02298	17.3
133.41064	4.0
140.98218	4.7
142.99763	100.0
143.03403	11.8
144.00104	6.1
144.04449	12.5
158.99205	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53659	1.7
53.00185	10.0
55.01741	4.8
57.03314	2.5
59.01248	8.8
67.01783	3.2
68.99673	3.1
69.03315	18.0
71.01253	100.0
71.04891	3.5
71.11594	4.0
71.11930	3.4
72.01594	2.1
72.99168	6.7
79.95588	2.5
80.99694	2.8
81.03333	10.2
83.01261	2.9
83.04884	2.8
84.02038	1.8
85.02340	3.6
85.02820	40.1
87.00750	16.9
87.04387	2.3
94.86574	1.8
95.01274	3.0
96.99181	14.5
97.02827	25.1
99.00761	2.2
99.04377	5.0
101.02317	3.3
112.98671	16.6
113.02306	3.3
115.00249	4.5
124.98688	40.0
125.02328	40.8
125.05927	2.4
126.02668	2.6
140.98166	4.2
142.99765	41.5
143.02354	3.2
143.03406	26.5
143.07057	2.7
143.10684	2.6
144.00151	4.4
144.04480	25.9
144.06564	6.5
154.05739	2.1
158.99303	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	21.4
54.17263	3.2
55.01763	4.1
57.03321	4.9
58.00465	4.2
59.01235	9.7
67.01760	12.8
68.99671	5.4
69.03323	22.4
71.01252	100.0
72.00774	5.9
72.01574	5.0
72.70649	3.2
72.99165	8.0
73.02808	7.5
79.95602	7.7
80.99689	5.3
81.03320	8.5
83.01260	8.2
85.02818	33.8
87.00738	33.2
87.04373	3.3
87.92411	11.3
96.99197	27.3
97.02807	21.4
98.04384	3.6
98.19786	8.6
99.00803	2.9
99.04364	12.3
102.05492	7.2
103.91890	8.4
111.00761	48.5
112.98688	38.6
113.02334	3.9
115.00259	10.0
115.03918	4.5
122.80222	3.1
123.94544	8.3
124.98693	77.3
125.02330	29.6
125.99023	4.6
140.98201	5.2
142.99757	95.1
143.03409	26.7
143.07016	3.9
144.00096	6.6
144.04488	25.3
144.06540	4.5
158.99268	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01747	0.3
64.35509	0.2
66.00848	0.4
66.03359	0.2
67.01757	0.6
68.01263	0.3
68.16049	0.2
68.99696	0.2
69.35045	1.9
83.01271	0.2
94.03668	0.5
95.01285	0.7
95.60064	0.2
97.03909	0.3
98.19820	0.3
108.02051	80.3
109.02388	4.8
111.00774	1.4
138.01868	100.0
139.00255	0.9
139.01268	0.3
139.02225	6.4
142.17842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	6.6
60.57713	1.7
65.00204	9.4
67.01761	43.5
68.99684	7.2
69.03310	4.0
70.43171	3.7
70.43554	4.2
71.01257	2.4
81.03296	1.7
83.01255	13.9
83.04898	3.0
84.93039	1.4
93.03340	2.7
95.01262	20.8
95.04900	3.3
96.71943	1.5
98.02351	1.8
98.03479	2.8
111.00760	100.0
111.04411	2.6
112.01094	3.0
112.03799	1.7
124.01555	5.7
136.98694	6.1
139.00270	80.0
139.03896	12.5
139.04878	2.4
140.01053	58.9
140.02274	2.7
140.03392	2.4
153.83644	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	139.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	5.2
65.00190	6.9
67.01760	43.8
68.01263	2.5
68.02090	2.6
68.99693	6.3
69.03331	2.0
70.90662	1.2
70.91025	3.4
71.01243	1.8
71.24046	1.4
78.17669	1.3
82.03949	1.6
83.01247	15.5
83.01640	1.4
85.89835	1.2
93.03332	1.1
95.01260	16.0
96.00785	1.4
96.01612	1.6
111.00761	100.0
111.04425	1.5
112.01109	4.2
123.00834	1.4
124.01521	2.4
136.98682	4.2
139.00270	87.6
139.03899	7.1
140.01056	66.1
140.02315	1.7
140.03389	1.8
140.88792	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.3
69.47752	7.4
71.01252	100.0
72.01584	4.2
72.99181	30.6
77.39237	0.9
87.00737	2.1
89.02329	6.8
98.20598	2.0
113.18437	1.0
115.00257	95.9
116.00586	4.3
117.51857	1.0
133.01320	14.3
133.04800	0.9
137.87851	0.9
146.50783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96006	0.4
59.01253	1.2
65.01314	4.1
65.99702	0.8
68.31490	0.4
69.41070	3.6
71.01250	74.9
72.01578	2.3
72.99176	23.4
75.00750	2.4
87.00768	1.2
87.04384	0.6
89.02316	7.8
91.02916	1.1
92.01292	0.7
92.02404	0.7
92.60684	0.4
106.03996	2.4
107.02393	1.1
115.00252	100.0
116.00609	4.1
133.01317	22.5
133.04044	0.8
133.04947	3.5
134.01643	0.8
134.03508	4.1
134.04471	0.9
151.43732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.4
64.68204	1.0
71.01249	77.4
71.20144	1.8
72.01590	2.1
72.99175	26.6
75.00751	3.6
87.00733	1.1
87.04388	1.2
89.02311	8.9
115.00248	100.0
116.00604	5.0
133.01303	20.6
133.04956	4.9
134.04597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58447	0.5
61.40188	0.5
62.24365	0.5
65.00190	0.7
65.03830	1.4
65.35911	0.5
65.99704	1.0
66.03368	0.9
67.01738	1.4
69.03323	4.3
71.36118	1.2
78.95751	0.9
81.03338	1.5
91.01784	1.3
93.03333	100.0
94.02866	2.6
94.03647	6.4
95.01279	0.7
95.02413	0.7
108.02042	7.6
108.05695	1.7
109.02844	7.3
110.02351	0.9
119.08543	1.5
122.03642	0.7
127.68855	0.6
136.01573	2.1
136.86134	4.2
136.89082	1.3
137.02347	30.4
137.03413	1.9
137.05975	2.1
137.09604	7.9
138.01846	9.1
138.02771	1.9
138.05504	1.6
153.01854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	L-Leucine
Peak:m/z	Relative Intensity
57.03322	1.9
59.01234	1.0
61.08135	0.6
67.77270	0.6
71.01250	1.4
71.55012	0.9
73.02817	3.6
85.02816	6.8
85.06456	0.7
87.04375	3.5
88.03915	1.7
110.89530	0.6
112.03788	0.6
130.03984	1.3
130.08629	100.0
131.03410	4.4
131.07028	0.7
131.08980	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	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59480	0.8
53.00179	0.7
55.89738	0.7
57.03323	4.4
58.02843	1.9
59.01231	1.2
64.00528	1.7
65.01315	35.4
65.99706	3.1
66.84826	0.7
69.03319	0.7
71.01258	5.7
72.99191	1.1
73.02816	7.6
75.00707	1.8
85.02819	18.6
85.06474	7.4
87.04388	5.4
88.01802	1.3
88.03919	1.9
89.01329	22.6
90.00845	3.2
98.20641	1.6
101.02328	1.1
103.01640	4.1
103.02895	7.1
104.02442	4.0
113.02360	1.1
129.03233	4.4
130.02797	7.2
130.04004	100.0
130.08624	31.6
130.09605	1.7
131.01222	2.3
131.03517	78.4
131.04250	4.0
131.07011	3.1
131.08990	2.2
134.90948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	25.3
57.03305	4.1
58.02813	4.9
65.00174	5.1
65.99698	3.7
68.99688	7.4
69.44705	16.0
69.45115	8.8
71.01263	24.1
81.03329	7.0
83.01252	38.4
83.04899	12.2
85.02820	22.4
85.03973	6.2
86.02334	4.4
86.72964	3.3
95.01270	25.4
98.20537	6.9
99.00758	90.1
99.04389	6.1
109.02842	7.1
111.00720	3.1
113.84409	3.2
116.44240	3.0
126.90317	11.3
126.99431	44.7
127.00255	100.0
127.02972	4.4
127.03901	20.0
127.04913	3.1
127.99744	4.5
128.01245	6.1
128.03453	17.0
128.07053	10.5
130.60423	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	20.1
55.32982	3.2
57.03325	43.5
67.01758	87.1
68.99686	62.5
70.00039	3.5
71.01255	24.4
71.55615	4.7
71.55995	4.6
72.99174	17.3
73.02814	10.7
77.59109	3.4
77.91498	3.6
78.47614	3.3
80.96397	4.5
83.01247	10.5
83.04874	3.9
85.02821	58.8
85.06455	5.5
87.00733	14.0
88.03897	21.2
96.99203	8.6
99.00774	13.2
100.98680	3.4
101.02330	10.6
103.02907	4.7
103.82189	3.3
106.06765	3.6
111.00802	7.8
118.31902	3.2
129.01826	51.1
129.03223	6.7
129.05429	3.4
130.04013	64.0
130.08624	100.0
133.46751	3.6
147.04759	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	4.9
63.45996	1.0
64.01791	1.7
65.01318	10.3
65.99715	10.1
66.31551	0.9
68.01281	2.7
71.09633	2.8
77.01311	4.2
79.02888	1.3
79.95605	21.5
91.02876	6.3
91.05424	1.3
91.18404	1.1
92.01299	7.2
92.02408	2.2
93.00834	4.5
93.03326	6.1
105.03158	1.3
118.03974	2.9
118.92547	2.2
119.02402	19.2
119.03474	3.2
119.04906	100.0
119.97513	8.4
120.01946	10.9
120.04362	2.2
120.05574	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00188	4.9
65.00179	6.7
69.03329	17.5
70.56631	8.8
70.56962	8.7
71.69296	4.5
80.39786	4.6
82.02819	6.0
82.03976	6.0
83.01263	5.6
94.02876	5.3
95.01250	7.6
96.01578	6.5
97.02823	17.1
97.74940	5.4
123.00755	25.7
124.01581	62.9
124.03988	7.1
125.02345	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00206	0.5
59.01242	0.5
63.01335	0.5
65.01315	2.3
65.99722	1.3
73.11954	0.4
77.01331	0.6
79.95615	3.4
84.10880	0.4
91.02894	0.7
91.05392	1.2
92.01281	1.0
92.02403	0.8
93.00825	0.5
93.03322	4.1
99.51382	0.5
104.02523	0.6
105.95364	0.4
119.02407	2.7
119.04913	100.0
119.97508	1.0
120.01930	2.0
120.04298	0.8
120.05424	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	2.0
59.01243	0.6
64.01787	1.0
65.01320	6.3
65.99731	3.6
66.00824	0.5
66.92174	0.4
68.01292	0.9
71.01234	0.4
77.01316	2.1
79.02900	1.0
79.95612	3.1
83.78708	0.4
91.02904	3.6
91.05392	1.0
92.01289	2.9
92.02423	1.7
92.03316	0.5
93.00838	1.6
93.03322	3.9
101.18049	0.4
105.03221	0.6
117.03358	1.0
118.04022	1.3
119.02441	10.1
119.04911	100.0
119.97501	2.0
120.00761	0.6
120.00996	0.6
120.01940	6.4
120.05573	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	2.8
57.06902	0.4
59.01263	0.6
60.53643	0.4
64.01797	1.1
65.01319	6.9
65.15009	0.4
65.99722	6.4
66.00858	0.6
68.01289	2.5
69.27868	1.2
69.28282	2.6
73.02818	0.5
77.01313	2.3
79.02885	0.8
79.95618	3.2
90.00816	0.7
91.02893	5.5
91.05408	1.2
92.01305	4.5
92.02433	2.2
92.03239	0.7
93.00835	2.9
93.03333	4.0
93.04488	0.5
104.02456	1.0
105.03208	0.9
111.92029	0.4
117.03432	0.5
118.04002	1.5
118.92591	0.7
119.02438	12.4
119.03487	2.4
119.04910	100.0
119.97522	1.2
120.01028	0.7
120.01941	8.6
120.02743	1.0
120.05574	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30969	0.3
55.01751	0.5
59.01248	1.9
70.89168	1.1
71.01247	2.4
71.04883	0.7
73.02816	100.0
74.03144	3.6
78.09540	0.4
87.00732	0.9
90.00860	0.8
91.02911	0.3
92.23349	0.3
99.00752	8.8
99.92458	3.0
100.92490	0.4
116.92736	8.0
117.01825	12.5
117.03339	0.4
117.05434	0.4
117.07395	0.6
117.92728	1.2
118.02130	0.7
118.02872	1.2
118.03967	1.2
120.91093	0.4
121.15688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	3.8
59.01247	45.6
66.13107	2.1
70.68637	7.4
71.01253	100.0
72.01584	2.2
72.99159	4.2
73.02814	44.0
74.02314	2.7
75.00741	3.6
87.00761	36.4
89.02327	4.2
99.00742	12.7
109.86491	2.4
117.01823	8.8
118.02895	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
55.34738	0.3
57.75937	0.3
59.01251	0.9
71.01261	1.5
71.04898	0.5
71.26799	0.5
73.02818	100.0
74.03156	3.4
87.00781	0.4
99.00762	8.5
99.92458	5.0
100.92461	0.8
101.25236	0.3
116.92744	17.3
117.01822	13.5
117.05473	0.5
117.07398	1.5
117.92725	2.0
118.02149	0.5
118.02893	0.8
118.04002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1165.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03830	2.1
91.01777	1.2
95.01263	4.2
95.04922	0.9
103.01734	1.2
104.47672	0.8
105.03329	1.9
106.02009	0.9
107.01268	1.5
108.02003	0.9
109.02779	1.1
115.01743	2.8
117.03346	8.1
119.01289	1.7
119.04975	1.7
121.02825	2.4
123.00027	0.8
123.00766	5.6
124.01559	1.5
125.02289	4.4
129.03345	2.4
130.00591	0.9
131.01279	7.5
132.02031	2.9
133.02837	8.8
135.04410	2.1
137.02371	1.2
139.00238	1.1
141.03279	0.8
143.01288	4.8
145.02843	17.6
147.00790	6.0
147.04463	4.2
148.01563	1.9
149.02357	3.4
151.00266	2.7
157.02856	2.9
159.00752	5.2
159.04384	1.4
160.01575	5.1
161.02325	16.9
163.00272	6.1
163.03900	10.8
164.04651	1.1
165.01817	0.9
166.99777	2.0
168.00499	0.9
169.01363	5.5
171.00826	7.3
172.01564	3.6
173.02350	14.2
175.00288	2.6
175.03934	4.8
176.01015	2.4
177.01833	15.3
179.03447	1.3
183.04448	1.0
185.02332	5.2
186.69998	0.8
187.00291	22.8
187.03917	1.1
188.01065	5.1
189.01849	22.1
190.02635	5.0
190.99734	3.9
191.03424	7.7
192.00537	1.6
199.00314	5.2
199.03938	1.4
200.01021	4.2
201.01848	15.4
201.98920	1.0
202.02417	1.3
202.99747	4.7
203.03433	6.0
204.00522	1.3
205.01366	3.9
207.02957	1.2
209.02414	1.3
211.03966	1.8
213.01918	3.0
213.99069	2.5
214.02660	2.1
214.99765	26.4
216.00584	10.5
217.01349	23.0
218.02081	3.9
218.99290	1.3
219.02954	5.6
222.01628	1.0
223.03923	1.7
225.05676	1.1
226.99786	5.5
227.03386	1.8
228.00667	4.0
229.01331	15.7
230.02057	3.1
230.99330	4.4
231.02962	5.4
232.00023	2.3
233.00803	3.3
235.02319	1.3
239.03416	1.3
241.01483	2.1
242.99289	27.8
243.02954	1.2
244.00031	8.0
245.00865	38.2
246.01392	2.2
247.02435	16.2
248.02934	2.4
249.03996	6.1
251.03453	1.4
253.01289	2.0
254.01961	1.0
254.99263	2.4
255.02950	1.2
256.00089	0.9
257.00836	8.6
258.01630	2.8
258.98788	5.9
259.99557	7.6
261.00360	13.7
262.00751	1.4
263.01920	1.4
266.02008	1.0
266.99326	1.6
267.02731	1.2
269.00790	1.1
270.98828	71.2
271.99460	8.6
273.00388	63.6
274.01096	8.1
275.01917	23.6
279.03070	1.6
281.00931	1.7
282.98825	1.2
283.02365	1.1
283.99561	5.3
285.00269	2.1
285.97696	2.1
286.98395	11.1
287.14893	1.9
288.99872	3.7
291.01425	7.0
293.00925	1.7
295.02441	1.8
298.98309	93.6
299.99057	58.1
300.99878	100.0
301.03204	3.8
302.00311	4.7
302.97849	1.3
303.98608	1.9
304.99359	1.1
309.00357	1.5
309.03864	1.2
311.01978	1.4
312.99911	1.2
314.97916	2.0
315.01425	1.4
316.99387	19.5
318.98666	1.1
321.00290	3.3
323.01953	1.3
324.99704	1.6
326.97940	1.4
336.99811	3.0
339.01221	1.3
343.04523	1.0
347.99002	1.1
348.99854	2.1
351.01434	1.1
352.99347	5.0
353.02887	1.3
364.99011	2.0
367.01080	1.9
376.99319	1.4
381.02783	1.3
392.98782	3.5
395.00259	2.1
397.01938	2.6
399.03381	1.1
404.98795	1.3
407.00226	1.7
409.02008	1.7
418.96732	2.7
420.98358	3.1
423.00156	1.9
425.01410	2.6
431.02493	1.7
432.03558	1.0
433.03983	2.1
443.02689	1.5
445.03952	1.0
446.96173	1.1
449.20474	1.1
450.99432	1.5
453.00873	5.5
461.03564	3.7
478.98932	4.3
583.03680	3.9
595.03479	2.4
601.04865	1.3
613.03979	0.9
701.02936	1.0
717.03735	1.4
733.03229	1.6
734.03424	1.6
745.03357	2.8
761.04065	1.3
762.03265	1.1
763.04028	4.1
764.04181	1.0
793.05127	2.4
857.04968	1.3
875.06445	1.4
883.02795	2.8
885.04431	3.8
895.01703	2.0
901.04016	6.1
903.05017	4.5
904.06256	1.3
913.03503	20.7
914.04004	4.8
931.04895	17.8
932.05481	28.3
933.06195	5.2
943.04376	1.2
949.06250	8.9
950.06512	20.4
951.07336	2.8
1011.03290	2.6
1025.05139	1.7
1035.02942	1.0
1051.02698	1.4
1053.04810	2.3
1055.07495	1.2
1073.07654	1.3
1079.03027	2.3
1083.06250	3.6
1111.05212	7.2
1129.06360	9.8
1130.06604	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	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
59.83075	0.9
65.01302	1.3
70.97636	2.5
71.01237	3.3
71.04872	1.0
72.01567	1.8
73.02814	100.0
74.02320	1.6
89.01334	3.2
90.00865	1.2
99.00756	9.6
99.92467	2.2
116.02397	4.7
116.07053	41.8
116.92730	6.6
117.01821	15.5
117.07375	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20990	1.4
56.03920	1.4
59.01250	13.8
65.01297	2.5
71.01253	63.7
71.04900	5.0
71.21118	3.1
72.01570	2.5
73.03938	8.4
74.02351	3.5
87.00745	8.0
89.01324	7.4
109.84619	1.5
115.00237	7.1
116.02423	10.6
116.07054	100.0
121.85130	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	1151.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03812	0.8
91.01756	1.1
95.01260	3.5
96.95921	1.0
103.01811	1.2
105.01054	0.8
106.85384	0.8
107.01178	1.1
107.04916	1.0
108.02003	1.1
111.00781	1.0
115.01772	1.2
117.03331	6.3
119.04935	1.7
121.02872	1.4
122.03635	0.9
123.00777	6.5
124.01546	1.2
124.98705	1.7
125.02344	6.3
129.03317	1.7
131.01291	3.5
132.02054	3.4
133.02875	4.2
135.04378	1.4
139.00250	1.2
143.01276	3.9
143.04941	0.9
145.02866	12.4
147.00809	3.7
147.04419	3.2
148.01569	1.6
149.02370	3.9
151.00266	1.5
153.01796	0.9
157.02852	3.0
159.00743	4.3
159.04431	3.3
160.01520	5.0
161.02341	13.9
162.03021	1.8
163.00273	2.7
163.03951	6.4
164.01054	1.0
164.04619	0.9
165.01843	1.1
166.99768	2.2
168.00436	1.0
169.01366	6.7
171.00804	5.8
172.01561	3.5
173.02318	12.1
174.03050	1.3
175.00323	1.9
175.03911	3.6
176.01100	2.9
177.01845	11.0
178.99786	2.4
179.03523	1.1
183.04384	1.2
185.00899	1.0
185.02293	5.4
187.00290	17.6
187.03946	1.9
188.01097	5.6
189.01855	18.6
190.02628	8.4
190.99814	2.9
191.03391	6.1
192.00577	1.1
192.24443	0.8
193.01254	1.2
198.03127	1.0
199.00294	3.5
199.03978	1.7
200.01067	5.3
201.01863	13.9
202.02510	2.3
202.99802	4.0
203.03419	5.3
204.00569	1.4
205.01352	3.8
211.03923	1.6
213.01845	2.7
214.99806	20.5
215.03302	1.6
216.00601	11.3
217.01367	20.0
218.02126	4.6
218.99338	1.8
219.02898	3.7
223.03938	1.0
225.02019	0.9
226.02676	0.8
226.99785	4.2
227.03416	1.8
228.00594	3.1
229.01384	15.1
230.01938	2.4
230.99286	3.7
231.02916	6.7
232.00107	2.9
233.00871	3.3
234.01558	0.9
235.02341	1.3
237.01901	1.0
237.05640	0.9
239.03423	1.0
241.01369	2.0
242.99304	21.7
243.03108	1.9
244.00024	7.6
245.00876	30.5
246.01526	3.1
247.02452	7.3
248.03107	3.7
249.04001	7.4
251.03458	1.4
253.01389	1.2
253.05118	0.9
254.99249	2.6
255.02965	1.4
255.99944	1.1
257.00891	10.0
258.01599	2.0
258.98880	6.0
259.02383	2.2
259.99579	6.0
261.00391	11.5
262.00397	0.9
265.01352	1.4
266.02216	2.0
266.99356	4.2
267.02988	2.0
269.00851	1.4
269.98111	2.5
270.01450	1.2
270.98831	56.2
271.99490	6.6
273.00385	41.2
274.01102	9.0
274.98880	1.2
275.01953	23.2
276.02466	1.5
277.03540	3.3
279.02930	1.4
281.00937	1.4
282.01740	0.9
282.98822	1.6
283.02454	1.3
283.99579	5.5
285.00323	3.9
285.03952	1.0
285.97598	1.1
286.98331	5.5
287.01819	1.8
287.99051	1.9
288.99808	3.8
290.00497	1.3
291.01334	3.8
295.02487	2.1
297.04138	1.7
297.97528	4.2
298.00903	1.5
298.98331	69.6
299.95529	1.8
299.99094	75.8
300.99866	100.0
302.00253	7.3
303.01340	3.8
303.98651	1.4
304.99661	1.0
305.03064	3.5
307.02444	1.4
307.99792	1.1
309.00421	3.8
309.03970	1.6
310.01190	1.0
310.98346	1.2
311.02078	1.9
312.99820	2.2
314.97803	1.2
315.98639	1.1
316.99353	9.3
317.99683	1.2
321.00095	1.8
323.02020	2.9
324.99701	1.2
325.03464	1.1
331.01035	3.6
335.99014	1.2
336.99838	6.3
338.00406	1.2
339.01495	2.7
340.99399	1.3
341.03177	1.0
347.00357	1.0
349.02124	5.9
351.01328	1.4
352.99185	1.9
353.03107	1.1
364.99173	5.3
365.99802	1.1
367.00952	3.3
379.00836	1.6
392.98843	16.5
393.99307	1.3
397.01987	2.4
410.99872	1.9
422.99924	1.1
425.01334	3.5
443.02625	1.2
445.04462	1.1
450.99307	7.6
451.99838	1.4
453.00925	2.8
461.03519	2.6
463.05258	1.0
493.06088	1.1
514.47803	1.0
530.06085	1.0
583.03333	1.9
613.05005	1.3
742.63727	1.0
763.05334	1.7
855.03638	1.4
857.05353	2.3
885.04663	1.9
887.07660	1.0
901.04749	3.8
903.05475	2.4
913.03674	10.5
914.04407	3.0
915.05396	1.8
931.04254	4.0
932.05652	10.2
933.05933	4.7
935.06940	1.0
945.06287	4.0
963.07239	7.2
964.08112	29.1
965.08643	6.2
979.04663	1.3
981.06158	1.1
997.05878	3.3
1007.03888	1.2
1025.05652	15.5
1026.05383	3.2
1029.09351	1.3
1055.05701	1.2
1057.07898	17.3
1058.07800	4.0
1065.05505	1.8
1083.06116	5.9
1087.07092	1.4
1101.06885	1.3
1115.09106	5.0
1116.09521	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	1147.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02861	0.3
89.03831	0.6
91.01731	0.3
93.03321	0.3
95.01254	1.4
96.95906	0.3
107.01221	0.6
109.02862	0.4
111.00784	0.3
115.01789	0.7
117.03360	2.1
119.01273	0.3
119.04901	0.8
121.02852	0.6
123.00764	2.7
124.01504	0.5
125.02328	3.4
129.03336	0.8
131.01260	1.0
131.04924	0.4
132.02066	1.2
132.25764	0.3
133.02837	2.3
135.04364	0.6
137.02338	0.7
139.00266	0.5
141.03313	0.4
143.01268	1.0
145.02847	6.3
147.00764	1.3
147.04434	1.8
148.01566	0.5
149.02338	1.2
151.00276	0.5
157.02835	1.2
159.00775	1.3
159.04401	1.1
160.01553	1.5
161.02348	5.1
162.03134	0.8
163.00255	1.0
163.03889	2.8
164.01018	0.4
165.01833	0.4
166.99771	1.3
169.01344	4.3
169.02769	0.5
171.00771	2.4
172.01588	1.4
173.02342	6.0
174.03162	0.6
175.00249	0.7
175.03889	1.5
176.01060	0.9
177.01822	2.5
178.99788	1.0
179.03444	0.8
185.02362	3.2
187.00282	4.2
187.03954	0.9
188.01013	1.2
189.01855	6.1
190.02603	3.2
190.99734	0.9
191.03424	2.7
192.00571	0.5
193.01393	0.4
198.03154	0.4
199.00301	1.8
199.03816	0.5
200.01073	1.9
201.01852	6.3
202.99866	0.7
203.03465	3.2
204.00693	0.4
205.01346	1.6
206.02274	0.3
207.02858	0.4
209.06093	0.5
213.01840	1.1
214.02594	0.6
214.99779	5.9
215.03325	0.6
216.00574	3.8
217.01360	9.7
218.01958	1.4
218.99290	0.4
219.02888	1.2
222.01686	0.3
225.01816	0.3
225.05469	0.3
226.99817	2.0
227.03525	0.8
228.00523	1.7
229.01366	9.2
230.02055	1.3
230.99261	1.2
231.02951	3.0
232.00020	0.7
233.00922	1.4
233.04533	0.4
234.01503	0.3
239.03413	0.3
242.99303	6.9
243.03108	0.8
244.00063	3.7
245.00882	12.4
246.01500	1.3
247.02400	3.6
248.03183	1.0
249.03990	3.2
253.01421	0.5
253.04953	0.5
254.99289	1.2
256.00107	0.4
257.00870	5.8
258.01544	1.3
258.98877	0.8
259.02448	0.6
259.99625	2.0
261.00388	2.7
261.04071	0.7
267.02872	0.4
269.01105	0.3
270.98837	19.2
271.99527	2.9
273.00385	16.9
274.01212	3.1
275.01956	11.6
276.02274	0.6
277.03540	0.9
281.04498	0.4
282.01758	0.3
282.98853	0.3
283.02365	0.5
283.99652	3.4
285.00385	1.5
285.04016	0.6
286.01129	0.4
286.98309	1.6
287.01965	0.9
287.99042	0.5
288.02148	0.3
288.99826	1.0
290.00446	0.5
291.01474	1.5
295.02332	0.4
297.03842	0.7
298.98337	24.0
299.93970	0.4
299.95560	0.6
299.99091	23.1
300.99875	100.0
302.00241	3.9
303.01541	2.4
305.03073	1.3
309.00375	0.4
312.99915	0.8
314.98041	0.5
315.01428	0.6
315.98584	0.4
316.01962	0.4
316.99396	3.3
319.00693	0.5
321.02600	0.7
327.01312	0.3
331.01050	1.9
340.99338	0.4
343.00821	1.0
347.00516	0.8
349.02060	2.9
407.00623	0.8
417.04712	0.5
425.01520	0.3
433.04092	0.7
443.02362	0.5
445.04095	1.9
450.99414	1.1
461.03705	2.3
463.05124	1.6
469.00372	0.9
483.01984	2.0
493.06155	0.7
569.05505	0.4
575.00952	0.4
595.03479	0.4
613.04755	2.0
631.05829	1.2
745.03766	0.7
763.04541	0.7
765.05322	0.5
774.41376	0.4
777.06244	0.4
795.07043	0.5
871.07080	0.4
885.04517	0.8
901.07379	0.4
903.04822	0.8
904.06567	0.4
913.03607	3.4
914.03467	0.5
915.05316	1.0
917.06744	0.4
927.06110	1.1
929.06720	1.1
931.04309	1.9
932.05853	3.2
933.06421	23.2
934.05585	2.2
945.06146	2.9
946.06458	0.6
947.08411	1.0
963.07556	3.8
964.08215	11.2
965.08960	29.5
966.08887	3.3
1078.87671	0.3
1097.06824	0.4
1115.08765	3.9
1116.08667	0.5
1129.13501	0.3
1147.10706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
79.63194	0.2
89.03822	0.3
95.01252	1.4
96.95853	0.4
98.20563	0.4
107.01241	0.6
111.00744	0.4
115.01767	0.6
117.03323	2.4
119.01241	0.4
119.04898	0.6
121.02866	0.6
123.00764	2.6
124.01558	0.6
125.02345	3.7
129.03360	0.7
131.01295	1.1
132.02037	0.8
133.02867	1.8
135.04446	0.3
141.01828	0.3
143.01285	1.4
143.04922	0.4
145.02858	5.4
145.68578	0.3
147.00737	0.8
147.04422	1.4
148.01483	0.4
148.59782	0.3
149.02348	0.6
151.00259	0.3
153.01813	0.3
157.02837	1.7
158.03725	0.3
159.00775	1.1
159.04402	1.1
160.01587	1.7
161.02357	5.4
162.03101	0.8
163.00259	1.2
163.03914	2.1
164.01079	0.5
165.01880	0.5
166.99757	0.9
169.01346	3.8
171.00803	2.2
171.04387	0.5
172.01570	0.8
173.02347	4.9
174.03117	0.6
175.00276	0.6
175.03940	2.3
176.01038	0.9
177.01805	2.5
178.99802	1.1
179.03401	0.6
183.04335	0.5
185.02330	3.2
186.03194	0.3
187.00284	4.3
187.03946	0.9
188.01051	1.4
189.01843	6.5
190.02609	3.5
190.99818	0.6
191.03410	2.6
193.01309	0.4
199.00296	1.3
199.03961	0.4
200.01065	1.9
201.01872	6.0
202.02568	0.7
202.99814	1.0
203.03412	3.1
204.00545	0.3
205.01405	0.9
205.05013	0.3
207.02913	0.3
209.06134	0.3
211.03966	0.4
213.01855	0.9
214.02745	0.4
214.99789	5.6
215.03262	0.5
216.00555	3.8
217.01375	9.4
218.02075	1.3
218.99237	0.5
219.02884	1.3
221.04462	0.3
222.01433	0.4
223.04053	0.3
225.05675	0.4
226.02806	0.4
226.99829	2.7
227.03430	0.5
228.00607	2.0
229.01366	9.3
229.04851	0.5
230.02100	1.4
230.99336	0.8
231.02939	3.1
232.00037	0.6
233.00882	1.1
233.04562	0.4
234.01707	0.3
234.70206	0.3
235.02377	0.4
240.00650	0.3
242.02069	0.4
242.96864	0.5
242.99303	6.7
243.01949	0.4
243.02986	0.6
244.00063	3.5
245.00876	12.0
246.01524	1.4
247.02422	3.5
248.03171	0.8
249.03946	3.4
249.06264	0.3
251.03465	0.4
253.01491	0.3
254.99286	0.8
255.02873	0.8
256.00140	0.4
257.00888	5.2
257.03815	0.4
257.04575	0.4
258.01563	1.1
258.98938	1.5
259.02353	1.0
259.99561	2.0
261.00354	2.3
261.03906	0.7
267.02982	0.3
269.00961	0.4
270.98840	19.4
271.99484	3.0
273.00385	16.7
274.01151	3.0
275.01971	13.0
276.02399	0.8
277.03540	1.0
279.03201	0.3
282.01520	0.3
282.98584	0.3
283.02451	0.4
283.99643	3.2
285.00330	2.1
285.97647	0.4
286.98846	1.3
287.02005	1.2
287.99002	0.3
288.99963	1.3
290.00714	0.6
291.01498	1.6
297.00546	0.5
297.04041	0.4
297.97534	0.3
298.98340	26.2
299.99091	25.2
300.99878	100.0
302.00278	3.9
302.98199	0.4
303.01389	2.2
305.02850	1.8
308.03049	0.3
309.00278	0.4
312.99899	0.6
315.01358	0.8
316.99411	3.0
319.00882	0.4
321.02872	0.4
325.00049	0.6
331.00946	2.2
340.98956	0.3
343.00949	0.6
347.00528	0.5
349.01999	3.2
351.01151	0.3
353.03207	0.5
389.05273	0.3
399.03894	0.3
407.00534	0.7
417.04852	0.4
425.01633	0.6
427.03458	0.3
433.04193	0.7
443.02411	0.6
445.04211	1.8
450.99448	1.1
461.03705	1.7
463.05203	1.6
465.06165	0.3
469.00613	1.5
483.02051	2.3
493.06189	0.5
595.03479	0.6
613.04614	1.5
631.05762	0.9
632.06567	0.3
716.52911	0.3
745.04309	0.4
763.04358	0.6
765.06183	0.4
795.06525	0.5
885.04626	0.6
889.07416	0.4
901.07379	0.5
903.04865	0.4
905.06665	0.4
913.03680	2.7
914.03198	0.7
915.05371	1.1
927.05609	0.8
929.06702	1.5
931.04510	1.4
932.05542	3.4
933.06335	21.8
934.06647	2.8
945.06494	2.9
945.24188	0.4
946.06567	0.8
947.07568	1.7
963.07202	3.9
964.08191	10.1
965.08990	30.1
966.09766	3.9
977.10309	0.5
1097.08032	0.8
1115.08374	3.9
1116.08679	0.9
1147.11877	1.7
1148.10425	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	1133.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
82.80907	0.4
84.66105	0.4
86.90212	0.4
93.03355	0.5
95.01244	1.9
101.03866	0.5
105.03352	0.6
107.01273	0.6
109.02840	0.5
117.03329	2.3
119.01233	0.6
119.04925	1.2
121.02838	0.9
123.00774	3.1
124.01479	0.7
125.02361	1.9
129.03308	0.5
131.01273	1.5
131.04922	0.7
132.02058	0.7
133.02844	2.7
133.03665	0.4
135.04414	1.0
137.02318	0.8
139.00220	0.5
143.01315	1.2
145.02844	6.9
147.00769	0.9
147.04416	1.7
148.01537	0.5
149.02330	0.9
155.30716	0.5
157.02863	1.7
159.00772	1.5
159.04341	0.8
160.01611	0.8
161.02336	5.1
163.00310	2.3
163.03908	2.9
164.01181	0.5
165.01814	0.7
166.99794	1.0
169.01270	2.5
171.00775	2.1
172.01521	1.1
173.02344	5.8
175.00217	0.7
175.03880	2.2
176.01039	1.0
177.01862	3.1
177.03210	0.5
178.99704	0.7
179.03462	0.8
185.02368	4.1
187.00281	5.5
187.03894	0.5
188.01022	1.3
189.01845	7.0
190.02591	2.2
190.99887	0.8
191.03394	3.9
192.00531	0.6
193.01288	0.6
199.00371	2.0
200.01053	1.6
201.01854	6.2
202.99796	0.5
203.03377	3.1
205.01344	1.3
211.03854	0.6
213.01826	0.7
214.99815	7.8
215.03328	0.4
216.00562	3.7
217.01360	9.6
218.01988	1.5
218.99496	0.6
219.02878	1.5
221.45006	0.4
226.99747	2.2
227.03381	0.6
228.00554	1.8
229.01367	10.1
230.02094	1.4
230.99321	1.3
231.02913	2.7
231.99919	0.5
233.00822	1.4
235.02333	0.7
241.05031	0.6
242.99306	9.4
243.03033	0.8
244.00027	2.8
245.00877	16.7
246.01385	1.4
247.02444	6.0
248.03180	1.4
249.03947	2.9
254.99290	1.2
257.00903	6.0
258.01538	1.2
258.98792	1.1
259.02246	0.9
259.99640	1.4
261.00369	3.4
270.98828	31.1
271.99475	2.7
273.00388	23.2
274.01086	3.6
275.01959	14.6
279.03000	0.6
280.03644	0.5
282.98691	0.5
283.99609	4.0
284.02524	0.7
285.00424	4.3
286.98248	1.8
288.02243	0.5
288.99869	1.8
291.01273	2.1
295.02390	0.6
297.00424	0.5
298.98312	41.4
299.99078	24.8
300.02646	0.8
300.99872	100.0
302.00211	4.3
303.98639	0.9
309.03992	0.5
314.00598	0.6
314.97656	0.8
315.01331	0.9
316.99341	4.8
317.03064	1.4
324.02902	0.5
340.99496	0.5
343.00989	1.0
405.04709	0.6
417.04672	0.5
425.01566	3.6
435.05377	0.7
443.02896	0.8
445.04080	1.8
450.99365	1.0
461.03467	3.3
463.05264	2.6
483.02158	2.1
595.03296	0.8
613.04456	2.0
615.05945	0.6
719.05426	0.6
745.03204	1.0
763.04181	2.2
765.05701	1.7
885.04761	1.2
887.05786	1.0
897.03876	0.5
903.05548	2.0
905.06964	1.2
907.08020	0.9
913.03931	5.5
914.03247	0.7
914.75690	0.5
915.05151	2.7
931.05005	6.7
932.05231	6.0
933.06439	27.1
934.06964	3.2
937.06604	0.5
945.06525	0.6
949.06055	1.1
950.06927	2.2
951.07550	2.7
963.06232	0.9
964.08685	1.7
965.09125	1.4
1057.08289	1.8
1089.09766	1.9
1115.08655	3.9
1116.08936	0.6
1133.10217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03828	0.6
91.01788	0.3
92.24536	0.3
93.03342	0.4
95.01252	1.5
101.03889	0.3
103.01796	0.3
107.01210	0.4
108.02058	0.3
110.49746	0.3
111.00755	0.5
115.01768	0.7
117.03328	2.4
119.01293	0.3
119.04920	1.0
121.02839	0.4
123.00763	2.1
125.02319	2.2
129.03365	0.7
131.01283	1.4
131.04872	0.4
132.02048	0.7
133.02838	2.6
135.04384	0.7
143.01251	1.0
145.02849	6.2
147.00771	1.4
147.04399	1.8
148.01582	0.4
149.02350	1.0
151.00266	0.4
157.02832	1.5
158.03537	0.3
159.00742	1.4
159.04433	0.7
160.01535	1.3
161.02336	4.9
163.00276	1.6
163.03899	3.3
164.00952	0.3
165.01920	0.3
166.99733	1.1
167.04971	0.3
169.01392	2.2
169.02690	0.4
171.00787	2.3
172.01541	1.0
173.02351	6.3
174.02957	0.3
175.00284	0.8
175.03937	2.1
177.01863	3.1
179.03392	0.8
183.04488	0.4
185.02356	3.9
187.00272	5.2
187.03873	0.4
188.00984	1.1
189.01852	7.2
190.02600	1.9
190.99847	0.6
191.03410	3.6
195.04419	0.4
199.00319	2.7
199.03894	0.3
200.01094	1.9
201.01842	6.3
202.02312	0.4
202.99786	1.1
203.03435	2.6
204.00394	0.3
205.01382	1.0
207.02888	0.3
211.03979	0.6
213.01859	1.5
214.02605	0.4
214.99786	6.7
215.03117	0.4
216.00598	2.8
217.01357	9.3
218.01927	0.9
219.02831	1.8
223.03891	0.5
226.99831	3.3
227.03439	0.5
228.00542	1.1
229.01363	11.2
230.01982	0.7
230.99271	1.0
231.02959	2.7
232.00021	0.3
233.00844	1.1
235.02405	0.3
237.05569	0.4
241.01479	0.4
242.99304	11.1
243.03102	0.6
244.00052	2.4
245.00867	15.6
246.01341	1.6
247.02431	7.1
248.03127	0.8
249.03984	2.5
251.03479	0.3
253.04982	0.5
254.99287	1.1
255.03073	0.8
256.00067	0.4
257.00864	6.8
258.01575	1.1
258.98868	1.1
259.02484	0.6
259.99606	1.3
261.00366	3.3
263.01929	1.0
267.02933	0.8
269.00824	0.4
270.98828	32.1
271.99368	2.6
273.00388	22.8
274.01044	2.6
275.01938	12.4
276.02304	0.7
282.99109	0.4
283.02377	0.7
283.99664	4.0
285.00421	3.0
285.03616	0.5
285.97507	0.3
286.98395	1.6
287.98892	0.5
288.99850	0.9
291.01355	2.0
295.02393	0.4
297.03931	0.4
298.98318	40.6
299.99057	17.7
300.02618	0.4
300.99866	100.0
302.00226	4.2
312.99860	0.6
314.97876	0.4
315.01401	0.7
315.98395	0.4
316.99390	4.8
319.00748	0.4
324.99628	0.5
327.01477	0.4
340.99286	0.5
343.00833	1.2
376.99200	0.4
392.98584	0.3
399.03616	0.4
399.87943	0.3
405.04736	0.4
417.04544	0.4
425.01242	0.6
433.04306	0.8
443.02731	0.6
445.03998	2.0
450.99524	1.5
461.03555	3.2
462.04279	0.3
463.05139	2.1
479.04495	0.5
483.02121	1.0
569.04883	0.3
583.04242	0.3
595.03680	0.7
601.04834	0.7
613.04932	1.3
615.05865	0.4
631.05731	0.6
735.04504	0.7
745.03351	2.2
747.05652	0.4
761.01801	0.3
763.04205	5.0
764.04932	0.7
765.05151	1.4
781.05786	0.8
871.07202	0.3
885.04285	1.3
887.04987	0.4
895.02222	0.8
897.03345	0.6
903.05615	1.3
904.05804	0.3
905.06104	0.4
907.08423	0.6
913.03851	5.3
914.04059	0.7
915.05023	1.7
917.06171	0.4
931.04852	6.4
932.05347	4.1
933.06323	32.6
934.06769	3.8
945.06097	3.0
949.05713	2.1
950.06445	1.6
951.07324	5.0
952.08026	0.7
963.07794	1.4
1083.06104	0.6
1115.09302	2.5
1133.09570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
81.12704	0.2
89.03864	0.3
91.01807	0.3
95.01277	1.5
97.02818	0.4
105.03350	0.4
107.01282	0.4
108.02052	0.3
109.02877	0.2
111.00726	0.3
115.01780	0.7
117.03346	2.0
119.01273	0.5
119.04916	0.8
121.02860	0.6
123.00771	3.0
123.04504	0.3
125.02328	2.6
129.03348	0.4
131.01265	1.3
131.04906	0.5
132.02052	0.8
133.02838	2.4
135.04398	0.7
137.02307	0.4
139.00264	0.4
143.01286	0.9
145.02837	4.9
145.03893	0.3
146.03575	0.4
147.00789	1.1
147.04437	2.1
148.01569	0.3
149.02354	0.9
151.00247	0.6
157.02829	1.4
158.03661	0.3
159.00766	1.7
159.04393	0.6
160.01567	1.2
161.01041	0.4
161.02344	4.9
162.03070	0.4
163.00287	1.3
163.03908	2.9
164.01056	0.6
165.01825	0.4
166.99815	1.4
169.01344	2.3
169.06442	0.3
171.00787	2.2
172.01563	0.9
173.02338	5.6
174.03006	0.3
175.00276	0.7
175.03893	1.9
176.01054	0.7
177.01842	3.5
178.99835	0.3
179.03403	0.6
183.02980	0.2
183.04593	0.2
185.02354	4.3
187.00279	5.1
187.03853	0.6
188.01060	1.4
189.01846	7.2
190.02589	2.1
190.99849	1.0
191.03415	4.4
192.00575	0.4
193.01385	0.4
195.04553	0.3
199.00372	1.6
199.03903	0.5
200.01123	1.5
201.01836	6.2
202.02498	0.4
202.99802	0.9
203.03438	2.8
204.00569	0.3
205.01402	1.3
207.02777	0.4
209.00610	0.3
211.03976	0.3
213.01840	0.8
213.99278	0.2
214.02675	0.5
214.97734	0.4
214.99794	7.5
215.03296	0.6
216.00587	3.4
217.01363	9.2
218.02039	1.4
219.02924	2.5
221.04527	0.2
222.01683	0.4
223.04053	0.2
225.05563	0.4
226.99815	2.0
227.03374	0.5
228.00578	1.3
229.01373	8.7
229.04973	0.5
230.02002	0.8
230.34052	0.2
230.99278	0.9
231.02933	3.2
232.00070	0.8
233.00838	1.2
234.01601	0.4
235.02335	0.4
239.03528	0.5
240.04202	0.2
241.01324	0.3
241.05151	0.4
242.02177	0.3
242.99315	8.6
243.03148	0.5
244.00076	2.8
245.00867	16.0
246.01424	1.0
247.02435	6.3
248.03163	1.5
249.04025	2.7
251.03397	0.4
253.05141	0.4
254.99402	1.1
255.03038	0.3
256.00076	0.4
257.00876	6.3
257.04807	0.3
258.01605	1.3
258.98843	1.4
259.02478	0.4
259.99637	1.9
261.00342	3.7
261.03513	0.3
263.01926	0.3
266.99115	0.3
267.02902	0.2
269.00986	0.2
270.98825	26.1
271.99481	2.7
272.02512	0.3
273.00391	23.0
274.01102	3.7
275.01953	13.0
275.30698	0.2
276.02090	0.3
279.03168	0.3
281.04453	0.5
282.01544	0.3
282.98840	0.5
283.02414	0.5
283.99597	3.3
285.00272	2.1
286.98343	1.9
287.01434	0.4
288.99930	1.4
290.00464	0.3
291.01428	2.2
295.02322	0.3
297.00586	0.4
297.03897	0.5
297.97464	0.3
298.98318	33.1
299.99075	23.1
300.99863	100.0
302.00198	4.6
302.97842	0.5
303.01236	0.4
303.98593	0.6
304.99219	0.3
309.03876	0.3
310.98502	0.3
311.01828	0.3
312.99661	0.3
314.00595	0.4
314.97998	0.5
315.01511	0.9
316.99402	4.7
317.02844	0.3
323.01956	0.5
325.03415	0.4
329.02762	0.4
336.99863	0.4
339.01157	0.4
340.99448	0.4
343.00888	0.9
343.04568	0.2
349.01868	0.3
353.03098	0.3
367.00919	0.4
381.02640	0.3
389.05121	0.3
392.98712	0.7
399.03128	0.2
401.05353	0.4
405.04538	0.3
407.00452	0.6
408.98703	0.2
417.04428	0.5
425.01453	0.5
427.02893	0.6
433.04010	0.9
435.05630	0.4
443.02414	0.7
445.04013	2.6
450.99554	1.3
453.01483	0.2
461.03540	3.1
462.04236	0.3
463.05136	2.6
469.00183	0.3
483.01965	1.8
595.03546	0.8
601.05103	0.4
613.04419	2.3
614.04962	0.3
615.06036	0.4
631.06140	1.0
647.71155	0.2
715.01099	0.3
717.02942	0.3
734.02759	0.3
735.04382	0.4
737.06097	0.3
745.03107	0.8
747.06116	0.2
763.04388	1.1
765.05762	1.7
781.05994	0.2
859.06494	0.3
878.08270	0.3
885.04053	0.6
887.05548	0.4
897.04089	0.6
903.06171	1.2
904.05115	0.5
905.06604	0.8
907.08392	1.0
913.03650	4.3
914.03986	1.1
915.05536	1.8
916.05109	0.4
931.04913	3.7
932.05530	8.3
933.06317	46.2
934.06848	6.5
945.06018	0.3
947.07947	0.3
949.06146	2.0
950.06561	6.7
951.07355	12.7
952.07916	2.0
964.07684	0.3
1083.06604	0.5
1115.08325	1.4
1116.07117	0.4
1133.09253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03841	0.3
91.01786	0.2
93.03336	0.3
95.01266	1.6
97.02814	0.3
98.20624	0.2
101.03825	0.3
105.03329	0.5
107.01270	0.3
107.04900	0.2
109.02829	0.2
109.26548	0.2
111.00780	0.3
115.01743	0.4
117.03336	2.1
119.01237	0.4
119.04926	1.0
121.02824	0.6
123.00774	2.9
123.04399	0.2
124.01565	0.2
125.02328	2.2
129.03365	0.7
130.04025	0.2
131.01262	1.3
131.04910	0.3
132.02057	0.8
133.02844	2.1
135.00764	0.2
135.04422	0.5
137.02342	0.5
139.00246	0.3
141.03377	0.2
143.01277	0.6
144.02066	0.2
145.02852	5.2
146.03522	0.2
147.00761	1.1
147.04411	1.6
148.01619	0.4
149.02324	0.6
151.00212	0.3
151.03922	0.2
153.01833	0.2
155.01318	0.2
157.02893	1.6
158.03644	0.3
159.00757	1.3
159.04427	0.8
160.01561	0.9
161.02348	4.4
162.02956	0.3
163.00253	1.6
163.03908	2.7
164.01051	0.3
164.04559	0.2
165.01866	0.5
166.99786	1.2
168.00511	0.2
169.01366	1.9
169.02768	0.3
171.00804	1.7
171.04416	0.2
172.01517	0.6
173.02356	5.2
174.02878	0.3
175.00241	0.6
175.03925	1.8
176.01047	0.5
177.01828	2.9
178.99757	0.3
179.03419	0.5
181.06490	0.2
183.04391	0.3
185.02357	3.5
187.00282	4.4
187.03885	0.7
188.01093	1.2
189.01849	6.3
190.02603	1.7
190.99760	0.7
191.03409	3.7
192.00514	0.3
193.01328	0.5
194.99348	0.2
197.06030	0.2
198.03186	0.2
199.00285	1.2
200.01019	1.4
201.01849	5.9
202.02565	0.5
202.99739	0.7
203.03432	2.6
204.00560	0.3
204.03925	0.2
205.01389	1.0
206.02209	0.2
207.02895	0.4
209.00790	0.3
211.03894	0.3
213.01816	0.9
213.05409	0.2
214.02536	0.2
214.99802	5.7
215.03152	0.3
216.00580	2.5
217.01358	8.0
218.02026	0.8
218.99310	0.4
219.02939	2.0
221.04370	0.3
222.01596	0.2
223.04002	0.2
225.05370	0.4
226.99814	1.9
227.03394	0.4
228.00598	1.1
229.01363	8.6
229.04991	0.3
230.01907	1.1
230.99263	0.7
231.02942	2.9
232.00005	0.4
232.03439	0.2
233.00810	1.0
235.02415	0.5
239.03418	0.5
240.00661	0.2
241.01369	0.5
241.05046	0.2
242.02184	0.2
242.99312	8.5
243.03142	0.5
244.00050	2.0
245.00877	15.5
246.01338	1.1
247.02428	5.8
248.03189	1.0
249.03986	2.4
251.03291	0.3
253.01509	0.2
254.99330	0.9
255.02936	0.5
256.00046	0.3
257.00870	6.0
258.01532	1.5
258.98822	1.1
259.02438	0.6
259.99646	1.4
261.00360	2.8
263.01956	0.5
267.02972	0.3
269.01065	0.3
269.04410	0.5
270.98828	23.7
271.99429	2.2
273.00388	20.9
274.01044	2.7
275.01953	12.7
275.05045	0.3
276.02316	0.3
279.03003	0.2
281.04468	0.2
282.98947	0.4
283.02332	0.5
283.99622	3.8
285.00403	2.1
285.03714	0.3
286.01074	0.2
286.98386	1.9
287.01688	0.3
288.99875	1.1
290.00674	0.5
291.01343	1.6
295.02362	0.3
296.02969	0.2
297.04007	0.3
298.98322	30.0
299.99063	15.7
300.99869	100.0
302.00229	4.5
302.97821	0.2
303.98557	0.4
309.03992	0.2
311.01944	0.3
311.05408	0.2
312.99881	0.7
313.03226	0.3
314.00595	0.4
314.97644	0.5
315.01462	0.9
316.99374	4.4
317.02591	0.2
317.99777	0.3
319.00775	0.3
323.01987	0.4
325.03540	0.2
327.01373	0.3
340.99316	0.4
341.03024	0.3
343.00873	1.1
353.02969	0.3
367.00586	0.3
383.04083	0.2
389.05127	0.2
399.03543	0.2
401.05069	0.3
405.04489	0.4
417.04575	0.6
425.01456	0.3
431.02335	0.3
433.03983	0.5
435.06009	0.3
443.02570	0.8
445.04135	2.3
450.99283	0.9
461.03662	2.9
463.05081	2.8
483.02072	0.4
569.06158	0.2
595.03741	0.8
601.04846	0.5
603.06238	0.2
613.04926	1.9
614.05255	0.3
615.05957	0.3
631.05890	0.9
717.02893	0.3
719.04718	0.2
727.03046	0.3
729.04022	0.2
735.04858	0.3
745.03235	0.4
747.05145	0.3
763.04211	1.3
765.05524	1.6
783.06305	0.2
790.71667	0.2
884.88263	0.2
885.04102	0.7
887.05133	0.2
889.07538	0.2
895.02820	0.4
897.04541	0.3
903.05237	1.3
904.05969	0.4
905.06305	0.4
907.08423	0.7
913.03827	4.5
914.04486	0.6
915.05194	2.0
916.05371	0.2
931.04785	5.1
932.05518	3.7
933.06335	45.7
934.06641	6.5
945.07086	0.3
949.05853	2.6
950.06598	2.7
951.07361	14.4
952.07666	2.3
965.08160	0.3
1083.05273	0.4
1101.06445	0.8
1115.07727	0.7
1133.08301	0.8
1134.09229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	59.3
87.10562	0.6
96.96851	4.6
115.71461	0.5
150.97891	1.0
152.99490	94.8
153.99838	0.7
163.52881	0.6
171.00552	25.8
172.00941	0.6
180.53584	0.5
227.03220	4.0
236.92795	0.6
245.04289	100.0
246.04561	1.7
253.21710	39.5
254.22047	1.5
353.98926	0.6
443.79233	0.5
476.94803	0.6
481.25714	96.7
482.26025	5.5
1123.48987	18.2
1124.49695	3.7
1164.60779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.09
Annotation	Unknow
Peak:m/z	Relative Intensity
79.64317	0.7
88.37868	0.8
92.99675	1.0
94.41778	0.7
95.01265	8.3
98.20568	0.7
111.00722	0.9
117.03362	1.4
123.00758	1.6
125.02324	3.4
133.02832	2.0
137.02310	0.9
139.00206	2.2
145.02815	3.5
147.00761	1.1
147.04384	1.5
153.01903	1.1
157.02887	1.4
159.00705	1.1
159.04446	1.0
161.02354	4.7
163.00330	4.4
163.03931	1.9
164.98218	7.1
165.01868	2.1
166.99727	1.4
168.99672	0.7
169.01312	2.8
171.00784	1.2
173.02299	4.1
175.03947	1.2
177.01820	2.3
178.99689	1.0
179.03409	0.8
184.00037	1.0
185.02368	3.7
187.00307	1.7
187.03935	1.2
188.00792	1.0
189.01868	6.7
190.02567	0.8
190.99747	2.0
191.03482	2.5
201.01889	6.0
202.99673	0.8
203.03435	3.4
205.01335	2.5
206.99196	0.8
209.00891	2.7
213.01993	1.1
214.99770	3.2
216.00436	1.0
217.01390	6.4
219.02930	1.4
225.00307	1.3
226.99887	2.0
227.03452	1.0
229.01381	10.1
230.01939	0.9
230.99289	1.7
231.02951	2.9
233.00822	1.7
242.02362	0.9
242.99278	5.1
243.02939	1.1
244.00008	2.0
245.00870	10.6
246.01308	1.5
247.02409	6.6
249.04022	2.3
254.99243	0.9
257.00909	6.4
258.01602	1.9
258.98849	0.9
259.02335	1.5
261.00351	4.4
269.00699	1.2
270.98819	15.0
271.99335	2.5
273.00400	13.5
274.01086	2.3
275.02014	16.0
275.04837	0.6
276.02420	1.0
283.99570	2.2
285.00516	2.9
286.98340	2.4
287.01874	1.7
287.98865	1.6
288.99841	3.3
291.01553	3.8
298.98322	21.0
299.99042	10.3
300.99887	100.0
302.00183	5.7
310.98416	1.3
312.99869	1.6
314.97800	2.0
315.01291	1.4
315.98587	4.7
316.99362	94.5
317.99799	4.8
333.02875	0.8
338.97748	1.0
343.00818	1.2
435.05804	0.9
445.04071	1.6
461.03491	1.2
463.05048	4.9
501.03220	2.1
519.04028	1.2
633.07184	1.8
671.05176	1.5
763.04877	1.2
765.05707	2.8
783.06769	2.8
803.03906	1.4
821.04803	2.2
897.06421	1.8
905.06189	1.1
915.05847	1.1
933.07214	2.6
949.04944	1.2
951.07733	4.9
953.02991	1.9
971.03705	1.4
989.05139	2.5
1065.07544	2.3
1107.07068	1.5
1125.07861	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	1119.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01244	2.5
105.03349	0.8
107.01292	0.7
108.33656	0.6
115.01798	1.0
117.03336	2.2
119.04910	1.0
121.02843	1.1
123.00761	4.8
125.02317	1.6
131.01256	2.2
132.02039	2.1
133.02837	2.7
135.04425	0.6
137.02335	0.8
140.01076	0.7
143.01286	1.7
145.02858	7.3
147.00807	2.4
147.04422	2.2
149.02359	1.4
157.02853	1.6
159.00752	2.5
159.04440	1.5
160.01573	1.8
161.02336	7.6
163.00256	2.9
163.03879	4.0
165.01801	0.8
166.99803	1.3
169.01366	3.1
169.02716	0.8
171.00764	2.6
172.01544	1.2
173.02383	5.6
175.00249	1.3
175.03923	3.0
176.00961	0.7
177.01865	5.9
178.99744	0.6
185.02342	2.4
187.00272	7.5
188.01041	3.6
189.01834	9.3
190.02608	3.5
190.99768	2.2
191.03406	5.5
193.01556	0.8
199.00311	1.3
200.01015	2.5
200.02835	0.7
201.01831	6.0
202.99760	1.3
203.03416	3.9
205.01347	1.7
213.01811	1.0
213.78636	0.6
214.99806	12.5
216.00583	4.9
217.01337	12.1
218.01982	2.0
218.99152	0.9
219.02917	1.9
222.01445	0.9
225.05429	0.8
226.99855	1.9
227.03325	1.0
228.00580	1.4
229.01389	8.6
230.02043	0.9
230.99338	2.0
231.02914	4.2
232.00154	1.3
233.00987	1.7
242.99306	10.1
244.00020	3.7
245.00856	20.2
246.01462	1.7
247.02390	8.0
248.03149	3.5
249.03993	4.2
254.99368	0.9
257.00861	6.1
258.01636	1.7
258.98807	3.1
259.02524	1.1
259.99634	3.1
261.00308	4.5
267.02945	0.8
270.98831	32.6
271.99445	4.5
273.00388	23.6
274.01151	5.9
275.01965	18.0
282.98959	0.9
283.99567	3.5
285.00412	1.8
286.98334	2.6
287.01776	0.8
288.99942	1.1
291.01495	2.6
295.02444	0.7
298.98309	36.0
299.99081	38.4
300.99872	100.0
302.00208	6.4
303.98560	2.2
314.00677	0.7
314.97696	0.9
315.01331	1.2
316.99265	4.1
343.00940	0.8
353.02991	0.9
415.03070	0.8
422.99854	2.6
425.01669	1.7
433.04013	1.5
445.03931	2.7
450.99423	1.0
461.03534	2.6
463.05206	2.5
603.05536	0.8
613.04712	1.5
631.05524	0.9
735.05341	0.9
747.02966	0.9
763.04352	2.2
765.06128	1.4
885.05243	1.0
887.05286	1.1
903.05200	1.1
904.06110	1.5
913.03186	4.4
914.03851	1.2
915.06030	3.5
916.06854	0.9
931.04901	5.4
932.05402	16.3
933.06299	34.3
934.06641	5.7
949.05432	2.4
950.06500	7.5
951.07336	7.8
952.08044	1.8
1057.08154	16.1
1058.08252	3.3
1075.09131	8.2
1076.08875	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	1117.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01737	0.2
81.05491	0.2
82.25422	0.2
89.03855	0.2
95.01257	1.0
97.02837	0.2
105.03373	0.3
117.03314	1.5
119.04915	0.6
121.02837	0.3
123.00764	2.2
124.01549	0.2
125.02338	2.9
129.03355	0.4
131.01282	0.4
131.04897	0.3
132.02057	0.3
133.02841	1.4
135.04422	0.4
137.02351	0.2
141.01794	0.2
143.01273	0.4
145.02856	4.2
147.00742	0.5
147.04417	1.1
148.01485	0.4
149.02335	0.7
151.00276	0.3
156.02010	0.2
157.02896	0.9
158.03659	0.2
159.00790	0.7
159.04424	0.7
160.01546	0.6
161.02357	3.1
162.03111	0.5
163.00261	0.4
163.03897	1.8
164.01035	0.2
165.01807	0.2
166.99763	0.7
169.01353	3.1
170.01563	0.2
171.00844	0.8
172.01498	0.5
173.02351	3.7
174.03061	0.3
175.00307	0.2
175.03954	1.6
176.01068	0.3
177.01794	1.2
178.99745	0.8
179.03406	0.4
183.04390	0.2
185.02376	3.3
187.00253	1.4
187.03957	0.5
188.00984	0.5
189.01849	4.3
190.02618	2.1
190.99799	0.3
191.03435	2.0
192.00490	0.2
193.01318	0.3
195.04451	0.2
199.00296	0.8
199.03911	0.3
200.01021	0.8
201.01848	4.8
202.02312	0.4
202.99664	0.2
203.03432	2.6
204.00575	0.2
205.01379	0.8
205.05003	0.2
207.02995	0.2
211.03963	0.2
213.01791	1.0
214.02699	0.2
214.99794	1.8
215.03496	0.3
216.00601	1.7
217.01367	6.7
218.02028	0.7
218.99245	0.2
219.02873	0.9
222.01610	0.2
226.99863	1.2
227.03455	0.4
228.00610	1.0
229.01364	8.5
230.01843	0.8
230.99323	0.5
231.02904	2.4
231.99947	0.3
233.00836	0.9
233.04445	0.3
234.01549	0.2
241.05058	0.2
242.99316	3.2
243.03091	0.5
244.00047	2.1
245.00865	9.9
246.01585	1.0
247.02382	2.4
248.03130	0.5
249.03984	2.3
254.99248	0.7
255.03038	0.3
257.00891	5.1
257.04251	0.2
257.04697	0.2
258.01633	1.2
258.98672	0.2
259.02444	0.5
259.99500	0.7
261.00400	1.5
261.03867	0.2
263.01913	0.2
269.01028	0.3
269.04391	0.2
270.98819	9.4
271.02005	0.4
271.99481	1.7
273.00391	11.8
274.01007	1.7
275.01953	10.0
276.02493	0.5
277.03430	0.5
283.02426	0.2
283.99637	2.7
284.02676	0.2
285.00311	0.6
286.98615	0.4
287.01920	0.8
288.99841	0.5
291.01431	0.6
298.98315	9.1
299.01486	0.4
299.99072	8.0
300.99869	100.0
302.00195	5.2
303.01486	1.1
305.03049	1.7
311.01944	0.4
312.99936	0.4
315.01459	0.6
316.99426	1.3
319.00793	0.3
329.03058	0.3
331.00919	1.6
341.02991	0.2
343.00882	0.7
349.01993	2.7
353.03238	0.2
399.03918	0.2
401.04892	0.3
405.04785	0.3
417.30096	0.2
419.06027	0.2
433.04181	0.5
443.02295	0.4
445.03998	1.1
461.03592	1.7
463.05295	0.8
493.06073	0.5
531.21802	0.2
531.90924	0.2
613.04468	1.3
615.07086	0.2
631.05469	1.0
654.43042	0.2
702.41107	0.2
765.05365	0.3
795.07672	0.4
889.06891	0.2
915.04626	0.7
933.06360	25.1
934.06500	3.2
965.08954	50.9
966.09174	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	1117.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
89.77058	0.2
91.72507	0.3
93.03345	0.3
95.01241	1.5
96.95869	0.3
107.01286	0.5
111.00760	0.4
117.03333	1.8
119.01284	0.3
119.04910	0.7
121.02835	0.3
123.00785	2.2
125.02328	3.0
129.03310	0.4
131.01299	0.5
131.04919	0.4
132.02013	0.3
133.02859	2.0
135.04417	0.5
137.02287	0.4
138.03075	0.3
139.00235	0.4
143.01288	0.5
145.02847	4.7
147.00777	0.9
147.04446	1.4
149.02254	0.4
157.02863	1.0
159.00769	0.7
159.04410	0.9
160.00229	0.3
160.01564	0.6
161.02359	4.2
162.03076	0.6
163.00314	0.9
163.03951	1.8
164.00986	0.3
165.01833	0.4
166.99759	0.9
169.01337	3.7
171.00813	1.3
172.01564	0.6
173.02376	4.3
174.03052	0.7
175.00305	0.4
175.03886	1.6
176.00880	0.3
177.01788	1.1
178.99791	0.8
179.03439	0.7
183.04369	0.2
185.00862	0.4
185.02371	3.5
186.02757	0.3
187.00275	2.1
187.03941	0.5
188.00989	0.8
189.01842	5.2
190.02626	2.3
190.99832	0.5
191.03419	2.1
193.01323	0.4
199.00252	0.9
200.01053	0.8
201.01865	5.8
202.02585	0.4
202.99765	0.5
203.03424	3.3
205.01398	0.8
207.02908	0.5
210.45828	0.3
213.01878	1.1
214.02675	0.4
214.99817	2.8
215.03294	0.7
216.00560	2.2
216.99405	0.5
217.01375	7.4
218.02043	1.0
219.02948	0.9
226.99794	1.3
227.03294	0.6
228.00626	1.3
229.01361	9.7
230.02048	0.9
231.02966	1.8
232.00020	0.6
233.04543	0.5
239.03426	0.3
242.02116	0.5
242.99290	3.9
243.02934	0.3
244.00075	2.7
245.00882	11.0
246.01369	1.4
247.02411	2.3
248.03139	0.5
249.04007	2.3
251.03427	0.5
253.01303	0.3
254.99313	0.8
255.02905	0.3
257.00876	5.2
258.01498	1.1
258.98978	0.3
259.02249	0.4
259.99561	0.5
261.00354	1.5
261.03787	0.2
267.03043	0.4
269.00925	0.4
269.04617	0.3
270.98837	11.6
271.99438	1.7
273.00403	12.2
274.01077	2.0
275.01962	10.0
276.02396	0.8
277.03568	0.9
279.02896	0.4
282.99033	0.5
283.99673	3.3
285.00504	1.4
285.03699	0.4
286.00931	0.5
286.98648	0.3
287.02039	0.8
288.99936	0.5
291.01379	0.9
298.98334	8.9
299.01370	0.3
299.99088	9.7
300.99881	100.0
301.97003	0.5
302.00214	6.0
302.03650	0.3
303.01282	0.9
305.03030	0.8
312.99985	0.4
315.01410	0.6
315.98486	0.5
316.01904	0.3
316.99307	1.5
324.02283	0.3
329.03052	0.3
331.00891	1.6
343.00922	0.8
343.31250	0.3
349.01965	2.6
359.04031	0.3
433.03964	0.6
445.04218	1.6
450.99545	1.4
451.99750	1.1
453.00046	0.4
461.03653	1.8
463.05170	1.2
493.06442	0.4
613.04596	2.0
631.05591	1.2
701.78833	0.3
763.04083	0.4
765.05499	0.7
795.07153	0.5
898.49432	0.3
915.05438	0.7
933.06384	31.6
934.06702	6.0
964.08551	0.5
965.09058	36.7
966.09314	6.1
1085.06738	0.4
1117.09546	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	1117.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
77.69810	0.2
89.03841	0.4
93.03351	0.2
95.01267	0.8
98.19762	0.7
103.01796	0.2
107.01304	0.4
110.96461	0.2
115.01759	0.3
117.03352	1.6
119.04904	0.7
121.02807	0.5
123.00760	1.8
125.02337	2.5
129.03329	0.6
131.01227	0.4
132.02055	0.5
133.02832	1.4
135.04402	0.4
139.00313	0.3
143.01286	0.3
143.04868	0.3
145.02852	4.2
147.00749	0.5
147.04407	1.0
149.02374	0.5
151.00270	0.6
157.02824	0.9
158.03642	0.4
159.00774	0.5
159.04427	0.9
160.01555	0.6
161.02342	3.6
162.03061	0.4
163.00246	0.7
163.03908	2.0
165.01891	0.3
166.99754	0.8
169.01344	3.0
171.00810	1.0
171.04402	0.4
172.01547	0.5
173.02348	4.5
174.02979	0.3
175.00221	0.3
175.03902	1.5
176.01056	0.4
177.01897	1.3
178.99812	0.9
179.03445	0.3
183.04308	0.2
185.00848	0.3
185.02390	3.0
185.05934	0.3
187.00314	1.7
187.03932	0.4
188.01044	0.7
189.01863	3.8
189.05467	0.2
190.02640	1.9
190.99797	0.2
191.03421	1.7
193.01352	0.3
199.00261	1.3
199.04016	0.3
200.01128	1.0
201.01871	5.1
202.02536	0.3
202.99771	0.3
203.03450	2.6
204.00589	0.3
205.01328	0.8
207.02975	0.2
213.01865	0.9
214.02618	0.4
214.99806	1.9
215.03500	0.3
216.00549	1.5
217.01376	6.5
218.01997	0.7
218.99281	0.2
219.02896	1.0
221.04395	0.3
226.02681	0.3
226.99788	1.3
227.03479	0.5
228.00618	1.1
229.01375	7.6
229.04831	0.4
230.01852	0.8
230.64079	0.3
230.99388	0.3
231.02979	2.1
233.00870	0.6
233.04465	0.3
234.01814	0.2
239.03365	0.2
241.01402	0.3
241.05078	0.2
242.02164	0.3
242.99304	3.5
243.03055	0.6
244.00058	1.8
245.00879	10.9
246.01552	1.1
247.02440	2.2
248.03096	0.6
249.04010	2.2
254.99304	0.8
255.02869	0.3
255.99960	0.2
257.00894	5.2
258.01517	1.1
259.02594	0.3
259.99588	0.6
261.00391	1.5
261.04037	0.3
269.01047	0.3
270.98831	9.7
271.99460	1.7
272.03510	0.2
273.00381	13.0
274.01031	1.8
275.01944	9.5
275.05038	0.2
276.02362	0.5
277.03464	0.6
283.99619	3.1
284.02524	0.4
285.00339	0.6
286.98419	0.3
287.01825	0.5
288.99927	0.7
291.01456	0.9
298.98331	9.7
299.99057	7.8
300.02545	0.4
300.99878	100.0
302.00223	5.2
303.01450	0.7
305.02954	1.0
308.67331	0.2
309.03900	0.3
312.99872	0.4
314.00659	0.2
315.01379	0.7
316.99384	1.3
317.02728	0.3
331.00952	1.4
343.00851	0.6
349.01932	1.9
353.02094	0.2
400.92902	0.2
405.04523	0.4
433.04056	0.4
443.02658	0.4
445.04004	1.4
450.99344	0.3
461.03610	1.9
462.03580	0.2
463.05112	1.2
493.06265	0.4
520.83331	0.2
613.04755	1.7
614.04761	0.2
615.06812	0.3
631.05945	0.9
750.92987	0.2
763.04492	0.4
765.06213	0.3
795.06293	0.3
915.05035	0.6
933.06293	27.0
934.06567	3.9
935.06256	0.4
965.08966	46.0
966.09314	6.9
1003.38440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
80.32834	0.7
93.33541	0.8
95.01268	2.5
97.80256	0.7
103.01749	0.7
107.01258	0.9
109.02833	1.2
111.00757	2.4
115.01771	1.2
117.03345	3.6
119.04905	1.3
121.02916	0.9
123.00780	5.3
123.04395	0.7
124.98756	0.7
125.02354	4.6
129.03346	1.4
131.01268	1.9
131.04915	0.8
132.02066	1.5
133.01987	0.8
133.02832	5.1
135.04364	0.9
136.98717	0.9
139.00291	3.9
143.01311	1.0
145.02841	10.2
147.00815	2.4
147.04410	2.9
148.01550	1.5
149.02324	1.9
151.00235	2.0
157.02856	3.1
159.00760	2.8
159.04402	1.7
160.01576	1.7
161.02356	11.6
162.03088	1.8
163.00249	2.6
163.03911	5.7
164.98222	4.4
165.01826	1.3
166.99733	2.0
169.01344	5.3
169.02763	1.4
171.00801	3.9
172.01564	2.2
173.02335	9.6
174.02838	0.8
175.00226	1.9
175.03926	2.4
176.01079	1.1
177.01866	4.1
178.99745	2.0
179.03404	1.4
185.00920	1.0
185.02348	4.6
187.00275	7.4
187.03891	2.8
188.01047	1.7
189.01851	11.5
189.05357	0.7
190.02641	5.5
190.99783	2.1
191.03381	5.5
193.01402	0.9
195.04500	1.8
197.02429	1.5
197.05986	0.8
199.00317	3.0
199.03960	1.1
200.01059	3.6
201.01886	13.6
202.02458	1.6
202.99820	0.8
203.03467	4.3
205.01346	3.3
206.02087	0.9
208.77417	0.7
211.03979	0.9
213.01886	5.2
214.02541	2.8
214.99786	9.5
215.03510	3.2
216.00519	4.6
217.01370	20.4
218.01906	1.9
218.99251	1.3
219.02936	2.2
223.03952	1.7
225.01828	1.2
225.05510	1.2
226.02583	1.1
226.99834	6.0
227.03391	2.1
228.00565	2.3
229.01375	17.2
230.01985	2.4
230.99316	2.3
231.02968	5.3
231.99902	1.1
233.00859	2.8
233.04407	0.9
235.04140	1.2
237.01666	0.8
239.03485	2.6
241.01410	4.0
241.05096	1.5
242.02075	1.4
242.99335	12.5
243.03069	2.0
244.00060	5.1
245.00883	24.9
246.01454	2.9
247.02377	6.8
249.04031	2.3
250.02631	1.0
251.03453	3.4
252.04205	1.0
253.01227	1.0
253.05060	1.8
254.02025	0.8
254.99371	4.7
255.02942	2.6
256.00131	1.6
257.00824	9.2
257.03427	0.9
257.04675	1.1
258.01685	2.5
258.99075	1.5
259.02438	13.3
259.99722	3.5
260.02338	1.1
261.00357	8.7
263.03500	1.6
265.01364	1.0
265.05130	1.2
266.02234	2.0
267.03018	3.6
268.00583	0.8
268.03638	1.1
269.00818	1.7
269.04587	0.9
270.98846	31.8
271.02264	2.5
271.99579	3.5
273.00400	28.9
274.00992	3.3
275.01929	7.8
277.03653	1.9
278.02136	1.1
279.03067	3.8
280.03375	0.9
281.04324	0.8
282.01620	1.4
282.08801	0.8
282.98840	4.4
283.02393	2.7
283.99634	8.1
285.00388	25.0
286.00900	1.2
286.98370	3.0
287.01996	2.3
289.00015	1.0
291.01172	1.5
293.00931	1.8
295.02405	4.3
296.03119	1.8
297.00479	1.7
297.04031	3.2
298.01050	1.2
298.98355	36.6
299.01764	2.5
299.99100	15.1
300.02609	2.1
300.99890	52.1
301.03055	1.9
302.00174	3.3
303.01486	3.0
305.03363	3.4
307.02347	4.6
309.00598	1.4
309.04126	2.5
310.98352	3.5
311.02005	3.0
312.02554	1.1
312.99841	2.0
313.03412	1.3
315.01361	1.2
316.99463	4.4
321.00363	1.9
322.01242	1.5
323.01956	8.0
324.02576	1.5
324.99915	1.6
325.03549	5.4
326.03778	1.1
327.01508	1.0
331.00882	4.1
335.01880	5.1
336.99869	1.8
337.03522	1.5
338.00699	1.0
339.01428	4.7
340.99246	1.1
343.00867	1.5
347.00583	0.8
348.99200	1.5
349.02295	2.2
350.00546	1.0
351.01410	10.3
352.02200	1.8
353.03116	1.4
363.01450	2.5
367.00919	3.3
369.02515	1.0
379.00943	6.5
380.01663	1.1
381.02481	3.4
383.03903	1.2
395.00339	2.0
399.03510	2.0
404.99020	3.7
407.00449	6.6
409.02029	2.4
422.99847	1.8
423.59756	0.8
424.00558	0.8
425.01550	6.4
427.02783	1.4
432.98413	2.5
435.00024	1.9
443.02573	1.4
445.04156	1.3
447.09192	2.3
450.99411	62.7
451.99628	3.6
461.03821	0.8
463.05136	1.6
595.03644	1.0
597.05060	1.1
613.04712	2.0
621.09613	0.9
745.02234	0.9
765.05798	2.7
885.04608	1.1
897.03082	1.4
913.04614	3.8
913.20892	0.8
914.02533	1.2
915.05219	2.8
931.05035	3.2
932.06189	1.2
933.06348	2.4
945.06378	4.4
946.09546	0.9
963.07983	5.2
964.07867	2.0
1065.04517	1.4
1083.05811	35.1
1084.05896	7.9
1115.08484	100.0
1116.08850	19.9
1144.65503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00213	1.9
54.89457	1.7
55.01758	23.6
57.01831	1.9
57.31653	1.4
65.99709	1.8
67.01758	17.7
68.01281	20.4
68.99686	6.5
70.29944	6.8
71.01247	8.0
83.01257	59.3
83.04910	2.5
84.01579	2.5
87.03121	1.7
88.03461	1.6
98.20506	1.6
98.80629	1.7
111.00758	100.0
111.01870	12.0
111.04392	8.7
112.00353	2.4
112.01018	3.1
112.03935	3.5
114.57604	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	111.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	7.4
66.16482	0.7
67.01761	36.2
68.01273	0.9
68.02093	1.0
68.99691	1.2
69.43479	1.9
69.43892	3.8
71.01252	1.8
78.95776	55.4
79.42601	0.6
79.95606	30.7
80.96391	6.0
81.77528	0.7
83.01256	23.8
84.01636	0.9
84.04463	0.7
85.02820	1.5
95.95096	7.0
98.20567	1.4
107.89635	0.9
110.97462	100.0
111.00761	84.8
111.04408	1.0
111.97887	0.9
112.01094	5.8
118.68491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03836	0.4
92.99692	1.2
95.01260	8.8
98.95262	0.3
99.00720	0.3
111.00774	0.3
117.03335	1.0
119.04905	0.3
123.00793	1.7
125.02334	2.7
129.03319	0.4
133.02916	0.5
137.02309	1.0
145.02863	2.1
147.04419	1.0
147.73032	0.3
151.00275	0.3
157.02850	0.9
159.04433	1.2
161.02351	1.1
163.00305	2.5
163.03882	1.1
164.96870	0.4
164.98209	5.8
165.01817	1.5
166.99716	0.5
169.01346	2.4
171.00778	0.5
173.02345	2.9
174.02957	0.5
175.03886	0.9
176.01022	0.3
177.01859	0.8
178.99869	0.6
185.02368	3.2
186.02762	0.4
187.00185	0.5
187.03944	0.6
188.01125	0.3
189.01793	2.3
190.02597	0.9
190.99811	0.9
191.03566	1.4
193.01373	0.6
199.00266	0.3
200.01103	0.5
201.01851	4.0
203.03467	2.8
205.01414	0.7
208.00111	0.4
209.00826	1.8
213.01889	1.5
214.02490	0.5
214.99863	0.7
216.00609	0.8
217.01385	3.0
218.02179	0.5
218.99330	0.3
219.02914	0.8
226.99751	0.8
227.03275	0.3
228.00601	0.6
229.01372	7.8
230.01959	0.4
231.02876	2.5
233.00699	0.4
233.98058	0.9
241.01392	0.9
242.99265	0.8
243.03043	0.5
244.00076	0.8
245.00887	5.6
246.01357	0.8
247.02435	2.1
248.02882	0.5
249.03984	2.4
251.03517	0.3
254.99271	0.8
257.00876	7.0
258.01517	1.6
259.02374	1.0
261.00421	0.8
269.00845	0.5
270.98798	3.1
271.01947	0.4
271.99536	1.0
273.00381	6.6
274.01120	2.1
275.01965	14.7
276.02219	0.9
282.98782	0.4
283.99661	2.8
285.00360	3.4
287.01904	0.5
289.00131	0.3
291.01468	0.7
295.02582	0.3
297.00174	0.4
298.98401	2.5
299.01874	0.6
299.99097	6.8
300.99878	100.0
302.00211	5.1
310.98331	2.0
312.99872	1.2
314.00769	0.4
315.01474	0.9
316.99396	0.7
326.97812	0.3
327.98660	0.3
328.99469	0.5
329.03296	0.4
338.98010	0.5
343.00784	1.6
419.06238	0.3
445.03802	0.7
461.03110	0.6
463.05295	2.4
468.85922	0.3
501.03177	1.1
505.05981	0.4
613.04492	0.3
615.07013	0.5
633.07513	0.9
643.05908	0.3
671.05298	1.5
744.03418	0.3
765.05817	0.9
770.43018	0.3
775.05048	0.3
803.03778	0.6
825.07776	0.4
850.40686	0.4
933.06287	5.3
934.06775	0.6
935.07910	13.3
936.08093	1.3
945.06342	0.9
947.08582	0.6
973.05762	9.8
974.06549	1.3
991.06506	0.4
1049.07642	7.3
1050.07629	0.9
1109.09521	4.5
1110.10059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
78.54321	0.3
92.99689	1.7
95.01263	8.9
104.38905	0.2
107.01283	0.4
109.02835	0.5
109.46156	0.2
111.00779	0.3
117.03353	0.6
119.05001	0.3
120.99226	0.3
121.02836	0.3
123.00766	1.3
125.02342	2.3
128.82266	0.2
129.03394	0.3
131.04840	0.2
133.02803	0.5
137.02335	0.7
139.00294	0.5
141.03383	0.2
145.02853	2.1
147.00804	0.3
147.04407	0.8
149.02318	0.5
151.00305	0.3
157.01726	0.2
157.02754	1.0
157.64761	0.2
159.00777	0.2
159.04408	0.8
161.02347	1.3
163.00276	2.5
163.03923	1.3
164.98201	6.3
165.01845	1.3
166.99733	0.5
169.01318	2.8
171.00800	0.4
171.04501	0.3
172.01630	0.3
173.02321	2.2
175.03912	1.3
176.01093	0.3
177.01836	1.0
178.99765	0.5
179.35370	0.2
183.04538	0.2
185.02390	3.2
187.00244	0.4
187.03943	0.6
189.01854	1.9
190.02620	0.8
190.99767	0.5
191.03450	1.5
193.01324	0.6
199.00383	0.5
200.00993	0.6
201.01877	4.1
202.02542	0.5
203.03465	2.3
205.01279	0.6
208.00087	0.3
209.00838	2.3
211.03949	0.4
213.01906	1.5
214.02551	0.5
214.99828	0.3
215.03409	0.3
216.00604	0.4
217.01358	2.7
218.02086	0.4
219.02899	1.1
226.99809	0.9
227.03436	0.3
228.00636	0.3
229.01376	8.1
230.01895	0.6
231.02942	2.9
233.00813	0.5
233.98026	1.0
234.98775	0.5
241.01341	0.6
241.05132	0.3
242.99336	1.0
243.02931	0.7
244.00058	0.7
245.00877	5.7
246.01459	0.5
247.02422	2.0
248.03154	0.5
249.04018	2.5
254.99304	1.0
257.00885	7.2
257.03595	0.4
258.01501	1.4
259.02383	0.5
261.00409	0.7
269.00845	0.7
270.98856	2.8
271.01962	0.3
271.99387	0.8
272.74667	0.3
273.00400	6.7
274.01120	2.2
275.01968	14.4
276.02271	0.9
282.98792	0.5
283.99625	3.0
285.00360	3.5
287.02066	0.8
291.01483	0.7
295.02457	0.3
297.00516	0.4
298.98407	2.9
299.01593	0.3
299.99106	8.1
300.99881	100.0
302.00229	4.8
310.98318	1.5
312.99960	1.8
313.03308	0.3
314.00583	0.4
315.01303	1.1
316.99414	0.3
317.02872	0.4
319.01007	0.3
323.01993	0.3
326.97806	0.3
328.99231	0.5
329.03128	0.3
338.97763	0.6
343.00925	1.4
445.04187	0.6
447.06082	0.3
461.03650	0.4
463.05185	2.2
473.03253	0.3
501.03253	1.0
505.06253	0.3
613.04968	0.3
633.07495	0.5
671.05371	1.0
740.02795	0.3
765.06213	0.9
775.05035	0.3
803.03497	0.4
825.07520	0.3
933.06128	2.5
934.06104	0.6
935.07996	9.4
936.08069	1.7
945.06854	0.8
947.07813	0.4
973.05780	7.1
974.05701	1.6
1049.07642	4.7
1050.07361	1.0
1109.09851	3.0
1110.09961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
92.92696	0.4
92.99690	1.7
94.92429	0.4
95.01263	9.3
105.34497	0.4
117.03345	0.9
123.00745	1.5
125.02334	2.4
127.44643	0.4
133.02834	0.7
137.02368	0.6
137.45155	0.4
145.02855	2.4
147.04378	0.9
149.02289	0.8
157.02887	1.1
158.03632	0.5
159.04485	0.9
161.02351	1.9
163.00279	2.9
163.03883	1.4
164.98189	5.5
165.01825	2.2
166.99771	0.6
169.01328	2.1
173.02327	3.3
175.03917	1.7
177.01729	0.8
185.02362	4.0
187.00354	0.5
187.03917	0.4
189.01871	2.3
190.02643	1.0
190.99837	1.1
191.03447	1.7
193.01355	0.6
199.00356	0.5
200.01086	0.8
201.01869	4.8
203.03406	3.6
209.00879	1.2
213.01895	1.6
216.00560	0.9
217.01344	3.2
218.02110	0.5
219.02910	1.3
226.99788	0.8
228.00710	0.7
229.01346	9.0
230.01903	0.5
231.02957	2.6
233.00932	0.8
233.98004	1.0
241.01532	0.6
242.99382	1.2
244.00183	1.0
245.00864	6.6
246.01527	0.6
247.02406	3.0
248.03201	0.5
249.04094	2.4
254.99304	1.2
257.00894	6.5
258.01520	1.2
259.02414	0.8
261.00320	0.8
269.00940	0.8
270.98917	3.3
271.01575	0.5
273.00412	6.5
274.01129	1.7
275.01971	13.3
276.02469	0.8
283.22266	0.5
283.99655	3.2
285.00403	3.6
287.01849	1.0
297.00259	0.6
298.98373	2.5
299.99097	8.9
300.99881	100.0
302.00217	5.4
310.98392	1.4
312.32877	0.5
312.99954	1.5
314.00784	0.5
315.01456	1.1
326.97949	0.5
327.01468	0.5
328.99542	0.7
343.00906	1.2
352.05344	0.4
445.04318	0.6
463.05264	1.8
473.04059	0.5
501.03214	1.1
570.47906	0.5
612.33917	0.5
617.77313	0.5
633.07269	0.8
671.05225	1.7
765.06042	0.8
803.03723	0.8
933.06799	4.3
934.06946	0.6
935.07977	14.2
936.08472	1.9
945.08167	0.9
973.05768	11.0
974.06012	1.2
1049.07886	7.0
1050.06934	1.0
1109.10022	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	1103.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
77.75996	0.2
89.03828	0.4
93.03338	0.3
95.01266	1.3
105.03328	0.3
107.01263	0.2
111.00799	0.2
117.03355	1.4
119.01314	0.2
119.04916	0.5
120.18616	0.2
121.02814	0.4
123.00755	2.0
123.04435	0.3
125.02329	2.1
129.03358	0.4
131.01244	0.3
132.02045	0.3
133.02852	1.4
135.04395	0.4
137.02319	0.3
143.01257	0.3
143.04935	0.2
145.02841	4.0
147.00742	0.3
147.04414	1.5
149.02330	0.6
151.00348	0.2
152.35852	0.2
157.02882	1.1
158.03627	0.2
159.00760	0.6
159.04430	0.6
160.01579	0.5
161.02336	3.4
163.00287	0.6
163.03896	2.1
166.99744	0.9
169.01311	1.8
169.02649	0.3
171.00781	0.7
171.04398	0.2
172.01566	0.5
173.02353	4.8
174.02998	0.2
175.00294	0.2
175.03920	1.9
176.01030	0.3
177.01863	1.5
179.03404	0.6
183.04457	0.2
185.02367	3.2
186.02710	0.2
187.00304	1.2
187.03911	0.5
188.00972	0.5
189.01833	4.4
190.02551	1.3
190.99779	0.6
191.03406	2.6
195.04433	0.2
199.00316	0.8
199.03773	0.3
200.01006	0.7
201.01843	5.1
202.02431	0.6
202.99796	0.3
203.03416	2.8
204.03635	0.2
205.01350	0.6
213.01846	1.1
214.02542	0.3
214.99760	1.9
215.03398	0.2
216.00546	1.2
217.01340	6.4
218.01971	0.7
219.02956	1.6
221.04543	0.4
226.99818	1.7
227.03490	0.5
228.00519	0.7
229.01366	8.5
230.01915	1.0
230.99300	0.3
231.02948	1.9
233.00772	0.5
235.02354	0.3
239.03436	0.3
240.00560	0.3
241.01514	0.3
242.99295	4.5
243.01955	0.3
243.03017	0.4
244.00046	1.8
245.00865	11.9
246.01404	1.1
247.02417	3.9
248.03117	0.6
249.03917	1.6
251.03586	0.2
253.05016	0.2
254.99352	0.7
255.02843	0.5
257.00876	5.5
258.01566	1.3
259.02536	0.3
259.99625	0.3
261.00290	1.5
267.02707	0.3
269.00858	0.3
269.04526	0.3
270.98819	13.3
271.02148	0.4
271.99390	1.6
272.02112	0.2
273.00385	15.5
274.01001	1.8
275.01947	9.6
276.02109	0.5
283.02472	0.3
283.99597	2.9
285.00293	0.6
285.03766	0.3
286.98422	0.4
287.01990	0.3
288.99808	0.5
291.01285	1.0
293.04349	0.2
295.02435	0.2
297.03961	0.2
298.01062	0.3
298.98334	12.9
299.01581	0.5
299.99057	9.4
300.99863	100.0
302.00204	5.1
311.02078	0.3
312.99997	0.3
314.00504	0.3
315.01410	0.8
316.99490	1.6
317.02682	0.4
323.01797	0.3
324.99698	0.2
336.99915	0.2
339.01044	0.3
340.99323	0.3
343.00925	0.9
367.00748	0.3
383.03958	0.2
392.98990	0.3
393.99017	0.4
394.99908	0.2
417.04642	0.4
423.14230	0.2
427.02591	0.2
433.03992	0.4
435.05725	0.3
443.02460	0.7
445.04123	2.0
448.97778	0.4
450.99374	2.0
451.99722	1.2
452.99908	1.0
461.03516	2.4
463.05176	2.2
569.05774	0.4
603.06329	0.3
613.04547	2.6
614.05042	0.4
615.05719	0.6
631.06274	0.9
632.06104	0.3
747.05273	0.3
763.04254	0.5
765.05994	1.1
766.05524	0.2
889.08234	0.3
897.04059	0.6
898.04724	0.3
905.06940	0.4
907.08667	0.9
915.04803	2.3
916.05072	0.6
917.05634	0.3
933.06329	61.6
934.06598	10.2
951.07336	28.8
952.07550	4.9
1085.06348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.084
Annotation	Unknow
Peak:m/z	Relative Intensity
84.09418	0.8
88.11233	0.7
89.03889	0.7
95.01261	1.7
117.03335	2.1
120.13290	0.9
123.00751	4.3
125.02325	2.8
131.01286	1.4
133.02852	1.8
137.02359	0.9
145.02875	5.4
147.04416	2.1
149.02347	1.0
157.02858	1.9
159.00771	1.4
159.04379	1.1
161.02319	4.8
163.00197	1.0
163.03894	3.3
166.99797	1.2
169.01324	2.5
171.00806	1.7
173.02322	6.6
174.02997	0.9
175.03934	2.4
177.01860	3.2
184.01820	0.8
185.02353	3.2
187.00256	5.3
188.01146	1.0
189.01871	7.5
190.02661	1.8
190.96416	1.0
191.03401	4.1
199.00275	1.5
200.01096	1.2
201.01834	6.6
203.03549	3.9
205.01390	1.2
213.01894	1.1
214.99765	5.7
216.00554	2.1
217.01309	7.8
218.01637	0.8
219.02898	2.4
226.99817	2.8
228.00497	0.8
229.01329	10.1
230.01979	1.7
230.99265	0.9
231.02943	3.6
242.99329	8.1
243.99852	1.9
245.00867	13.8
246.01372	1.2
247.02394	7.0
249.03938	2.0
254.99254	0.9
257.00842	5.7
258.01691	1.5
259.99609	2.1
261.00388	3.0
270.98819	21.9
271.99390	3.5
273.00418	19.7
274.00952	2.6
275.01950	11.5
276.02231	1.4
279.77017	0.7
283.99655	2.3
285.00290	1.7
286.98242	1.2
291.01294	1.0
298.98328	23.5
299.01605	0.8
299.99005	13.4
300.99875	100.0
302.00244	6.1
314.97946	1.0
315.01434	1.3
316.99319	2.9
322.01556	0.9
343.00983	2.3
351.01465	1.1
357.67874	1.0
433.03949	0.9
445.04132	2.1
450.99667	4.6
451.99905	4.1
453.00122	3.8
461.03568	1.8
463.05072	1.4
613.04852	2.3
615.05499	1.4
684.05811	1.0
765.05585	1.6
907.07562	1.0
913.03668	2.1
915.04315	1.8
931.04559	2.2
932.04803	1.7
933.06299	39.9
934.06860	4.9
949.06799	1.2
950.06317	2.0
951.07147	19.1
952.07965	2.6
1050.77271	0.9
1064.16455	1.0
1085.06750	4.0
1103.07678	2.4
1108.96179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03833	0.8
93.03337	0.6
95.01253	2.1
96.01572	0.6
98.20475	0.6
101.03814	0.7
107.01231	1.1
109.02850	0.6
109.50151	0.7
115.01771	0.6
117.03341	2.1
119.04918	1.1
121.02781	0.7
123.00758	4.6
125.02326	4.0
129.03351	1.3
131.01234	1.2
133.02872	3.1
135.04408	1.0
139.00227	1.0
145.02861	7.7
147.00743	1.1
147.04422	2.5
149.02327	1.0
151.00246	0.9
157.02815	1.5
159.00752	1.2
159.04390	1.4
160.01659	0.8
161.02361	5.5
163.00256	1.5
163.03876	3.6
165.01892	0.7
166.99715	1.6
169.01364	3.9
171.00763	2.6
172.01474	1.4
173.02353	7.1
175.00284	0.9
175.04060	3.6
176.01003	0.8
176.04372	0.5
177.01840	2.3
178.99799	0.7
179.03453	0.6
185.02336	3.6
187.00272	3.4
189.01869	7.4
190.02525	2.3
190.99937	0.6
191.03424	6.4
198.40392	0.6
199.00243	2.4
200.01070	1.1
201.01836	6.8
202.02254	0.7
203.03450	4.1
205.01338	0.7
213.01837	1.2
214.02574	0.7
214.99849	3.9
216.00537	2.5
217.01355	10.4
218.01775	1.3
219.02943	3.1
226.99854	3.0
228.00514	1.1
229.01381	11.0
230.02017	1.0
230.99355	0.8
231.02937	2.9
233.00830	1.4
242.99272	6.4
244.00063	2.3
245.00873	16.6
246.01251	1.4
247.02457	11.0
248.03032	0.8
249.03935	3.3
251.03482	0.8
254.99391	1.3
255.02956	1.0
257.00879	7.4
257.03400	0.8
257.04718	0.6
258.01578	2.2
259.02499	0.8
261.00363	2.5
263.01886	0.8
267.03015	0.9
269.04459	0.7
270.98846	17.6
271.99384	3.2
273.00385	24.4
274.01105	3.3
275.01965	16.4
276.02246	0.8
283.99655	3.0
285.00360	2.3
286.00827	0.9
288.99893	1.1
290.00647	1.0
291.01443	2.5
298.98337	20.7
299.01776	1.5
299.99075	15.5
300.99881	100.0
302.00180	6.4
312.99805	0.8
313.03467	0.9
315.01572	0.7
316.99255	1.8
323.01706	0.7
343.01077	1.7
351.01581	0.7
445.04007	1.1
450.99387	2.9
451.99652	1.6
453.00098	1.3
461.03516	2.1
463.05048	1.6
603.06445	0.9
605.08948	0.8
613.04626	5.8
615.09552	0.9
631.05719	2.6
632.07019	0.7
655.22449	0.7
765.06403	1.5
822.24567	0.7
889.07990	1.1
905.06879	0.7
907.08771	1.2
913.04089	0.8
915.05707	2.0
931.04425	1.2
932.06281	1.0
933.06390	43.4
934.06146	4.7
950.06604	1.3
951.07330	49.1
952.07532	6.7
964.08905	0.9
1085.06372	4.1
1103.07336	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	1101.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03832	2.6
95.01244	2.3
95.61156	1.4
103.01707	1.6
104.02600	2.0
105.03385	1.4
107.01295	1.5
111.00759	3.7
115.01756	1.4
116.82397	1.3
117.03347	8.0
119.04945	3.4
121.02851	1.7
123.00774	7.1
124.98692	3.1
125.02334	3.7
129.03290	2.0
131.01317	3.2
132.02040	1.5
133.02831	9.5
135.04378	1.8
137.02350	1.8
139.00252	5.8
143.01245	4.6
145.02858	15.3
147.00768	3.7
147.04414	4.2
149.02380	2.3
156.02028	1.3
157.02820	3.9
159.00772	4.4
159.04411	1.3
160.01511	3.6
161.02357	18.3
162.03110	1.5
163.00270	4.2
163.03923	9.5
164.01007	1.3
164.98164	1.9
166.99765	3.0
169.01326	3.4
171.00818	7.5
172.01563	2.1
173.02353	18.1
174.03035	2.0
175.00308	2.3
175.03954	5.4
176.01030	1.6
177.01862	7.8
183.04416	1.4
185.02390	8.4
187.00330	14.6
187.03929	3.0
188.01064	4.2
189.01871	18.9
190.02638	4.8
190.99789	1.7
191.03444	11.9
195.04465	3.0
197.06056	2.0
199.00294	5.5
199.03883	1.7
200.01019	5.3
201.01837	17.9
202.02658	1.4
202.99796	3.6
203.03433	5.0
205.01338	3.3
207.04498	2.1
209.05835	1.2
211.03978	4.4
213.01878	12.5
213.55489	1.3
214.02583	1.8
214.99809	13.7
215.03320	3.4
216.00562	6.3
217.01349	28.9
218.02078	2.2
218.99396	1.4
219.02856	4.0
223.03963	3.6
226.99744	8.3
227.03467	2.1
228.00607	4.8
229.01385	26.1
230.02170	3.0
230.99315	3.0
231.02972	7.9
233.00845	4.1
235.04134	2.7
237.01933	1.7
238.02768	1.6
239.03537	4.3
241.01361	3.3
241.05031	1.8
242.02156	1.6
242.99327	23.4
243.02992	1.8
244.00011	6.2
244.98489	2.7
245.00871	41.1
246.01448	2.4
247.02402	22.2
249.01910	1.8
251.03439	6.2
253.01233	1.5
253.04930	2.3
254.99265	4.5
255.02817	2.6
257.00830	13.5
257.99008	1.6
258.01639	5.1
259.02454	16.5
259.99524	2.0
261.00296	9.2
265.01520	2.7
266.02142	3.4
267.02948	6.1
269.00891	2.7
269.04462	1.6
270.98840	59.7
271.99429	6.1
273.00378	52.4
273.03369	2.6
274.00977	5.4
275.01898	13.3
279.03101	6.9
281.00906	2.1
281.04446	3.3
282.01538	1.7
282.98831	7.4
283.02411	4.2
283.99707	9.9
285.00415	30.9
286.00864	1.6
286.98413	3.7
288.99774	1.7
291.01520	4.8
293.00952	3.7
294.01553	1.7
295.02423	9.5
296.03311	2.3
297.04041	5.0
298.98325	61.2
299.01764	3.1
299.99106	33.1
300.99878	95.1
302.00217	4.4
305.00882	3.7
306.01648	2.5
307.02383	8.7
309.00378	3.3
309.04025	2.6
310.98428	3.0
311.01962	5.3
312.99966	3.4
313.03470	1.6
314.00571	1.6
315.01581	2.8
316.99207	6.3
321.00629	6.8
321.03784	1.8
322.01196	3.6
323.01883	12.5
325.03513	5.4
328.99377	1.8
333.00354	1.8
335.01886	8.9
336.99884	3.4
337.03445	1.8
339.01379	6.3
340.99313	2.8
348.99857	4.5
351.01419	13.7
353.03143	2.8
360.99759	1.8
363.01492	4.4
364.98837	1.8
365.03088	2.3
366.00003	2.2
367.00763	6.3
376.99500	3.5
379.00894	7.5
381.02423	4.4
395.00415	1.5
397.02234	1.4
401.05310	1.5
404.98465	6.5
407.00320	14.1
409.01877	2.0
422.99945	4.5
425.01523	9.1
432.98334	2.9
434.99796	3.0
443.02548	2.7
448.97736	1.9
450.99408	78.6
451.99799	4.3
461.03580	3.6
471.00989	1.5
595.04260	3.3
613.04791	9.6
614.05505	1.7
657.38617	1.5
765.05951	3.8
885.04956	2.1
887.05267	1.6
895.02399	4.1
897.04773	7.5
903.02374	2.0
913.03577	12.5
915.05298	11.6
931.04181	9.4
932.05420	2.1
949.05792	1.7
1047.03857	1.6
1055.06262	3.3
1057.07935	4.1
1065.04602	11.9
1083.05835	100.0
1084.06299	18.5
1101.06836	50.9
1102.07361	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	1101.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03850	1.2
91.01760	0.9
93.03328	1.0
95.01243	5.6
97.55544	0.6
99.02273	0.9
101.03811	0.8
103.01765	1.1
105.03347	1.6
107.01254	1.0
107.04913	0.7
109.02870	1.0
111.00751	3.8
112.93573	0.8
113.38125	0.7
115.01761	1.9
115.05428	0.7
117.03349	5.7
119.04894	2.5
121.02847	1.9
123.00771	8.9
125.02324	6.9
129.03333	1.4
131.01282	3.4
132.02032	1.4
133.02870	5.7
135.04419	1.6
136.98650	0.8
137.02376	0.9
139.00272	4.6
141.01851	1.1
143.01289	2.9
145.02850	13.5
146.03505	0.8
147.00758	2.9
147.04411	4.7
148.01585	0.9
149.02356	2.4
151.00270	1.3
157.02907	3.6
158.03607	1.1
159.00797	3.5
159.04407	1.6
160.01561	1.9
161.02336	13.0
162.03003	1.1
163.00262	4.3
163.03915	6.1
164.00954	0.8
164.98219	5.0
165.01797	1.4
166.99765	5.9
167.04881	0.9
169.01337	5.2
169.02759	1.7
169.06499	0.9
171.00752	4.5
172.01523	2.3
173.02356	12.1
174.03093	1.5
175.00334	1.6
175.03952	4.6
176.00969	1.1
177.01866	5.4
178.99779	1.5
179.03371	1.8
181.01320	1.2
183.04433	1.7
185.02362	5.4
187.00287	11.5
187.03928	2.0
188.01074	2.6
189.01854	17.7
190.02640	4.0
190.99783	1.4
191.03416	11.8
192.00600	1.1
193.01299	1.2
195.04427	1.7
197.02307	1.3
197.05913	1.5
199.00302	4.5
199.03906	1.3
200.01071	4.2
201.01855	11.1
202.02440	1.7
202.99730	1.9
203.03462	5.2
205.01364	2.5
207.04532	1.1
211.00346	0.8
211.03937	3.1
212.04643	1.0
213.01849	6.2
213.05405	1.5
214.02716	2.0
214.99821	12.0
215.03386	3.1
216.00626	4.8
217.01355	21.0
218.01976	1.3
219.02930	3.0
223.03923	2.7
225.05464	1.3
226.02597	1.2
226.99805	7.6
227.03485	2.2
228.00557	3.0
229.01378	18.4
230.02055	2.3
230.99249	2.3
231.02913	5.4
232.00079	1.5
233.00864	2.8
235.02029	1.1
235.04208	1.4
237.01949	1.2
237.05295	0.9
239.03459	3.5
241.01442	2.1
241.04967	1.2
242.02153	1.1
242.99307	13.3
243.02959	1.6
244.00064	4.4
245.00854	24.9
246.01300	1.9
247.02438	13.6
249.01805	0.9
249.04001	1.2
250.02615	1.2
251.03432	4.1
253.01515	2.0
253.05003	2.6
254.99277	6.9
255.01830	0.8
255.03055	1.2
256.00153	1.0
257.00897	10.0
257.03778	0.9
257.04321	0.6
258.01633	2.4
258.98822	1.6
259.02487	6.7
259.99579	2.3
261.00360	9.3
263.03625	1.4
264.03970	0.8
265.01379	1.7
265.05121	1.3
266.02118	2.0
267.02847	4.1
269.00806	2.1
269.04272	0.9
270.01669	0.9
270.98825	34.0
271.99487	4.4
273.00378	27.3
274.00998	2.7
275.01904	9.6
277.01538	1.3
278.02295	1.2
279.02939	4.4
280.03622	1.4
281.01001	1.4
281.04404	1.7
282.98840	8.3
283.02411	1.8
283.99576	11.3
285.00391	33.6
286.00980	1.1
286.98502	3.6
287.01379	1.0
288.99924	2.4
291.01413	2.1
293.00961	3.3
295.02356	7.0
296.03119	2.1
297.00568	1.7
297.04010	4.3
298.98337	32.7
299.01724	1.8
299.99057	20.3
300.02298	0.5
300.99875	55.9
302.00314	2.7
305.00839	1.5
306.01758	1.3
307.02408	6.5
308.02979	0.8
309.00342	2.3
309.03815	1.5
310.98315	6.5
311.02029	3.7
312.99860	2.6
314.97867	1.0
315.01440	1.6
316.99408	2.3
319.02380	0.9
321.00400	3.2
322.00989	2.1
323.01941	12.8
324.02487	1.7
325.00061	1.6
325.03458	5.9
327.01532	1.2
333.00311	1.3
334.01294	1.1
335.01886	6.7
336.99869	2.3
337.03500	1.4
339.01431	6.6
339.05087	1.1
340.02200	1.0
341.03012	1.5
343.00909	1.6
348.99945	5.9
350.00290	1.6
351.01410	14.6
352.02087	0.8
353.02771	1.4
363.01437	3.5
364.99225	1.8
366.00070	1.3
367.00797	3.1
369.02283	1.1
376.99326	3.8
379.00827	9.0
381.02493	3.2
392.98730	1.5
395.00446	2.0
397.01559	1.2
399.03607	1.3
404.98734	4.4
405.99765	0.9
407.00516	7.6
409.01944	1.7
423.00070	2.2
425.01382	6.7
432.98535	3.9
433.03485	0.9
435.00021	3.6
435.05380	0.8
438.99200	0.8
445.04166	1.9
450.99393	100.0
451.99762	7.3
461.03427	1.2
556.48267	0.9
595.04095	1.5
613.04871	3.3
763.04462	0.9
887.06335	0.9
897.04633	1.0
903.04871	1.2
905.05963	0.9
913.03650	5.4
914.03424	1.7
915.05353	2.8
931.04980	7.0
932.04523	1.6
949.05902	4.0
1055.07349	1.1
1057.08081	4.7
1065.04919	1.9
1083.05798	66.4
1084.06323	14.7
1101.06934	94.7
1102.07263	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6785
Annotation	Unknow
Peak:m/z	Relative Intensity
76.55236	0.1
78.95779	5.7
78.98440	0.2
79.95609	0.3
80.96389	1.1
89.21895	0.1
94.97946	0.2
96.95895	0.2
104.14938	0.1
106.32391	0.1
125.02344	0.5
137.64536	0.1
139.70024	0.1
152.99507	1.2
164.98573	0.3
168.04225	1.6
169.01329	0.3
174.76617	0.1
174.95395	0.1
222.20537	0.1
224.06879	1.1
225.00673	0.4
242.07922	2.1
242.77118	0.1
261.22256	0.5
276.15933	0.2
279.23282	100.0
280.23608	5.3
300.99725	0.2
504.30978	76.5
505.31293	5.7
505.38892	0.2
517.71478	0.2
519.27429	0.8
577.26813	2.6
578.26929	1.6
578.34705	2.9
579.27301	0.3
579.35187	0.2
758.82477	0.2
800.56818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6468
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	7.3
96.96868	0.2
122.98470	0.1
123.00767	0.2
125.02341	0.2
131.81998	0.1
132.09465	0.1
152.99503	1.7
168.04202	1.3
169.01347	0.3
169.40570	0.2
180.23737	0.2
224.06876	1.2
233.22664	0.4
242.07947	3.6
259.20685	0.6
275.20114	0.6
277.21707	100.0
278.22040	4.7
300.99896	0.3
471.82202	0.2
502.29395	97.3
503.29703	5.6
517.25659	0.6
576.33044	3.6
577.33270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98018	0.2
76.62482	0.2
83.01255	2.5
93.03311	1.1
95.01269	0.4
95.03689	0.2
98.98983	0.5
107.00531	0.5
107.01266	9.4
108.01553	0.2
109.02841	1.1
121.02840	6.7
122.03159	0.3
122.47433	0.2
123.00777	0.8
124.01561	0.3
125.02342	1.5
126.98523	0.4
133.87778	0.2
137.02272	0.2
139.03920	0.4
142.20236	0.2
145.02814	0.3
147.04405	0.2
148.01553	0.3
149.02319	1.1
151.00272	32.6
152.00626	0.9
159.04434	0.4
161.02341	0.6
163.00307	1.0
163.03931	0.4
164.01042	0.6
165.01825	0.2
167.96629	0.2
169.01331	5.0
173.02336	0.5
175.00298	0.2
175.03949	0.2
178.99777	16.0
179.22495	0.2
180.00043	0.2
180.92583	0.2
182.97560	0.3
184.23975	0.2
187.03952	0.6
189.01842	0.4
190.98358	0.2
191.03563	0.2
192.00710	0.2
193.01341	0.6
201.01973	0.3
201.05501	0.4
203.03500	0.5
205.05016	0.3
211.03961	0.5
214.99922	0.3
217.01279	0.3
217.04840	0.2
227.03386	0.5
229.01457	0.2
229.05019	1.1
231.02888	0.2
243.02849	0.3
245.00909	1.1
245.04480	1.2
247.02209	0.2
252.00870	0.2
255.03049	1.0
256.03656	0.2
257.04495	0.6
258.01660	0.2
270.99030	0.4
271.02435	1.1
271.99326	0.2
272.02969	0.3
273.00363	1.2
273.04016	1.9
275.01907	0.5
291.01266	0.3
298.98477	0.4
299.02090	0.6
299.99042	0.5
300.02728	1.2
301.03506	100.0
302.00449	0.4
302.03842	4.8
313.05652	6.3
314.06049	0.3
316.02258	0.4
463.08716	0.7
615.09869	19.9
616.10370	2.0
957.87024	0.2
967.05371	0.3
997.05383	0.3
999.08722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
84.22358	0.4
86.06858	0.4
86.98981	1.4
87.23043	0.4
95.01245	2.7
98.98981	25.1
107.04868	0.5
110.10772	0.5
112.93615	1.5
115.01790	0.6
117.03353	2.5
119.01274	0.5
119.04928	0.5
123.00765	7.6
125.02354	1.6
126.98482	15.2
127.98882	0.5
129.03383	0.7
131.01309	0.9
132.02025	0.6
133.02876	3.0
135.04320	0.7
137.02298	0.6
139.00307	0.5
143.01312	0.7
145.02863	6.9
146.03107	0.5
147.00789	1.1
147.04414	1.5
149.02267	0.8
151.00279	1.9
152.96419	0.6
154.98000	6.9
156.99539	0.9
157.02827	1.5
159.00775	1.2
159.04404	0.6
160.01555	1.2
161.02336	5.5
163.00235	0.8
163.03944	2.8
166.99789	3.2
169.01341	1.5
170.97511	0.6
171.00777	1.7
172.01656	0.5
173.02365	6.4
174.02948	0.6
175.03900	1.3
176.01035	0.6
177.01817	1.6
178.99782	1.2
182.97488	15.7
185.02391	3.5
187.00316	4.7
187.03972	0.5
188.00996	0.8
189.01843	7.4
190.02576	2.4
191.03479	2.5
192.99565	0.6
193.01276	0.5
197.02312	0.5
198.96986	23.4
199.00262	1.3
199.04050	0.6
199.97470	0.9
200.01030	1.2
200.98563	11.6
201.01790	6.5
202.97989	0.7
202.99791	0.5
203.03403	2.5
205.01366	0.7
213.01891	0.9
214.99823	6.5
215.03310	0.5
216.00539	2.7
217.01349	10.8
218.01958	0.7
218.97482	1.1
219.02951	1.0
220.99084	0.5
226.99817	2.2
228.00571	1.8
229.01379	9.3
230.02032	0.9
230.99318	0.6
231.02826	2.1
233.00970	1.1
242.99297	10.3
243.03012	0.7
244.00056	2.4
245.00874	16.9
246.01405	1.4
246.96983	1.0
247.02428	3.3
249.03973	2.2
254.99251	0.6
257.00876	6.7
258.01544	1.5
259.99603	1.0
261.00500	2.8
270.98837	34.8
271.99261	3.1
273.00400	19.9
274.00949	2.6
274.96866	2.2
275.01901	9.7
277.03802	0.5
279.02808	0.6
283.99515	2.7
286.98358	1.3
288.99738	0.5
291.01447	1.7
298.94806	0.9
298.98322	37.5
299.99060	14.2
300.99881	100.0
302.00244	5.2
302.96024	6.2
303.01358	0.7
303.96420	0.5
304.97525	1.2
305.02948	0.7
306.99026	0.6
313.00003	0.5
315.01440	0.8
316.99237	1.6
317.03079	3.3
330.95526	7.1
330.99991	0.6
331.00891	0.5
331.96143	0.8
332.97052	3.9
333.97592	0.5
349.02100	0.8
443.03238	0.6
461.03641	0.8
463.05090	0.7
479.04337	0.9
601.03363	0.6
619.04523	0.6
631.09283	1.0
645.01770	2.0
663.02850	1.1
763.04047	2.6
765.05579	0.8
781.05212	0.8
913.03882	2.1
931.04968	4.4
932.05756	1.0
935.04340	1.1
945.03967	1.1
947.02429	1.3
957.00897	0.5
963.04852	3.8
965.03522	39.9
966.03998	6.7
977.03186	1.2
995.04572	26.3
996.04742	4.9
997.06232	15.7
998.06763	2.8
1077.02136	5.2
1078.01245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
86.98973	1.1
95.01252	2.6
98.20597	0.6
98.98976	26.6
99.99287	0.4
111.00735	0.4
112.93621	1.8
117.03317	2.3
119.04896	1.0
121.05061	0.3
123.00769	8.4
125.02338	1.6
126.98482	14.8
127.98859	0.5
129.03319	0.8
131.01266	0.6
131.04826	0.4
132.02034	0.7
133.02864	2.1
135.04443	0.6
139.00273	0.6
141.01859	0.6
141.03331	0.4
141.97153	0.3
143.01271	0.9
145.01691	0.4
145.02840	6.6
147.00752	1.5
147.04393	1.6
148.01566	0.6
149.02272	0.7
151.00290	0.7
154.97981	6.7
156.99542	0.9
157.02826	1.5
159.00793	1.6
159.04410	1.0
160.01511	1.3
161.02348	5.1
163.00233	0.8
163.03940	2.4
166.99771	2.9
169.01376	1.7
169.02602	0.4
170.97525	0.7
171.00751	1.6
171.04532	0.5
172.01546	0.4
173.02315	6.0
174.02792	0.5
174.98596	0.4
175.00291	1.0
175.03932	2.1
176.01016	0.9
177.01849	1.8
178.99738	1.3
179.03387	0.7
182.97493	17.1
183.97751	0.7
185.02333	3.7
187.00267	4.0
187.03900	0.6
188.00995	0.8
189.01863	7.2
190.02628	3.5
190.99744	1.0
191.03394	2.5
198.96985	22.5
199.00253	1.7
199.97617	1.2
200.01038	1.1
200.98569	15.7
201.01767	7.0
202.98026	0.4
202.99760	0.6
203.03412	2.5
204.00514	0.5
205.01369	0.8
207.02907	0.5
211.03951	0.6
213.01865	1.3
214.02745	0.5
214.99825	5.4
215.03387	0.7
216.00549	2.6
217.01347	9.8
218.02007	1.3
218.97507	0.9
219.02899	1.4
220.98964	0.7
226.99741	1.8
227.03441	0.7
228.00578	1.5
229.01360	10.8
230.01924	0.7
230.97391	0.7
230.99399	0.7
231.02933	2.5
232.00125	0.5
233.00926	0.9
239.03477	0.6
242.99306	9.3
243.03061	1.1
244.00043	2.8
245.00870	14.1
246.01451	1.5
246.96971	0.8
247.02458	4.2
247.97913	0.6
248.03094	0.6
248.98524	0.6
249.04027	2.7
254.99312	1.6
255.03011	0.5
257.00870	6.2
258.01584	1.0
258.99130	0.5
259.02383	0.7
259.99680	0.9
261.00400	2.3
261.03946	0.4
267.03061	0.5
270.98810	30.3
271.99399	3.3
273.00394	17.1
274.00946	1.8
274.96640	1.6
275.01947	10.8
276.02560	0.6
276.98135	0.5
277.03537	0.8
283.02777	0.6
283.99692	3.2
286.98340	1.5
287.01898	1.1
289.00067	0.7
291.01398	1.4
298.98306	34.5
299.99026	12.0
300.99872	100.0
302.00180	5.8
302.96027	5.5
303.01392	1.6
303.96683	0.6
304.97565	1.5
305.02902	2.0
312.99850	0.6
315.01334	0.9
316.99304	1.9
321.02783	0.6
327.01523	0.5
330.95505	7.6
331.01001	2.0
331.96240	1.3
332.97055	4.0
340.99338	0.7
343.00665	0.6
349.02005	4.5
362.98184	3.2
417.04239	0.7
433.03909	0.4
445.04193	0.9
461.03680	1.1
463.05289	1.2
477.01675	0.4
479.04755	0.9
493.06067	0.6
601.02728	0.7
645.01965	2.8
663.02380	1.8
681.13385	0.4
745.02466	0.5
763.04327	2.8
764.04578	0.5
765.05756	0.6
781.05505	1.0
795.07050	2.7
827.04407	1.0
907.00049	1.2
913.03442	1.8
914.06702	0.4
931.04529	3.9
932.04291	0.7
935.03094	1.4
945.03320	1.3
947.02441	1.9
948.03595	0.5
963.03430	3.7
964.04504	0.6
965.03552	46.6
966.03662	7.6
967.07880	0.5
977.03906	1.3
995.04565	29.9
996.04950	4.8
997.06030	18.7
998.05865	3.2
1044.99902	0.8
1077.01770	6.6
1078.01831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
74.24404	0.4
83.01254	2.5
83.35604	0.3
84.25981	0.3
85.72983	0.4
107.01267	8.6
109.02834	7.5
109.21067	0.4
116.83668	0.4
121.81713	0.3
123.00758	0.8
125.02322	1.9
133.02872	0.8
137.02341	15.6
151.00275	28.4
152.00681	0.5
163.00291	1.2
164.01050	0.5
165.01842	1.5
169.01323	4.0
175.03868	0.4
178.99786	21.3
190.99739	0.5
191.03365	0.5
192.00627	2.1
193.01329	1.4
199.04131	0.5
203.03409	0.5
224.24895	0.4
227.03424	1.0
243.03014	0.9
245.04683	0.5
255.03027	0.8
261.04129	0.5
270.01730	0.6
270.65402	0.4
271.02368	3.1
284.03369	0.5
287.01962	1.1
289.03830	0.6
297.04266	0.6
299.01944	0.5
299.05496	0.7
309.04044	3.2
310.23026	0.4
316.02206	3.2
317.03003	100.0
318.03369	4.1
327.05093	3.3
357.06223	1.5
429.08221	0.8
447.09250	0.4
459.11276	1.1
489.10248	0.8
557.43182	0.5
577.51550	0.4
609.14496	7.8
625.14075	2.7
640.39618	0.4
777.15198	43.0
778.15393	3.5
902.74695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
77.96366	0.5
80.58381	0.5
86.98952	1.7
89.03883	0.6
89.11533	0.5
95.01246	3.2
98.98977	40.6
101.03851	0.8
112.93594	1.8
115.01808	0.6
117.03349	2.4
118.26910	0.5
119.04897	1.2
121.02789	0.7
123.00768	10.3
125.02372	1.2
126.98486	23.2
129.03299	0.6
131.01242	1.4
133.02811	2.4
135.04375	0.8
141.01801	0.6
141.97183	0.6
143.01299	1.1
145.02846	6.4
147.00755	1.4
147.04399	2.4
149.00815	0.6
149.02348	0.8
154.97980	9.4
156.99574	0.7
157.02855	1.3
159.00835	1.4
159.04465	0.7
160.01566	0.9
161.02342	6.6
163.00336	1.3
163.03880	3.1
166.99762	2.8
169.01341	0.8
171.00777	2.3
172.01547	1.0
173.02332	7.8
174.02913	0.7
175.03949	2.2
176.01157	0.6
177.01862	2.7
179.03513	0.7
182.97504	12.9
185.02383	5.4
187.00278	4.9
188.01057	0.9
188.54935	0.6
189.01862	7.9
190.02560	1.1
191.03455	3.7
192.99745	0.7
198.97008	23.6
199.00266	1.9
199.97595	1.2
200.00960	1.3
200.98569	10.8
201.01768	6.9
202.98067	0.8
202.99747	0.9
203.03413	3.2
203.46568	0.6
205.01312	1.1
213.01869	1.3
214.99838	7.7
216.00525	3.8
216.24400	0.6
217.01358	9.6
218.02066	1.0
218.97443	0.8
219.02881	2.3
226.99739	1.9
228.00597	1.4
229.01350	11.2
230.02054	0.6
230.99321	1.0
231.02931	3.0
233.00858	1.0
235.02322	0.7
241.01340	0.8
242.02046	0.7
242.99300	15.1
243.99953	2.4
245.00871	17.3
246.01501	1.0
246.96951	1.0
247.02435	6.5
249.04024	2.4
254.99254	0.7
257.00870	7.5
258.01508	1.0
259.99619	1.0
261.00586	2.6
270.98828	47.6
271.99265	3.7
272.97522	1.3
273.00397	21.1
273.03378	1.3
274.01001	2.6
274.96564	2.0
275.01953	10.1
276.98108	0.7
283.99628	4.4
286.98508	1.4
287.01675	0.7
291.01611	1.2
298.98315	47.0
299.99039	15.4
300.99881	100.0
302.00201	5.8
302.96072	4.2
304.97406	1.0
312.99936	0.8
316.99329	1.4
330.95529	6.4
331.96121	1.1
332.97098	6.7
343.00989	0.6
355.25027	0.6
461.02911	0.7
463.04721	0.7
645.02258	1.6
663.03387	1.0
763.03955	3.4
765.06610	0.8
931.05304	2.0
935.01758	0.7
947.02979	2.3
963.01965	4.3
964.03351	0.6
965.03601	37.9
966.03522	6.6
981.02966	16.9
982.03137	2.7
983.04266	3.4
1063.00244	7.0
1064.01221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	18.3
60.81223	3.8
64.01803	5.3
65.01315	18.0
65.99724	6.3
70.28677	12.0
72.99178	75.9
75.00750	38.0
87.92397	49.1
104.92760	5.3
105.01820	100.0
105.04462	9.9
105.93478	11.2
106.03989	73.8
119.91426	5.2
121.52976	4.7
123.94536	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95606	7.4
80.11940	0.9
96.95885	77.5
123.00759	1.8
123.28009	1.0
125.02328	2.7
133.02841	1.3
145.02859	3.9
147.04413	1.0
161.02362	3.0
163.00302	1.0
163.03917	1.5
166.99747	1.2
169.01393	2.0
173.02353	3.4
175.03932	1.2
175.28967	1.0
177.01866	2.4
185.02412	2.4
187.00284	1.5
189.01826	5.7
191.03415	2.4
199.00203	0.9
201.01846	5.1
203.03342	2.0
205.01390	1.1
213.01793	1.1
214.99730	1.8
216.00603	1.0
217.01341	6.7
226.99748	1.5
229.01326	6.3
229.36861	1.0
231.02620	1.1
233.00847	1.1
242.99333	4.0
244.00111	1.1
245.00888	12.8
247.02463	3.8
249.03908	1.1
257.00937	4.0
257.15027	0.9
259.02600	1.2
261.00436	1.5
270.98846	13.6
273.00415	14.1
274.01105	1.3
275.01871	9.3
283.99533	3.0
298.98337	15.8
299.99075	7.9
300.99881	100.0
302.00348	4.8
315.01550	1.4
316.99356	2.6
445.04126	1.5
461.03528	2.6
463.05331	1.9
613.04565	2.5
765.05762	1.3
839.58887	1.2
915.05951	2.1
933.06403	44.6
934.05963	6.0
951.07361	17.9
952.07843	2.9
967.99951	1.1
1018.49609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99165	3.9
73.02820	0.8
83.01248	2.0
85.02817	10.5
87.00755	5.0
89.02313	100.0
90.02634	0.9
95.01261	6.2
96.95886	0.5
97.02838	0.5
98.19797	0.9
101.02320	41.1
108.02052	1.0
109.02879	0.5
113.02326	33.2
114.02606	0.7
114.54800	0.4
119.03385	40.1
120.03718	0.5
123.00761	0.7
123.10372	0.4
125.02326	2.5
125.27127	0.5
131.03391	5.9
133.01198	0.5
133.02814	0.5
135.04340	0.6
139.00241	0.8
143.02350	0.9
143.03400	12.6
145.02827	2.1
149.04439	4.8
152.01009	1.5
153.01746	0.6
161.02347	1.1
161.04465	13.7
166.99727	1.1
169.01363	2.1
173.02412	0.5
175.37154	0.5
179.05527	48.0
180.05844	1.5
180.07896	0.6
189.01921	0.8
190.02489	0.5
191.03465	0.7
201.01880	0.6
205.04951	0.7
216.00613	0.6
217.01311	1.3
218.01953	0.6
223.09753	2.1
224.04736	1.7
229.01392	0.8
231.02872	0.5
238.06285	1.4
239.10748	1.1
241.08650	1.0
245.00826	2.1
247.02469	1.4
251.07178	0.7
252.07909	0.6
255.10281	4.8
265.08612	0.6
266.05859	1.8
267.10309	0.8
269.11850	1.8
270.12579	1.8
270.98843	1.5
273.00394	2.7
275.01984	1.0
283.09726	23.8
284.10022	1.5
285.03946	0.6
294.08926	1.1
295.09625	2.8
296.10373	2.2
297.11285	1.2
298.12003	3.3
298.98297	1.8
299.98978	1.4
300.99841	5.4
301.03516	1.3
302.00140	1.1
309.11356	1.1
310.08710	0.9
310.12091	2.1
311.09232	57.3
312.09653	3.8
315.01309	0.7
315.07022	0.5
316.99341	0.9
317.02768	0.7
325.10776	8.7
326.11569	41.7
327.11896	2.5
327.31186	0.5
341.13910	61.0
342.14206	4.0
347.00281	0.5
359.14923	0.9
491.04822	0.5
521.13104	3.7
521.19983	2.6
521.26733	0.6
913.07416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56874	0.5
72.00790	0.5
74.01967	0.8
74.02345	9.0
77.85432	0.5
81.04442	0.6
82.02860	1.5
82.35111	0.4
84.04417	1.0
86.02345	3.8
86.05987	0.9
86.98963	0.6
87.05516	2.1
88.03958	0.5
90.00062	0.6
96.95150	0.4
96.95879	1.0
97.03960	1.5
99.05515	7.0
101.07098	1.1
102.05467	0.9
107.06074	0.6
109.03968	1.6
111.05510	0.5
112.03895	1.1
116.01645	0.6
120.01122	0.5
123.05514	0.7
125.02376	0.5
125.03474	1.0
126.01831	0.5
127.05050	1.5
128.03430	23.4
129.99547	0.9
135.05550	2.3
141.06590	2.0
143.04526	31.2
144.04851	0.6
145.06107	1.6
146.04433	2.7
153.06561	2.5
155.08197	0.5
160.00638	9.6
166.09746	1.6
167.04553	1.5
167.08145	1.4
169.01390	0.7
170.03316	0.5
171.04054	0.5
171.07649	0.5
177.03288	3.1
179.04553	7.8
185.05518	0.8
192.07686	1.1
197.05640	0.9
209.11763	0.7
210.08754	6.4
242.07872	0.8
254.07806	7.8
272.08881	15.6
277.21689	0.8
288.06616	5.5
300.99741	1.1
306.07651	100.0
307.07932	3.8
351.85138	0.5
371.37436	0.4
441.05063	0.4
839.32062	0.5
854.41296	0.6
1030.51404	3.7
1031.50317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43793	0.7
72.00787	0.7
74.02340	9.6
81.04460	1.2
82.02868	0.8
86.02348	3.0
86.05978	0.5
86.98960	1.2
87.05514	2.0
90.00046	0.9
96.95890	1.0
97.03973	1.2
99.05521	8.3
101.00642	0.4
101.07063	1.3
102.05458	1.2
109.03951	1.7
111.05529	0.7
112.03907	0.8
116.01624	0.9
120.01202	0.4
123.05512	0.9
124.03979	0.6
125.02386	0.5
125.03469	1.4
127.05022	1.6
128.03430	23.0
135.05565	3.1
137.07076	0.8
141.06593	1.9
141.98752	0.4
143.04523	30.5
145.06071	1.8
146.04462	2.9
153.06586	2.5
160.00647	8.5
166.09767	1.5
167.04507	2.7
167.08160	1.5
169.01317	0.7
171.04033	0.5
171.07675	0.4
177.03255	3.6
179.04547	6.7
181.06075	0.8
185.05647	1.1
192.07724	1.1
198.08847	0.7
209.11781	1.9
210.08791	6.6
220.86456	0.4
242.07813	1.1
254.07776	8.5
272.08859	14.5
288.06625	6.2
300.99747	0.5
304.06082	0.5
306.07645	100.0
307.07867	3.4
324.84909	0.5
365.66592	0.5
1030.51501	4.5
1031.52136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27873	0.3
73.50357	0.2
83.01260	2.6
93.03307	1.0
107.01266	8.6
109.02808	0.9
121.02836	7.1
123.00735	0.4
125.02332	1.3
137.11415	0.2
139.03912	0.5
147.04478	0.2
148.01445	0.2
149.02313	1.1
150.72366	0.2
151.00269	32.1
152.00595	0.6
159.04436	0.3
161.02345	0.5
163.00235	1.0
163.03900	0.3
164.01003	0.4
165.01794	0.2
169.01341	3.5
175.03964	0.3
178.99776	15.8
180.00047	0.5
183.04353	0.2
184.57001	0.2
185.06032	0.2
187.03941	0.3
192.00516	0.3
193.01323	0.8
201.05498	0.4
203.03357	0.3
211.03951	0.6
213.05615	0.2
213.13914	0.2
215.03323	0.2
218.20610	0.2
227.03543	0.6
228.04079	0.2
229.05014	1.0
243.03076	0.3
245.04381	0.8
255.02960	0.8
257.04492	0.3
271.02466	0.4
273.01172	0.3
273.03989	2.0
283.02435	0.2
299.02032	0.2
299.99594	0.2
300.02820	0.7
301.03506	100.0
302.03860	4.5
313.05637	5.8
316.36838	0.2
316.47095	0.2
615.09857	25.7
616.10278	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	1015.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.6
71.43631	0.3
71.43977	0.3
73.02820	0.2
74.02359	0.5
74.98970	18.5
79.95607	39.0
80.96389	9.4
85.02808	0.4
86.98993	0.4
87.00748	0.4
87.05524	0.3
87.99751	0.7
89.02310	1.3
94.92386	0.2
95.01306	0.2
96.95893	4.2
97.06462	0.4
99.00747	0.3
99.05537	0.3
101.02325	1.3
109.06464	0.3
111.92846	0.3
112.93615	10.8
113.02322	0.7
123.00697	0.2
124.95430	0.3
125.02331	0.5
128.03426	1.1
128.04285	0.2
128.93120	1.7
138.95193	100.0
139.95413	0.5
141.01826	0.4
143.03545	0.3
143.04500	1.5
146.04567	0.3
148.41277	0.2
161.09665	0.4
166.99812	0.2
169.01329	0.2
179.05629	0.4
184.95793	0.3
195.10201	0.2
197.11734	1.1
199.13351	0.3
207.10205	0.8
221.06610	0.5
225.11356	0.6
229.08990	1.8
231.10596	1.8
235.08134	0.2
254.07825	0.5
272.08975	0.6
277.21732	3.7
278.22220	0.3
288.06631	0.2
306.07648	3.5
307.07965	0.7
397.13449	1.6
415.14441	0.5
611.34747	0.2
626.32147	0.2
727.40967	0.3
883.48376	0.4
887.44598	3.7
888.46112	0.6
901.48846	0.7
913.38971	0.4
915.44202	6.2
916.44879	0.8
969.42249	2.2
997.44238	0.3
1015.43353	3.4
1016.43890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76741	5.3
69.77168	1.8
94.02837	1.1
95.01263	2.1
105.03329	1.3
109.02895	1.3
115.51754	1.2
117.03339	3.7
123.00734	2.6
125.02327	3.2
131.01273	2.2
132.02019	2.8
133.02843	3.7
137.02312	1.6
145.02855	11.6
146.02350	1.5
146.03592	1.4
147.00714	2.4
147.04393	2.0
148.00349	1.4
149.02426	2.4
151.00250	1.6
157.02821	2.2
159.00810	2.2
159.04356	1.7
160.01570	3.0
161.02405	9.5
162.03136	2.2
163.00298	4.4
163.03871	4.5
165.01962	2.2
169.01346	1.7
169.02824	1.3
171.00772	2.1
172.01541	2.1
173.02303	7.6
175.00269	1.8
175.03941	3.5
177.01790	6.0
178.99724	1.5
185.02319	4.3
187.00252	6.6
187.03970	1.8
188.01022	2.7
189.01857	10.5
190.01128	1.3
190.02791	5.6
190.99747	1.9
191.03389	6.0
193.01389	2.1
194.02335	1.3
199.00281	2.8
200.01018	2.2
201.01822	10.0
203.03416	5.1
205.01321	3.1
206.01076	1.3
208.02422	2.9
213.01933	1.9
214.99789	7.9
215.03351	1.8
216.00560	6.1
217.01361	16.5
218.01962	3.4
219.02917	4.0
226.99817	2.0
227.03439	1.7
228.00594	2.1
229.01332	12.8
230.01831	1.8
230.99329	2.8
231.02936	4.7
233.00832	2.7
235.02298	1.3
241.01315	2.3
242.99358	7.6
243.03029	3.0
244.00066	5.3
245.00854	20.3
246.01501	3.3
247.02411	13.0
248.03101	2.6
249.04037	6.0
257.00793	7.7
258.01514	2.1
258.98807	1.8
259.02481	3.5
259.99594	4.0
261.00266	4.4
263.01917	1.7
268.02466	2.4
269.00885	4.1
270.98840	20.0
271.99469	5.8
273.00391	32.7
274.01077	8.9
275.01965	19.4
276.02432	1.4
277.03659	2.2
282.98532	1.4
285.00348	5.0
286.98447	1.9
287.01825	2.1
288.99738	2.8
291.01465	3.9
294.00519	4.7
296.02036	3.7
297.00314	2.3
298.98337	22.5
299.99097	53.6
300.99875	100.0
302.00189	6.4
303.01431	3.9
305.03082	3.8
312.01688	1.6
312.99872	6.2
314.03177	3.6
316.99579	5.6
322.00116	5.6
324.01425	5.4
331.01019	2.8
337.99274	2.0
340.00949	21.4
349.02020	6.3
461.03348	2.0
615.04950	1.6
802.05688	1.7
905.06018	2.2
932.05682	4.2
954.06439	3.0
964.08661	8.4
965.08350	3.2
972.07141	6.2
986.09436	1.6
1004.10559	3.8
1005.09924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.2
70.50626	3.6
72.55958	1.1
74.28115	1.1
74.35258	1.2
81.03410	2.6
83.87380	1.0
98.21269	1.7
109.02883	1.4
112.60403	1.1
130.34485	1.4
138.36757	1.0
191.66277	1.4
227.71458	1.4
231.02867	1.6
245.05122	2.1
247.02406	1.3
250.71671	1.4
254.24126	1.0
259.02371	4.4
277.03326	4.7
303.01337	7.9
328.46585	1.2
352.63046	1.1
359.32950	1.3
444.05783	1.2
775.01733	2.0
783.06793	1.4
803.01184	5.8
821.02319	100.0
822.02124	1.8
991.04010	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	991.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.7
71.01345	0.7
71.59740	0.9
72.53093	0.5
73.02930	2.0
73.61821	0.6
77.83688	0.5
79.05498	1.8
81.03439	0.7
81.07057	1.8
83.08638	0.7
85.02917	4.1
87.20259	0.6
91.03970	1.5
91.05475	2.4
93.07050	1.5
95.08599	0.8
97.02872	3.8
101.02423	0.8
105.07048	1.9
107.08614	1.0
115.16606	0.5
119.08606	1.8
121.10199	1.0
127.03912	1.3
127.94299	0.6
168.15048	0.5
185.04233	1.3
185.14423	0.5
195.00334	2.1
201.03651	0.8
215.47505	0.5
220.04846	0.5
243.08464	1.7
274.84885	0.7
292.96985	0.6
347.09439	2.7
363.08984	1.0
365.10754	0.8
368.37802	0.6
405.13596	5.6
463.14481	0.8
465.20776	1.0
507.27182	1.7
535.28650	5.7
627.26105	0.9
687.27734	0.6
697.33936	8.3
698.34540	0.6
769.35944	1.4
829.50104	0.8
991.55884	100.0
992.55963	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	984.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	11.4
69.03786	0.5
71.01313	0.4
71.04967	0.6
71.59628	0.4
77.03878	0.4
79.05460	0.4
81.03407	23.2
83.01266	0.8
85.02901	4.1
89.03871	0.5
91.05440	0.6
97.02879	2.5
99.04436	1.2
101.02361	0.4
103.05402	0.9
105.03342	0.6
105.04011	0.2
107.04910	0.3
109.02866	12.6
111.04389	0.4
115.05494	0.3
117.03377	0.4
119.04897	0.6
125.02300	0.5
127.03893	3.7
129.03322	0.3
131.04900	1.2
133.02794	1.1
143.03282	0.4
145.02791	0.6
147.04337	1.1
148.84863	0.2
151.03856	0.4
153.01820	2.3
157.02797	0.9
159.04352	0.6
161.02304	1.5
161.03392	0.3
162.03093	0.5
163.03882	3.9
165.01791	0.7
173.02296	1.5
174.03119	0.3
175.03880	2.1
177.01778	0.6
177.05452	0.4
179.03307	1.2
185.02312	1.2
187.02431	0.4
187.03902	4.3
189.00441	0.3
189.01828	3.5
190.02531	1.0
191.03355	5.1
193.01262	0.6
193.04857	0.5
201.01790	4.4
202.02557	0.7
203.03357	4.4
205.01129	0.3
205.04871	0.9
207.02879	4.7
211.00346	0.4
213.01814	2.8
215.03368	4.4
216.00529	0.3
217.01288	6.9
218.02077	5.5
219.02859	7.5
220.03366	0.3
221.00797	1.3
221.04364	0.6
227.03328	0.3
229.01280	4.5
230.01927	0.8
231.02849	18.3
232.03345	0.5
233.04449	1.4
234.01509	0.6
235.02344	13.1
236.03143	0.4
239.01836	2.2
241.01253	3.1
243.02878	0.8
245.00793	5.5
245.04309	0.4
246.01498	0.9
247.02350	8.7
248.02937	0.6
249.03955	1.5
257.00784	7.3
258.01431	0.6
259.02347	33.2
260.02869	1.1
261.03946	2.2
262.00943	1.5
263.01828	3.9
271.02252	1.2
271.99521	0.4
273.00272	7.3
273.03299	0.3
274.01028	4.7
275.01828	15.4
276.02634	7.1
277.03397	98.4
278.03748	1.1
281.04578	0.3
285.00284	6.7
286.00833	0.3
287.01822	2.3
288.02563	1.2
289.00095	0.4
289.03381	6.0
291.01343	3.1
297.03864	0.5
300.99857	1.8
301.02972	0.4
302.00418	0.8
303.01306	100.0
304.01614	1.7
305.02863	3.8
308.03757	0.3
315.01294	1.1
319.00815	5.7
321.02399	4.7
331.00854	1.7
333.02374	8.7
335.04001	0.4
337.02417	0.4
339.05072	0.3
349.01877	0.6
351.03418	28.7
352.03656	0.4
355.04556	0.4
365.02737	0.5
367.04123	0.3
385.05579	0.6
399.03281	0.5
411.03311	0.8
417.04828	0.3
421.03824	0.7
429.04483	3.8
445.04074	1.1
447.05505	1.1
459.05441	0.9
463.04871	1.0
477.06613	9.4
478.06320	0.3
495.07538	1.2
765.05316	0.4
779.07477	1.0
797.08179	50.4
798.08240	2.1
815.08905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	2.7
74.66566	0.3
81.03407	5.0
81.78230	0.3
83.04944	0.5
85.02905	0.6
87.63818	0.3
97.02868	0.5
109.02853	1.8
112.89645	0.4
127.03906	0.6
133.02762	0.4
147.04335	0.3
149.02095	3.2
160.14595	0.3
161.02353	0.5
163.03925	1.3
167.03108	0.4
172.92235	0.4
173.02437	0.4
175.03923	0.6
187.03954	0.6
189.01797	0.7
191.03365	1.4
201.01886	1.4
203.03487	1.0
207.02896	1.8
213.01831	0.9
215.03401	0.9
217.01266	1.6
219.02869	1.9
221.00818	0.3
229.01306	0.7
231.02821	3.3
235.02324	1.7
241.01335	0.6
245.00906	1.3
247.02272	1.9
257.00775	1.5
259.02328	6.5
259.04773	0.5
263.01880	1.3
273.00360	1.3
275.01837	2.4
276.02676	1.0
277.03391	10.7
277.06329	0.6
285.00327	1.3
289.03177	0.4
290.88129	0.6
290.92892	0.4
291.01483	0.4
295.99286	0.6
299.01636	0.5
303.01288	7.8
304.01761	0.3
314.00424	0.6
319.00864	0.7
324.99527	6.1
337.01831	1.5
340.99228	0.4
343.00644	1.2
359.00043	0.8
361.01828	0.7
365.10724	1.0
374.02509	0.4
377.01236	1.2
381.08386	0.3
407.02817	0.4
451.03171	0.6
453.04425	0.6
457.03772	0.5
459.05469	0.6
463.05292	0.5
469.03741	7.5
485.03375	3.0
487.05032	1.1
490.96478	0.4
503.04239	9.4
568.78973	0.4
633.14185	1.4
715.05835	0.5
731.05121	0.4
743.05341	0.5
759.04193	4.7
761.05957	3.1
777.04889	0.7
783.06549	2.1
787.03754	26.0
788.03827	1.0
805.04822	100.0
806.04950	2.4
834.50812	0.4
846.08008	1.0
975.06921	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	970.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99740	0.5
69.03423	20.1
69.27045	4.9
71.01302	0.6
79.05441	0.5
81.03409	31.5
83.01299	1.1
85.02846	2.2
89.03891	0.9
91.05456	0.8
95.80878	0.4
97.02882	3.1
98.20759	1.0
99.04394	1.6
101.02351	0.5
103.05434	0.8
107.04902	1.0
109.02872	14.7
111.04422	0.5
117.03300	1.4
119.04880	0.9
125.51476	0.5
127.03069	0.6
127.03907	8.0
129.03311	0.5
131.43042	0.4
133.02831	2.6
135.04367	1.0
145.02808	1.3
147.04359	2.9
149.02266	0.4
149.27377	0.5
151.03883	0.9
153.01816	3.8
157.02798	0.9
159.04375	0.9
161.02260	3.1
163.03894	6.3
165.01799	1.3
173.02328	3.1
175.03828	3.1
177.05473	0.7
179.03365	2.7
181.01225	0.6
185.02226	1.4
187.03873	5.5
189.01785	6.0
190.02441	0.8
191.03377	10.8
192.04068	0.5
193.01277	1.3
193.04939	0.9
201.01823	5.8
202.02463	0.5
203.03363	5.2
205.01265	1.1
206.01920	0.5
207.02875	6.5
213.01834	3.7
215.03336	4.7
216.02705	0.6
217.01276	10.5
218.01936	0.7
219.02872	11.8
220.03476	0.7
221.00768	1.9
221.04361	1.1
229.01300	5.5
230.01895	0.9
231.02869	21.6
232.03120	0.9
234.00972	0.5
235.02347	15.3
241.01237	3.9
245.00775	11.3
246.01274	0.7
247.02353	15.9
248.02715	0.5
249.04039	0.6
257.00784	10.7
258.01459	0.8
259.02356	38.0
260.02728	0.8
261.04007	0.8
263.01855	5.6
269.04428	0.5
273.00305	9.6
274.00909	0.8
275.01828	21.0
276.02579	8.9
277.03406	100.0
278.03650	2.6
281.04639	0.6
285.00266	6.9
287.01755	0.9
289.03424	0.9
291.01401	3.9
300.99786	4.2
302.00406	1.3
303.01312	96.5
304.01648	1.9
305.02878	1.8
309.02332	0.5
315.01483	0.7
319.00815	5.4
321.02301	5.3
328.99194	0.7
331.00708	1.1
333.62540	0.6
337.01874	30.7
338.02426	0.8
407.02417	1.3
411.03647	0.9
429.04437	2.8
445.04099	1.2
447.05392	1.4
463.05075	9.7
481.06018	2.1
507.03317	0.6
765.05554	1.6
783.06683	65.9
784.06982	2.7
856.15912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	4.8
69.03419	4.8
69.56824	1.6
70.64984	5.9
79.05480	3.3
81.03407	4.6
82.06539	1.8
85.02879	6.2
91.05463	4.6
93.07043	8.2
94.06565	17.4
95.04955	3.8
95.07347	9.6
96.08123	19.4
97.02867	4.6
97.06400	1.8
106.06549	3.4
107.04925	2.5
108.04450	6.8
108.08103	30.0
109.02872	5.5
110.09669	31.1
120.04489	1.9
120.08086	23.7
122.06004	20.3
122.09669	4.6
124.07542	2.2
127.03902	4.9
132.08054	1.8
134.06004	6.2
136.07552	18.0
138.09117	43.1
145.02849	4.1
146.06020	4.2
148.07523	15.7
150.05502	2.9
150.09108	9.4
152.07039	5.8
153.01761	2.7
160.03944	18.8
160.07582	2.3
164.07054	4.9
166.08620	62.6
167.07021	1.9
172.03946	3.5
174.05479	3.0
174.09111	2.9
175.03929	2.4
177.05437	4.9
178.04915	2.6
186.09178	1.7
190.04961	3.7
192.06544	1.9
199.08647	2.2
199.18050	1.8
204.06537	6.0
207.06477	2.1
208.09981	2.9
211.08649	6.7
211.12250	5.8
212.09344	2.4
212.13098	2.1
213.10213	8.3
221.10672	3.2
222.11398	3.2
223.08557	10.2
223.12276	4.2
224.09319	2.1
225.10205	35.5
225.13832	5.1
226.10956	15.4
227.11734	13.4
229.13315	1.9
234.11209	2.4
235.08672	3.8
235.12230	3.2
236.09416	4.9
236.13028	2.5
237.10187	20.0
237.13872	6.7
238.10979	16.4
239.08113	14.7
239.11737	50.6
240.08687	2.0
240.12497	13.0
241.13338	5.9
244.09662	2.3
246.11308	3.4
248.09607	2.3
249.10161	14.4
250.10947	16.8
251.08141	6.8
251.11766	56.3
251.14421	2.9
252.08861	2.9
252.12413	8.8
253.09726	20.3
253.13351	39.6
254.10471	20.3
254.13205	2.0
254.14262	3.0
255.11331	2.2
263.11722	33.7
264.09149	2.9
264.12503	10.9
265.09750	20.3
265.13324	63.1
266.10464	13.9
266.13953	5.0
267.11273	31.3
267.14786	5.1
268.11951	7.1
269.12820	4.5
271.10709	7.8
272.11716	2.6
275.11725	2.5
276.09567	1.9
276.12436	2.3
277.03387	2.2
277.09760	5.4
277.13266	3.9
278.10498	7.4
279.11258	37.3
279.14316	2.9
280.12000	7.1
281.12811	52.4
282.13397	4.9
283.10739	15.8
283.14273	6.3
284.11401	5.7
285.12198	26.3
286.12961	7.5
291.11237	11.5
292.11984	5.5
293.12750	25.1
294.13531	4.8
295.10782	6.3
295.14410	8.7
296.11581	6.2
297.12299	21.0
298.13101	8.3
299.13916	28.2
300.14413	1.9
303.01425	2.1
307.10730	5.9
309.12292	72.7
310.12912	6.8
311.13849	41.1
312.14429	3.4
313.11966	2.6
313.15430	6.4
319.10721	5.8
319.14120	2.0
320.11899	2.7
321.12332	13.4
323.13928	4.3
325.11719	6.6
325.15201	2.9
326.12576	3.2
327.13351	82.2
328.13821	3.3
337.11795	11.1
338.12543	9.2
339.13318	21.4
340.14130	3.4
341.14911	41.6
342.15570	3.1
344.13773	4.1
351.13406	7.6
353.14890	20.0
357.14453	9.1
358.15305	3.8
359.16064	8.9
369.14389	44.6
370.15088	5.0
371.16061	35.5
372.16931	5.9
373.17352	2.2
379.12820	2.2
381.14310	4.2
383.15930	6.3
384.17029	2.3
386.18640	7.5
387.15503	2.2
389.15121	2.0
393.14529	3.6
395.15848	2.0
399.15454	4.7
400.16302	3.3
401.16992	7.0
402.18002	3.1
407.16107	2.8
409.17487	1.9
411.15442	16.2
412.16000	3.2
413.16968	14.0
414.18011	8.0
416.19632	7.6
425.16879	6.5
429.16422	11.6
430.17487	3.0
432.18973	6.0
434.20834	2.2
435.15424	9.9
437.17026	3.2
441.16324	4.9
442.17508	6.0
443.17969	12.9
448.18719	7.0
453.16434	27.6
455.17877	6.8
460.18585	33.5
465.16544	4.2
467.18140	2.9
471.17542	35.5
472.18381	3.2
473.19260	16.4
474.20258	19.9
480.21255	30.0
481.15869	5.5
483.17834	7.9
485.19037	3.4
490.19492	3.3
492.21222	70.5
493.21390	2.7
496.42679	2.1
497.18939	3.0
499.16867	2.5
501.18628	6.3
503.20349	4.1
506.22406	3.5
513.18420	10.9
515.20190	15.2
522.22467	10.4
523.22980	2.7
524.23956	2.7
530.23022	2.9
531.19421	11.3
533.21259	15.1
534.22272	17.0
540.21997	2.5
552.78906	2.0
556.20520	6.3
557.21448	2.6
562.21765	6.2
568.20709	8.2
574.21594	5.6
576.22980	2.1
586.21710	15.9
588.23413	31.4
592.22620	9.3
594.24408	60.2
595.25043	6.9
600.14099	2.1
600.23395	34.4
601.23792	2.8
604.22565	15.7
606.24432	29.8
607.24731	2.9
613.26434	37.7
614.26978	2.9
618.24261	33.8
622.23785	6.4
624.25409	100.0
625.25458	6.5
627.27783	2.8
631.25549	4.1
632.25275	5.2
636.25415	87.5
637.25464	3.7
642.26239	3.5
645.28961	14.8
654.26526	43.3
655.27100	2.3
664.24213	2.7
667.27094	6.2
668.27930	3.3
685.27350	2.4
687.30011	2.9
693.28851	5.1
703.26947	2.5
707.30341	5.8
711.29504	2.9
721.28009	5.5
725.31732	33.5
729.30780	5.4
735.29309	2.9
739.29437	8.4
743.32776	23.8
753.31274	26.7
757.30585	15.1
761.34137	21.4
771.32294	15.6
775.31091	5.5
789.33258	39.9
807.34045	2.7
879.98798	1.9
887.36609	2.1
968.81885	2.0
969.43890	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	965.088
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99773	2.2
69.03417	27.8
71.01334	1.9
71.04970	1.7
71.59125	0.6
77.03908	0.6
79.01830	1.0
79.05460	0.9
81.03403	43.5
83.01324	10.6
83.20561	0.4
85.02892	5.3
89.03903	0.9
91.05465	1.6
93.03379	0.5
95.01322	1.2
95.04972	0.7
97.02872	7.2
99.04420	2.4
101.02355	1.8
102.75884	0.5
105.03334	1.1
107.04936	0.9
109.02858	22.5
110.21275	0.4
111.00787	3.5
113.02324	1.1
115.05389	0.5
117.03366	1.7
119.04935	1.1
123.00779	1.4
123.04400	0.4
125.02322	1.7
127.03898	14.2
129.13911	0.4
131.04919	0.5
133.02838	3.6
135.04369	1.7
137.02290	1.3
139.00238	9.1
140.00986	0.6
143.03369	1.0
145.02853	2.6
145.04953	1.3
147.04393	3.0
149.02271	0.5
151.03842	0.9
153.01805	17.9
157.01306	4.7
157.02681	0.8
159.04369	0.7
161.02312	4.6
163.03894	9.9
165.01836	1.8
166.99716	0.5
169.01312	6.9
171.02924	0.5
171.04369	1.1
173.02339	2.6
174.03072	0.6
175.03868	2.3
177.01775	1.4
177.05453	1.3
179.03351	3.6
181.01276	0.7
185.00798	10.3
185.02383	1.0
186.01582	3.4
186.03069	0.8
187.03929	1.2
189.01808	11.7
190.02603	1.8
191.03363	11.5
193.01263	2.1
195.02773	0.5
199.03912	1.4
201.01816	4.4
201.03883	1.3
202.02477	1.0
203.03290	2.8
205.01266	1.1
205.04767	0.8
207.02858	8.3
207.04697	0.6
207.06480	0.7
209.00815	1.2
211.03864	1.0
213.01849	0.9
213.05421	1.0
214.02501	0.5
215.03354	2.0
217.01280	20.3
218.02081	3.5
219.02855	13.6
220.03421	0.5
221.00746	3.9
221.04366	1.0
227.03285	0.5
229.01262	3.1
229.04840	0.7
230.02061	0.7
231.02817	8.0
232.03632	2.6
235.02318	22.6
236.02855	0.6
237.42221	0.5
239.03523	0.9
241.01291	1.4
241.04976	1.6
242.01894	0.5
243.02786	2.6
245.00780	17.0
246.01244	1.1
247.02347	12.9
248.02756	0.8
251.03427	0.9
255.02921	0.7
257.00705	5.1
257.04391	0.6
258.01657	0.6
259.02338	10.8
260.03116	8.2
260.61099	0.5
261.03931	5.1
263.01804	9.1
265.03827	0.5
267.02896	2.3
269.00961	0.7
269.04416	1.7
271.02380	0.5
273.00250	15.1
274.00961	1.7
275.01791	11.0
276.02368	2.5
277.03540	1.6
277.73392	0.4
279.02881	1.2
281.00851	0.5
281.04547	0.5
283.02551	1.0
283.05737	0.6
285.00208	2.5
285.03592	1.0
286.00986	5.2
287.01822	18.2
287.05066	1.0
289.03491	0.6
291.01273	6.4
292.01773	0.6
295.02365	2.7
297.03876	4.6
299.01920	1.0
300.99783	6.1
302.00565	2.8
303.01340	5.3
304.01971	0.6
305.00314	2.3
307.02332	1.6
309.02719	0.4
310.01212	0.8
310.98541	0.5
311.01743	1.0
312.99738	4.2
313.03317	2.0
315.01456	0.9
315.04919	0.8
319.00793	23.0
320.01254	0.7
323.01782	7.1
323.05194	0.7
324.02313	0.5
325.03384	2.9
328.99249	2.9
329.02753	0.8
331.00729	1.8
333.00189	0.5
335.01779	1.7
337.01834	50.5
338.02481	1.3
339.01181	0.6
341.02805	2.4
342.03409	0.6
343.04456	1.2
351.00839	2.3
352.02048	0.6
353.02902	3.0
357.02322	1.0
361.01733	0.7
363.01227	3.0
369.02478	4.4
371.03952	2.8
379.00558	7.4
380.01324	1.3
381.02380	6.7
391.00833	2.3
397.01791	5.2
399.03433	1.8
407.00235	17.6
408.01016	0.9
409.01746	5.4
415.02783	0.8
416.99170	0.5
417.04544	1.3
425.01312	4.0
426.01971	0.7
427.02890	16.7
428.03012	0.6
434.99783	12.2
435.05539	1.1
436.00305	0.6
445.03857	5.2
453.00812	100.0
454.01141	3.0
459.00735	0.4
459.05490	12.4
463.04990	22.3
464.05310	1.0
471.01874	22.6
471.08670	1.1
472.01852	0.8
480.99988	1.1
481.06180	9.8
485.03473	36.2
486.03549	1.4
489.02731	2.4
503.04547	1.0
507.04324	0.7
561.02747	3.8
579.03967	2.5
597.04968	0.9
759.18866	0.5
795.05951	0.9
915.04346	0.9
933.05658	3.8
965.08295	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	959.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.3
69.03425	2.8
69.07069	0.5
71.08604	1.1
73.02912	2.1
79.05484	1.8
81.03414	1.1
81.07055	2.9
85.02899	4.6
91.03948	2.9
91.05466	1.5
93.07041	2.1
95.08607	1.6
97.02886	5.1
101.02378	1.8
105.07063	0.7
107.08600	1.2
109.02905	0.9
109.10162	1.3
119.08608	0.5
121.10114	0.5
127.03909	0.9
130.52666	0.5
142.80237	0.5
173.13228	0.5
185.04323	0.7
203.05252	0.7
243.08452	2.1
335.25983	0.5
347.09576	1.9
358.42825	0.5
405.13651	2.9
519.29169	5.7
681.34467	9.7
720.81934	0.6
797.52203	0.7
959.56866	100.0
960.56110	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	965.088
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82656	1.0
68.99786	1.2
69.03422	21.3
70.06560	1.2
71.01356	1.7
71.59337	1.9
72.12453	1.0
77.03947	1.0
79.05471	1.6
81.03407	46.2
83.01323	7.7
85.02908	2.9
88.86774	0.9
89.03915	1.7
91.05497	1.2
95.01302	1.8
97.02907	3.9
99.04444	1.2
101.02370	1.2
104.14359	0.8
104.23006	0.9
105.03386	1.1
107.04954	1.4
109.02863	23.3
110.62978	1.0
111.00796	1.8
111.04346	0.8
113.02364	1.3
115.91131	0.9
117.03386	2.3
123.00778	1.9
127.03905	7.9
129.03354	1.2
133.02853	4.5
135.04427	1.5
135.94559	0.8
139.00232	7.4
140.01022	1.1
145.02875	2.8
147.04405	4.0
153.01785	6.3
157.01306	4.9
157.02611	1.3
157.31288	0.9
161.02306	4.9
162.03113	1.0
163.03889	11.6
165.01840	2.7
166.99760	1.4
169.01305	19.4
173.02361	3.7
175.03894	9.0
177.01811	2.7
177.05469	1.4
179.03352	4.5
183.04347	1.1
185.00810	12.2
185.02319	3.8
185.03748	1.0
186.01614	4.2
189.01808	11.1
190.02583	1.6
191.03363	12.1
193.01244	2.1
197.00821	3.7
199.03912	1.4
201.01845	6.4
201.03799	2.1
202.02559	1.6
203.03348	8.0
205.01294	1.6
207.02879	10.5
211.02289	4.3
213.01825	6.8
213.05408	2.0
215.03358	3.9
217.01318	15.2
218.02077	2.6
219.02863	14.4
221.00795	2.3
221.04362	1.4
229.01366	5.0
229.05028	1.6
230.02074	3.6
231.02843	17.8
232.03644	1.6
235.02328	20.1
235.04572	1.2
239.03395	3.0
241.01320	5.2
241.04967	2.8
243.02882	2.6
244.57413	0.9
245.00812	15.9
245.04440	1.7
246.01398	1.1
247.02350	12.0
249.03902	1.4
251.03448	2.1
255.02885	3.2
257.00830	6.1
257.04468	1.9
258.01431	1.9
259.02365	28.5
260.03113	8.4
261.03922	12.0
262.01025	1.1
263.01831	8.1
267.02896	4.8
268.03772	1.0
269.00894	2.1
269.04501	4.0
271.02438	1.9
271.05954	1.0
273.00266	13.2
274.00827	1.7
274.04733	1.9
275.01794	15.3
276.02646	4.1
277.00845	1.6
277.03482	4.4
279.02789	3.3
281.04297	1.0
285.00305	6.3
285.03717	2.0
286.01059	11.2
287.01828	100.0
288.02182	2.8
289.03256	1.9
291.01410	2.6
295.02380	6.1
297.03903	6.2
299.01941	1.9
300.99686	5.9
302.00537	10.8
303.01276	10.2
305.03201	8.8
307.02374	4.0
311.01889	1.3
313.03323	5.0
314.03784	1.2
317.02884	8.2
319.00711	10.0
323.01810	11.2
324.02536	2.0
325.03430	6.0
327.01523	1.0
327.05002	1.1
329.02936	2.1
331.00891	1.1
335.01852	2.7
337.01819	36.5
339.01282	1.5
341.02768	3.8
343.04379	2.2
351.01242	9.3
351.04645	1.1
352.02164	1.0
353.02835	9.2
355.04648	1.0
357.02423	2.0
360.99854	3.5
363.01407	7.4
365.02875	1.6
367.04504	2.3
369.02350	11.2
371.03973	5.9
379.00681	12.7
380.01355	3.5
381.02393	17.5
382.03036	2.4
383.03879	2.4
388.99191	4.9
391.00632	5.7
395.03976	3.8
397.01556	8.3
398.02826	1.0
399.03296	4.4
407.00143	15.6
409.01929	14.4
410.02478	2.3
416.98853	2.2
417.04379	1.3
423.03323	3.3
425.01266	9.1
426.02112	3.9
427.02921	50.0
428.03265	1.8
434.99670	5.5
437.01599	1.2
439.02951	9.2
441.04495	9.9
445.03995	3.4
451.99817	1.1
453.00836	94.0
454.01276	3.6
459.05484	17.5
463.05225	10.3
467.02505	18.2
471.01901	8.6
481.06592	2.1
485.03464	85.3
486.03687	2.6
503.04755	1.2
579.03766	2.7
597.05310	1.6
629.07434	1.9
823.29578	1.2
905.35065	1.0
933.06036	5.9
965.08661	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	0.8
69.03422	5.5
70.19601	2.6
71.01339	0.7
73.02907	0.6
78.14429	0.5
81.03415	30.0
83.01334	0.9
85.02895	2.0
91.05499	1.0
93.03371	0.8
95.01324	4.3
97.02859	1.4
99.00803	1.5
99.04443	1.5
103.05471	0.7
109.02879	14.3
111.00793	1.4
111.04441	1.3
113.02351	1.0
117.01853	0.7
119.04917	0.7
121.02829	1.2
123.00778	1.3
125.02397	0.8
127.03915	3.0
131.04880	0.6
134.67734	0.5
137.02315	3.7
139.03876	1.8
141.01825	4.0
147.04427	2.2
153.01814	2.5
157.02814	1.3
163.03885	1.4
165.01834	8.2
166.36241	0.6
167.03387	5.1
169.01387	0.8
173.02370	2.1
175.03876	2.5
176.93465	0.5
177.01825	1.5
179.03436	0.7
179.90843	0.6
183.02888	4.9
185.02383	1.7
185.04356	1.0
187.03894	4.2
191.03362	2.5
193.01323	10.0
195.02864	1.9
201.01848	3.0
201.03865	1.2
203.03429	5.0
207.02919	0.7
211.02409	2.2
213.01915	3.8
215.03342	4.2
217.01324	1.5
219.02881	2.5
221.00807	35.5
229.01335	2.9
229.03462	1.5
230.02164	0.8
231.02872	18.9
231.05191	1.1
233.04330	0.8
235.02353	0.9
236.89644	0.6
239.01846	25.6
241.01349	3.3
245.00781	0.9
247.02359	6.5
247.04672	0.7
257.00769	4.2
259.02374	33.4
260.02731	0.9
261.04129	0.6
263.01880	0.8
271.02078	0.7
273.00299	1.6
275.01862	9.1
276.02643	3.0
277.03427	100.0
278.03674	0.7
285.00363	3.0
287.01956	0.8
289.03360	0.7
301.03244	0.8
302.00446	1.1
303.01337	55.1
304.01755	0.8
305.02676	0.9
311.01816	0.8
313.03259	0.6
315.01248	0.8
317.03033	0.7
321.02344	4.5
337.02176	0.7
341.02927	0.8
347.03729	0.7
365.05261	1.4
394.99063	0.7
403.03009	0.6
429.04453	0.6
447.05493	0.9
449.03467	1.8
459.07840	0.6
477.02591	2.8
495.04077	11.2
562.42761	0.6
603.05658	0.6
621.07111	1.4
639.08405	2.9
704.27264	0.7
959.09833	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	954.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	90.0
69.03411	4.7
69.06732	1.6
69.07060	21.4
71.04966	5.4
71.59289	2.2
73.02892	6.3
79.05481	62.3
81.03395	1.6
81.07046	89.0
83.04984	2.0
83.08604	11.0
85.02890	23.3
85.06558	2.4
91.03950	15.2
91.05467	37.4
93.07031	68.5
95.04945	6.3
95.08595	73.4
95.74523	1.7
97.02887	10.7
97.06524	3.6
97.10153	4.2
105.07020	29.3
107.04974	1.7
107.08579	30.6
109.06499	3.1
109.10134	30.2
111.08075	1.7
117.06990	9.5
119.07789	2.4
119.08576	27.0
121.09306	2.4
121.10133	32.6
123.11695	9.5
127.03873	5.9
129.06970	3.7
131.08530	15.5
133.10106	18.1
134.06519	1.4
135.11674	18.2
135.68463	1.5
137.09596	2.2
137.13174	3.8
143.08481	3.8
145.04927	6.8
145.10106	16.1
147.11681	14.0
149.13252	14.3
157.10066	2.8
159.11670	12.0
161.13277	12.1
163.06009	6.8
163.14766	4.7
169.10173	1.5
171.11693	3.7
173.13226	8.6
175.14807	3.6
177.16246	2.2
183.67154	1.8
185.13263	3.9
187.14774	7.9
189.16327	2.0
201.16373	2.1
215.17807	1.6
236.75067	1.7
241.19612	2.7
243.21021	6.4
259.20532	11.7
261.22131	22.4
263.23688	2.3
299.23590	2.0
317.24759	3.8
321.84085	1.7
333.24274	8.4
335.25735	100.0
336.26105	4.4
337.27356	14.7
543.40143	1.9
595.46942	19.6
596.47174	1.6
613.48181	22.0
768.88116	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03437	0.8
67.05505	0.5
69.03407	1.4
70.94640	1.0
71.04974	0.4
72.08147	0.5
79.05452	1.1
80.05013	0.8
81.03412	1.4
81.07015	0.4
82.06548	0.8
85.02885	2.3
86.09654	0.5
91.05458	1.6
93.03392	1.4
93.05789	0.6
93.07003	1.6
94.06547	4.6
95.04969	0.6
95.07344	1.1
96.08127	3.8
97.02853	0.9
104.04879	0.4
106.06528	1.0
107.07303	0.6
108.04451	3.1
108.08109	5.9
109.02858	1.1
110.06048	0.5
110.09663	7.3
118.06514	1.0
120.04457	3.9
120.08090	5.5
121.06487	0.5
122.06017	6.1
122.09632	1.4
124.07574	8.0
127.03876	0.7
134.05994	3.1
136.07555	7.0
138.05438	0.4
138.09117	9.8
144.04436	0.8
145.02831	0.8
146.05988	66.7
147.04375	0.7
147.06337	0.5
148.07547	5.6
150.05515	0.6
150.09134	2.4
152.07086	2.6
153.01797	2.8
158.09682	0.6
160.03897	0.8
160.07538	0.8
162.05516	1.0
164.07060	2.0
166.08618	16.1
167.06931	0.4
167.08888	0.4
172.03925	3.5
172.07561	0.8
174.05367	0.5
176.07031	1.1
177.05397	0.5
180.08035	0.5
182.09702	0.7
183.09218	0.7
184.09901	0.6
186.09123	1.1
187.08704	0.5
190.04959	15.6
193.08717	0.7
196.09914	0.6
197.10773	1.6
199.12312	1.6
207.06528	0.7
209.10750	1.5
210.09192	0.9
210.11420	0.8
211.08644	3.6
211.12325	1.0
212.09383	2.2
213.10187	1.3
215.11806	0.6
223.08667	1.1
223.12305	0.9
224.09213	0.7
225.10164	6.6
225.13779	0.8
226.10951	1.2
227.11763	15.0
228.12430	0.4
229.13248	0.9
234.11446	0.5
235.12325	0.5
237.10184	3.2
238.10965	1.7
239.11784	3.6
240.12473	0.9
241.09727	0.9
241.13304	2.6
242.11736	0.6
243.11232	0.7
245.12781	1.0
249.10150	1.1
250.10994	0.8
251.08142	0.6
251.11739	3.4
252.12512	1.1
253.09740	1.8
253.13356	5.5
255.11317	1.0
257.12820	1.1
259.02313	0.5
261.10211	0.5
263.11743	0.5
264.08975	0.9
264.12268	0.4
265.09668	1.3
266.10501	0.7
267.11215	1.4
269.12796	7.4
270.09952	0.8
271.10828	3.4
271.14404	11.9
272.15033	0.4
273.12314	4.1
273.85602	0.4
277.03461	0.9
277.09601	0.8
279.11316	2.1
281.09747	0.6
281.12787	4.6
283.10666	3.8
284.11450	3.1
285.12320	9.0
286.12985	2.2
287.13852	25.6
288.14743	0.6
293.12726	0.6
295.10739	1.9
297.12274	10.0
298.13092	1.4
299.13861	100.0
300.11200	0.5
300.14365	1.9
301.12332	1.1
301.15677	0.5
302.13028	0.6
307.10712	0.7
309.12070	0.6
311.10516	0.5
311.13925	1.7
312.15036	0.8
313.12299	0.6
313.15643	1.1
314.13107	1.7
315.13547	2.2
316.14468	3.9
317.15115	1.1
318.15988	0.9
321.12177	1.9
323.10260	1.9
325.11707	4.9
326.12830	0.6
326.16565	1.3
327.13547	1.3
327.17307	0.5
328.10751	0.9
328.14551	2.2
329.15164	1.6
330.12302	0.9
330.15921	6.1
331.16837	5.4
332.17441	0.9
335.83493	0.5
337.11688	0.5
339.13483	2.5
340.14523	0.8
341.11612	0.6
341.15378	0.7
342.12415	2.5
342.16098	1.1
343.12967	4.0
343.16711	0.8
344.13846	1.8
344.17615	2.2
346.15445	0.6
346.19214	0.9
355.13919	0.7
356.13922	2.8
357.14832	2.0
358.15442	6.7
359.16080	1.6
360.17126	1.2
370.15524	1.4
370.19562	0.6
371.16547	1.0
372.17126	5.8
373.17770	4.9
374.14905	0.6
376.16577	0.6
378.13190	0.6
378.18079	9.3
378.22308	0.3
382.11789	1.2
383.12579	0.9
384.13458	1.7
385.14413	1.2
386.14432	0.7
386.18600	1.8
388.16125	0.5
388.20459	0.7
390.18073	10.2
395.16144	0.6
398.14935	5.9
399.15707	8.6
400.16461	1.2
402.18185	4.2
404.15948	1.1
413.17191	0.8
414.18146	5.8
416.15891	5.8
418.17563	0.5
419.18381	0.6
420.19138	9.6
421.20190	0.6
422.16748	0.5
428.16110	1.2
430.17484	0.7
431.18265	1.5
432.19153	40.6
433.19781	0.8
440.16010	1.5
443.18195	0.4
446.17023	1.7
449.19031	1.2
458.17056	7.3
460.18365	0.7
461.19110	7.1
476.17975	1.0
487.17026	1.7
492.37076	0.4
525.25073	1.1
539.26636	0.6
541.24146	0.6
543.26062	0.8
558.22687	0.7
565.24219	0.6
567.26196	3.9
569.24030	1.0
576.23370	1.0
583.25092	0.6
584.26093	1.0
585.26996	81.4
586.27362	1.7
593.24377	0.7
594.24396	1.3
611.24927	23.8
612.25159	0.6
620.22223	1.1
629.26019	3.7
729.31146	4.1
730.32098	0.5
745.31427	0.5
747.19464	0.6
747.32129	8.6
755.28741	1.0
773.16656	0.8
773.30164	13.3
791.31189	1.6
891.35797	0.5
926.96918	0.5
935.34949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.0
70.91590	0.2
70.91927	0.5
77.03945	0.2
77.70242	0.2
79.01844	6.1
81.03410	5.3
81.03807	0.1
83.01310	0.2
85.02918	0.3
87.00810	0.2
91.05476	0.7
97.02879	2.1
99.04450	0.4
103.05452	0.9
105.03338	0.4
107.01300	1.2
107.04962	0.3
109.02867	4.8
117.03406	0.4
119.04937	0.6
123.00842	0.3
125.02325	3.4
127.03898	3.2
129.03389	0.5
131.04893	0.9
131.05836	0.2
133.02847	0.3
143.03384	7.5
145.02838	0.6
147.04382	1.8
153.01813	62.7
153.02800	2.7
154.02124	0.4
157.02823	2.0
159.04404	0.4
161.02309	0.8
163.03889	1.1
173.02324	0.6
175.03886	2.4
177.01765	0.2
179.03352	0.5
185.02328	2.0
187.03889	5.6
189.01776	1.5
191.03412	1.5
201.01814	1.3
203.03381	4.2
205.04892	0.2
207.02914	0.6
208.40800	0.2
213.01808	4.0
215.03372	4.1
217.01295	1.8
219.02943	1.5
221.00777	0.4
229.01373	1.3
230.02258	0.3
231.02863	22.6
232.03250	0.3
233.04471	0.5
235.02316	2.8
240.98834	0.3
241.01295	4.1
243.02924	0.2
245.00780	1.9
247.02435	2.7
247.72072	0.2
257.00775	2.1
259.02362	35.2
260.02927	0.6
261.03995	1.4
261.06305	0.2
263.01862	1.1
273.00342	1.9
274.00745	0.4
275.01785	3.8
276.02560	0.8
277.03400	100.0
278.03702	1.3
279.05005	0.7
285.00241	1.6
291.01459	1.0
300.99777	0.7
302.00507	0.4
303.01312	24.1
304.01489	0.2
319.00787	2.0
321.02356	2.0
327.04938	0.2
337.01877	9.4
338.02048	0.3
385.05484	0.3
427.02930	0.4
429.04327	0.5
445.03937	1.9
447.05420	0.6
463.05045	2.1
615.06085	0.3
633.06604	0.7
636.69171	0.3
820.10883	0.2
935.07678	1.8
936.06140	0.3
953.08954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.3
71.04997	0.3
71.59521	0.4
73.46223	0.2
76.49424	0.2
79.01849	6.1
81.03406	7.5
85.02914	0.4
91.05490	0.8
97.02897	1.6
99.04439	0.3
103.05471	1.0
105.03374	0.5
107.00694	0.2
107.01312	1.3
109.02863	5.4
109.03577	0.4
112.11248	0.3
117.03439	0.3
119.04953	0.5
125.02332	3.8
127.03907	3.3
129.03395	0.6
131.04926	1.1
133.02818	0.4
135.04416	0.3
143.03377	7.2
145.02814	0.6
147.04422	1.1
153.01813	62.8
153.02841	3.1
154.02180	0.6
157.02850	1.6
159.04416	0.7
161.02303	0.7
163.03906	1.1
173.02341	0.8
175.03864	2.7
177.05486	0.6
179.03394	0.6
185.02274	1.5
187.03886	4.9
189.01895	1.2
191.03412	1.3
193.01341	0.3
201.01823	0.9
203.03363	4.3
207.02884	1.4
207.06622	0.3
213.01791	3.8
215.03360	4.3
217.01323	2.1
219.02878	1.7
221.04442	0.3
229.01335	0.7
230.02057	0.5
231.02850	21.4
232.03278	0.3
233.04521	0.3
235.02341	2.5
239.01917	0.3
241.01303	3.8
245.00766	1.8
247.02393	1.9
257.00797	1.4
259.02353	35.7
260.02911	0.8
261.03864	0.5
263.01917	1.0
273.00241	1.6
275.01831	3.2
276.02591	1.1
277.03400	100.0
278.03668	1.6
279.04977	0.6
285.00281	1.1
289.68726	0.2
291.01398	0.7
300.99728	0.7
302.00516	0.4
303.01297	13.8
319.00760	1.7
321.02356	2.3
337.01868	8.1
338.02466	0.2
355.04437	0.3
363.98013	0.2
379.02905	0.3
386.62091	0.2
399.03247	0.4
403.02872	0.5
417.04575	0.3
427.02838	0.3
429.04495	0.3
445.04239	1.3
447.05508	0.3
463.04779	1.5
615.06018	0.7
633.07422	1.5
935.08185	1.7
953.08948	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	951.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46753	0.7
69.03450	0.8
69.73483	1.6
69.73883	4.1
73.02906	2.4
85.02876	0.9
98.20766	0.9
137.02327	1.0
144.58427	0.7
153.01764	1.8
167.07072	2.3
177.05550	0.8
181.04973	1.1
207.06648	1.6
253.13026	0.7
285.04034	1.1
299.97153	2.2
300.97919	2.4
301.03418	2.6
302.04181	10.8
315.96750	0.9
316.97568	3.3
317.06522	13.9
317.98166	3.6
318.07141	0.9
318.99057	3.4
319.85632	0.8
322.79333	0.8
327.96439	1.0
328.97333	1.8
332.97018	1.1
334.98392	5.0
344.96912	4.3
345.97629	4.1
346.98633	2.2
356.96957	2.7
358.98480	1.9
359.95630	10.6
360.95981	1.1
362.97989	9.8
363.98773	1.1
370.98764	3.2
372.96564	3.4
373.97339	1.4
374.97955	26.7
387.95090	11.8
387.99747	1.0
388.95660	7.4
388.99686	23.5
390.00235	1.8
390.97488	4.2
391.98218	7.4
392.99017	28.5
397.99780	1.9
402.97247	5.7
404.99283	1.2
405.99756	6.5
407.00598	33.3
408.01050	0.9
411.95670	1.0
412.01089	4.7
415.98453	2.1
417.15823	1.2
420.98599	1.0
427.98203	1.1
430.00003	2.5
431.00565	10.2
442.00281	1.6
443.00540	6.2
445.02478	2.2
449.10849	2.1
455.00876	1.8
467.00607	2.4
471.20615	1.1
472.04190	1.0
485.01797	1.3
503.02747	9.8
599.04791	1.8
600.99915	1.7
627.99750	1.1
628.99994	19.9
644.02069	1.7
656.99200	5.2
672.01917	58.3
673.02484	1.7
686.03748	2.9
687.04266	100.0
688.04584	2.5
728.07422	1.2
771.24792	0.8
804.06165	7.0
819.08478	49.3
820.08740	1.4
860.11383	1.5
951.12463	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	951.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.6
69.03070	1.0
69.03424	13.8
70.79124	1.6
71.01366	0.8
81.03412	31.6
83.01328	2.9
83.88201	0.6
85.02893	2.4
89.03918	1.1
91.05486	1.0
95.01314	0.9
97.02886	3.1
99.04433	0.9
105.03322	0.7
107.04963	1.0
109.02873	18.1
111.00820	0.8
113.02345	1.5
117.03360	1.9
119.04937	1.2
125.02347	0.5
127.03902	6.9
129.03348	1.0
131.04915	0.7
133.02844	2.6
135.04439	1.1
137.02344	0.7
139.00287	3.1
140.01050	0.9
141.01828	0.8
145.02831	2.3
146.03479	0.6
147.04401	3.0
151.03882	0.8
153.01843	5.5
157.01300	2.3
157.02643	0.6
159.04472	0.7
161.02409	3.3
163.03899	8.4
165.01846	1.8
169.01306	21.1
173.02365	3.1
175.03905	4.0
177.01820	1.6
177.05507	1.7
179.03383	2.3
185.00826	4.0
185.02373	2.0
185.05869	0.7
186.01544	2.7
187.03922	1.1
189.01831	7.6
190.02652	1.0
191.03365	8.1
193.01306	1.6
193.04962	0.6
195.04413	0.9
197.00861	3.0
199.03949	0.8
201.01810	4.3
202.02611	1.1
203.03371	6.2
204.04121	1.1
205.01334	1.6
207.02815	6.3
207.04404	0.6
209.00771	1.3
213.01907	3.7
213.05426	1.5
215.03381	2.2
217.01315	13.1
218.02037	2.6
219.02901	10.1
221.00758	3.2
223.03940	1.2
225.59216	0.6
229.01318	5.5
229.04915	0.8
230.02145	2.8
231.02878	11.7
232.03621	1.9
235.02333	13.4
239.03615	0.8
241.01297	2.1
241.04997	2.5
242.02118	0.7
243.02922	2.2
243.06549	0.6
245.00790	17.3
245.04649	0.8
246.01340	0.9
247.02371	9.4
251.03418	1.8
253.04974	1.8
255.02876	1.1
257.00787	7.8
257.04587	0.8
258.01712	1.6
259.02383	15.0
260.03140	13.0
261.03900	6.1
263.01682	4.2
267.02869	1.3
269.01038	0.9
269.04425	3.2
273.00281	8.7
273.03421	1.0
274.00955	1.1
275.01862	15.0
276.02496	3.6
277.03470	2.9
279.02924	3.1
281.04523	1.5
283.02396	1.1
285.00381	6.4
285.03546	1.2
286.01022	6.9
287.01855	47.4
287.05084	2.2
288.02118	0.9
291.01266	2.5
295.02432	1.7
297.03912	9.4
299.01929	1.0
300.02600	1.1
300.99844	5.2
301.03146	1.1
302.00555	2.1
303.01318	7.3
305.03073	7.0
307.02295	2.9
309.03748	1.4
311.01770	0.8
313.03415	1.7
315.04843	1.0
319.00656	5.0
323.01880	4.1
325.03439	7.4
327.01559	1.1
327.05063	1.1
329.02997	2.0
335.01840	1.8
337.01822	25.5
341.02893	1.4
342.03671	0.7
343.04388	2.9
351.01450	2.8
352.02417	0.8
352.77228	0.8
353.02930	6.0
355.04489	1.0
357.02313	2.0
360.99683	1.1
363.01239	2.9
363.38031	0.6
365.02960	2.5
369.02481	6.2
371.03967	9.4
379.00726	4.6
380.01340	0.9
381.02377	28.2
382.02838	1.4
383.03940	4.4
388.99246	1.6
391.00824	2.4
397.01874	3.9
399.03482	6.7
406.99966	3.9
409.01865	13.6
410.02725	1.4
425.01477	5.8
426.01974	1.6
427.02930	100.0
428.03387	2.4
435.00049	1.2
439.02982	0.7
443.02612	0.9
445.04013	13.3
445.09720	1.2
453.00851	26.7
463.04996	7.4
469.00668	0.9
471.01929	45.4
472.02466	0.8
481.06140	1.6
489.03067	1.2
505.04062	0.6
519.75006	0.7
549.03143	1.1
561.02588	1.3
579.04205	1.4
597.04523	1.3
615.06122	1.1
807.37799	0.7
933.05920	4.1
950.90179	0.8
951.07483	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	941.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01856	1.4
67.05501	0.3
68.99780	2.6
69.03421	8.5
70.06578	0.5
71.01348	0.6
71.04987	0.7
71.59030	0.3
79.01833	2.0
79.05491	0.2
81.03403	30.7
82.03752	0.2
83.01333	1.5
83.04964	0.5
85.02893	2.6
88.04803	0.2
89.03915	0.5
91.01845	0.4
91.05462	0.8
92.99741	2.4
93.03387	1.5
95.01311	5.2
95.04945	0.3
97.02885	3.2
99.00806	1.1
99.04409	1.4
101.02353	1.4
103.05447	1.0
105.03373	0.5
107.01303	0.5
107.04926	0.3
108.02085	0.5
109.02862	23.6
111.00755	1.3
111.04439	1.2
113.02335	1.1
117.01833	0.2
117.03377	0.7
119.01284	1.3
119.04948	0.6
121.02852	4.4
123.00778	2.8
123.04391	0.5
125.02364	1.8
127.00235	0.4
127.03896	5.5
129.01820	0.3
129.03346	0.4
129.13908	0.3
131.04906	0.6
133.02820	0.4
135.00711	0.2
135.04396	0.2
137.02312	3.8
139.00211	0.9
139.03870	1.3
139.39461	0.2
141.01790	2.5
145.02821	1.0
145.04906	0.3
147.00768	0.6
147.04425	1.8
148.01535	0.4
149.02332	3.9
151.00256	1.5
153.01820	1.3
155.03372	0.3
157.02811	1.4
159.04338	0.4
161.02286	0.6
163.00253	0.4
163.03864	2.3
165.01811	12.5
166.99738	1.6
167.03383	4.6
169.01283	1.7
171.04399	0.5
173.02315	2.5
175.00340	0.4
175.03867	3.5
177.01839	1.5
177.05354	0.3
178.99696	0.3
179.03371	0.5
181.01305	1.2
182.99287	1.6
183.00647	0.3
183.02861	0.7
185.00848	0.4
185.02220	1.4
187.02258	0.5
187.03882	5.4
189.01813	1.2
190.99586	0.3
191.03386	3.8
192.04088	0.2
193.01295	40.8
194.01703	0.9
194.99222	1.2
195.02843	1.8
197.00851	0.6
199.03928	0.4
201.01804	5.5
202.02588	0.6
202.99757	0.9
203.03349	6.5
205.01236	1.7
207.02927	1.0
209.00815	0.7
210.01634	0.3
211.00465	0.4
211.02316	2.9
213.01813	3.7
213.05298	0.2
215.03337	4.7
217.01329	2.2
217.05000	0.3
219.02864	6.8
221.00772	61.5
222.01132	0.9
222.98688	0.5
223.02147	0.3
227.03336	0.5
229.01279	6.1
229.04854	0.3
230.01996	0.8
231.02841	24.0
232.03171	0.5
233.04465	0.3
235.02295	0.7
237.00145	0.3
239.01787	5.3
241.01268	3.7
242.01881	0.3
243.02823	0.9
244.03529	0.2
245.00745	3.2
245.04309	0.4
246.01363	0.2
247.02342	14.7
248.02846	0.4
251.03394	0.3
253.05025	0.3
255.02858	0.7
257.00735	7.9
257.02954	0.5
258.01398	0.5
259.02338	35.9
260.02789	0.7
261.00488	0.3
261.03885	0.8
263.01782	2.5
265.05011	0.2
267.01190	1.2
269.00705	0.5
269.04324	0.3
271.02350	1.7
273.00247	2.4
273.03705	0.5
274.00958	0.4
275.01810	17.8
276.02545	4.0
277.03381	100.0
278.03772	1.4
281.04568	0.3
283.02179	0.6
285.00262	6.1
285.03671	0.6
286.00922	0.3
287.01770	1.7
289.03351	1.2
291.01331	1.4
297.03818	0.5
299.01776	0.6
300.99701	0.8
301.03400	1.0
302.00635	0.9
303.01285	80.4
304.01733	1.7
305.02942	0.7
309.03769	0.3
311.01715	0.6
311.05322	0.3
312.99814	0.3
313.03436	0.7
315.01306	1.0
317.02747	0.8
319.00806	0.7
319.04477	0.5
321.02347	4.8
325.03348	0.4
327.01337	0.6
328.99332	0.3
329.02908	0.8
331.00793	0.6
337.03168	0.3
341.02716	0.3
343.00555	0.3
345.02383	0.6
347.03922	0.7
359.03604	0.3
365.04752	0.8
367.04385	0.3
375.03317	0.5
387.03354	0.7
393.02676	0.3
401.04871	0.3
403.02896	1.0
411.03586	0.4
415.02795	0.5
419.06140	0.5
421.03983	0.3
424.44843	0.2
429.04260	2.1
431.02594	2.0
433.03778	0.3
447.05511	2.5
449.03378	3.8
458.95895	0.4
459.01849	4.5
467.04492	0.5
477.02945	17.9
478.03192	0.7
495.03561	0.6
513.04962	0.6
557.05109	0.4
575.06305	0.5
585.04950	0.6
603.06091	1.3
620.97943	0.4
621.07214	5.7
765.11072	0.3
941.08514	3.8
942.08313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.6
69.03083	0.4
69.03426	5.0
69.29988	4.1
71.01327	0.3
77.03956	0.4
81.03410	31.9
83.01326	0.4
85.02902	0.8
89.03893	0.5
91.05466	0.9
95.01324	3.4
97.02885	1.7
99.00809	5.0
99.04475	0.6
101.02318	0.4
103.05441	0.7
107.05020	0.4
109.02870	16.1
109.16578	0.3
111.04424	0.8
113.02327	0.4
117.01839	1.0
117.03365	0.7
119.04964	0.8
121.02823	0.5
123.00793	0.5
127.03870	2.0
129.03348	0.5
131.04929	0.6
137.02324	3.0
139.03894	1.2
141.01805	1.4
144.07997	0.4
145.02826	1.1
147.04402	1.4
149.02344	0.8
153.01791	0.5
157.02846	1.1
159.02852	0.4
159.04411	0.7
161.02328	0.9
162.67236	0.3
163.03934	2.2
163.60315	0.4
165.01823	5.6
165.03099	0.6
167.03386	2.3
169.01289	0.5
173.02403	1.7
175.03914	2.5
177.01833	1.7
177.03949	0.5
179.03397	0.7
181.01338	0.5
183.02866	0.9
185.02324	1.5
187.03868	4.6
189.01782	2.3
191.03377	4.5
193.01311	10.8
195.02888	1.2
201.01753	3.4
202.02492	0.4
203.03372	5.5
205.01401	0.7
207.02943	0.7
211.02284	0.8
213.01830	3.8
215.03372	4.1
217.01317	3.9
218.01926	0.6
219.02840	6.4
221.00783	37.2
229.01286	3.7
230.02042	0.6
231.02855	18.5
235.02274	0.8
239.01839	18.7
240.02393	0.4
241.01302	3.7
245.00816	6.4
246.01520	0.7
247.02367	7.2
247.04738	0.7
248.02957	0.6
257.00751	5.8
257.03134	0.4
258.01447	0.4
259.02353	30.9
260.03055	0.4
261.03986	0.5
263.01895	1.8
273.00323	4.5
273.03336	0.6
274.01019	0.7
275.01819	15.2
276.02670	3.2
277.03406	100.0
278.03717	1.3
281.03952	0.4
285.00327	4.0
287.01767	0.6
289.03339	1.0
291.01373	0.7
301.03351	0.8
302.00433	1.0
303.01321	48.4
304.01492	0.5
305.02823	1.0
313.03381	0.4
315.01190	0.6
321.02350	3.3
328.99295	0.8
331.00720	1.2
341.02756	0.5
348.89221	0.4
349.02026	0.6
411.03500	0.5
429.04391	1.6
431.02261	0.4
447.05560	1.9
449.03482	12.3
459.02008	0.5
467.04297	0.6
477.02963	29.9
478.03720	0.6
495.04117	4.5
516.04968	0.5
541.54303	0.4
603.05688	0.5
621.07410	3.5
941.09460	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	936.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.6
65.84721	1.4
67.05496	61.1
69.03418	4.0
69.07056	14.3
69.53180	4.8
69.53605	4.9
71.04968	4.8
73.02917	2.1
79.05482	47.5
81.03407	83.3
81.07046	59.3
83.04967	6.6
83.08600	25.3
85.02901	8.4
85.06525	2.7
91.03939	5.9
91.05466	33.0
93.07027	52.0
95.04958	29.4
95.08594	49.4
97.02872	5.5
97.06520	4.2
97.10143	7.9
99.08054	1.8
105.07012	28.0
107.04944	6.2
107.08574	28.8
109.06493	7.3
109.10139	23.4
111.04417	1.2
111.08042	5.9
115.05475	2.1
116.50420	1.1
117.07005	7.7
119.08557	23.3
121.06506	3.7
121.10133	23.4
122.73557	1.2
123.04417	3.0
123.08021	5.4
123.11698	8.3
125.09608	5.3
127.03908	2.6
127.86785	1.3
129.06966	11.6
131.08539	21.1
133.06480	5.1
133.10123	16.4
135.08057	2.2
135.11673	14.9
137.09537	2.2
137.13255	2.4
139.11125	1.1
142.07780	2.3
143.08560	2.5
145.04884	2.2
145.10101	12.0
147.04404	1.3
147.08034	4.7
147.11678	13.6
149.09596	8.8
149.13217	8.8
151.14850	1.5
153.01778	1.7
153.09148	1.2
155.08580	1.7
157.10072	10.5
159.08293	1.2
159.11632	6.9
161.13217	6.3
163.05911	2.8
163.11125	2.4
163.14801	3.8
164.99068	1.1
165.12747	2.0
171.11652	2.1
173.11871	1.8
173.13249	6.6
175.11177	9.1
175.12437	1.7
175.14917	1.6
177.16324	1.8
181.10020	1.2
183.11700	2.2
185.13240	3.6
187.14809	3.6
189.11232	2.6
189.12723	1.9
193.12204	23.0
201.16393	2.7
211.13211	1.5
227.12686	6.3
229.14244	1.2
233.22650	1.3
235.13268	2.9
243.21001	7.5
249.14874	2.7
259.13287	1.9
261.22083	22.8
267.15878	88.2
268.16031	1.5
273.14764	1.5
279.23178	1.5
285.21811	1.4
300.10019	1.3
301.14337	2.3
301.25208	9.5
309.17053	5.6
313.27341	6.7
317.24789	2.8
335.25754	100.0
337.27206	1.3
359.25870	1.8
417.31433	2.1
421.25967	3.0
435.27036	3.1
435.32513	5.4
436.28128	2.3
442.20126	1.2
449.28958	1.5
453.33521	8.2
454.28940	3.2
461.28513	1.4
471.34427	4.2
509.35886	2.1
527.37238	75.2
545.38306	73.1
559.39783	2.2
569.38116	9.6
587.40265	1.3
611.39178	1.6
623.38947	2.9
635.39087	4.4
653.40094	3.9
671.41156	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	935.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99782	0.2
69.03068	0.2
69.03423	3.2
70.77206	0.3
70.77526	0.1
70.79201	0.1
71.01321	0.2
71.04991	0.2
71.72050	0.1
72.05794	0.1
77.87455	0.1
79.01843	9.1
80.14340	0.1
81.03407	6.0
83.01339	0.2
84.08163	0.1
85.02885	0.3
87.00845	0.4
91.05476	0.2
95.01326	0.1
96.39678	0.1
97.02884	2.4
99.04436	0.3
101.02342	0.2
105.03388	0.2
107.01306	2.1
109.02869	3.6
113.71490	0.1
117.03381	0.2
123.00763	0.4
125.02338	5.1
127.03902	1.4
131.04875	0.2
133.02840	0.6
134.58514	0.1
135.04422	0.1
137.02391	0.2
143.03375	11.6
145.02850	0.2
147.04417	0.5
153.01810	100.0
153.02811	4.1
154.02179	0.8
154.03232	0.2
157.02910	0.2
161.02292	0.5
163.03889	1.3
165.01823	0.2
173.02274	0.5
175.03905	0.6
177.05406	0.2
179.03357	0.4
181.01318	0.2
185.02332	0.3
187.03841	0.8
189.01817	1.4
190.02579	0.2
191.03371	1.8
193.01317	0.4
193.04918	0.2
201.01840	1.2
203.03368	1.0
207.02905	1.3
213.01881	0.3
215.03278	0.7
217.01282	2.5
218.02090	0.3
219.02858	2.2
221.00790	0.5
221.04288	0.3
229.01189	0.8
230.01898	0.2
231.02846	2.8
235.02330	2.9
241.01239	0.5
245.00763	2.2
247.02365	2.5
257.00803	2.2
259.02350	4.5
260.03009	0.2
263.01874	1.1
273.00266	2.2
274.00937	0.3
275.01849	3.1
276.02658	1.2
277.03406	11.3
285.00302	1.9
287.01663	0.2
289.03433	0.3
291.01242	0.6
295.02454	0.2
300.99808	0.9
302.00470	0.4
303.01303	25.5
304.01620	0.3
305.02847	0.3
319.00754	1.2
321.02121	0.6
323.01773	0.3
328.99091	0.2
331.00760	0.2
337.01828	7.6
365.02615	0.2
379.00684	0.5
380.01013	0.3
381.01016	0.2
385.05557	0.2
407.00009	0.8
408.00702	0.7
409.00772	0.3
429.04443	0.8
445.03711	0.4
447.05569	0.2
453.00763	0.9
454.01059	0.9
455.01981	1.7
463.05038	2.2
481.06213	0.7
507.03860	0.2
599.06305	0.4
664.69507	0.1
765.05292	0.2
783.06714	3.9
800.04218	0.2
935.07764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	12.0
69.03418	7.2
69.07063	7.1
69.65955	5.0
71.01351	1.0
71.04992	1.4
73.02905	6.7
79.05486	9.3
81.03411	3.7
81.07049	11.5
83.04966	1.5
83.08614	3.6
85.02895	19.7
85.06542	1.0
91.03948	10.1
91.05476	7.0
93.07035	9.9
95.04975	1.1
95.08598	10.1
97.02884	17.9
97.06508	1.5
97.10150	2.2
99.04430	1.3
101.02361	2.5
105.07011	7.6
107.04942	1.4
107.08578	6.0
109.02888	1.2
109.06490	1.3
109.10134	4.3
115.03920	1.4
115.05368	0.9
117.06996	3.4
119.08569	7.6
121.10146	3.5
125.09639	0.8
127.03898	5.0
128.06206	1.4
129.06990	6.0
131.08571	5.7
133.10123	4.9
135.11667	1.5
137.13269	1.1
141.06981	2.7
142.07788	2.0
143.08540	6.7
145.04942	3.7
145.10098	6.7
147.08040	0.8
147.11656	3.2
149.13280	0.8
153.06992	0.9
154.07690	0.9
155.08537	6.0
156.09421	0.8
157.10112	5.9
159.11707	4.3
161.13251	2.1
163.06032	0.9
165.07010	0.9
167.08511	2.1
168.09338	1.0
169.10098	8.1
170.10907	0.7
171.11658	5.2
172.84579	0.8
173.13239	2.3
175.14737	0.7
178.07823	0.8
179.08530	1.8
181.10104	3.8
182.10973	0.7
183.11670	7.8
185.13235	4.8
187.14828	2.1
193.10147	1.4
195.11662	4.4
197.13280	5.3
199.14781	3.7
201.16325	0.8
201.25020	0.7
205.10104	0.8
207.11719	1.9
208.12451	0.7
209.13234	4.6
209.19348	0.7
211.14830	2.8
213.16380	2.2
213.71307	0.6
215.40813	0.7
221.13255	1.7
223.14795	3.5
225.16446	3.2
227.18105	1.1
233.13312	1.0
235.14912	1.3
237.16412	2.3
239.17949	1.3
241.19615	0.8
251.17833	1.2
253.19601	0.8
263.17853	0.8
277.19397	0.7
307.20490	0.7
321.22137	1.3
339.26733	0.8
349.25385	0.9
351.26645	1.0
447.32410	1.3
512.43817	0.8
517.40161	4.2
525.35602	0.8
535.41504	2.1
539.37311	1.6
541.39447	1.4
591.43707	4.5
607.43463	3.3
609.45068	100.0
610.45123	3.6
621.44855	1.6
633.45435	0.9
651.45569	2.1
699.46460	1.0
712.02875	0.7
717.47290	1.4
725.01794	0.7
735.47992	1.8
753.48914	3.6
771.50427	24.5
771.64740	1.1
793.82068	0.8
908.63867	0.8
933.55652	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	933.062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99778	1.3
69.03424	22.6
71.01342	0.9
71.04977	2.0
71.13173	1.2
77.03922	0.6
79.01843	0.8
79.05489	1.1
81.03411	60.5
83.01331	5.7
84.08160	0.7
85.02898	3.9
87.76759	0.5
89.03900	1.2
91.05475	0.9
95.01322	1.2
95.04921	0.6
97.02875	3.3
99.04446	2.4
105.03371	1.6
107.04947	1.6
109.02870	33.1
111.00798	1.7
111.04430	0.7
113.02366	1.5
115.05418	0.8
117.03399	1.5
118.79620	0.5
119.04953	0.7
121.88748	0.5
123.00765	1.0
123.04400	0.9
125.02337	0.9
127.03905	8.6
133.02864	3.3
135.04411	1.6
137.02333	1.3
139.00267	4.7
145.02814	1.7
147.04381	3.9
149.02345	0.9
153.01836	6.4
157.01349	2.2
157.02728	0.6
157.82307	0.5
159.04408	0.7
161.02327	4.7
162.03087	0.8
163.03889	11.6
163.05194	0.7
165.01852	1.9
169.01315	19.1
171.04425	1.0
173.02313	3.4
175.03867	2.5
175.61607	0.6
177.01791	1.0
179.03415	2.8
183.00824	0.5
185.00832	4.7
185.02307	0.9
185.06009	0.6
186.01604	1.7
187.03970	0.7
189.01837	11.6
190.02641	1.6
191.03366	10.2
193.01308	1.7
195.02820	0.7
199.03847	0.7
201.01819	5.6
202.02658	0.7
203.03366	3.8
204.04118	0.5
205.01393	0.8
205.04970	0.6
207.02876	8.8
209.00810	1.0
213.01941	0.9
213.05496	1.8
215.03424	1.7
217.01309	17.7
218.02010	3.0
219.02869	13.9
221.00867	3.3
221.04295	0.6
223.03932	1.5
229.01361	3.8
229.04909	0.7
230.01898	0.7
231.02859	6.7
232.03662	1.9
235.02368	16.7
236.02791	0.5
239.01578	0.8
239.03627	0.9
241.01337	1.0
241.05017	2.4
243.02863	1.8
245.00804	16.4
246.01253	0.5
247.02362	11.4
251.03481	1.1
253.04929	0.9
255.02846	0.8
257.00803	5.7
257.03372	0.7
257.04449	0.6
258.01517	0.9
259.02347	5.4
260.03131	7.5
261.03903	4.1
263.01831	7.6
267.02832	1.8
269.01614	0.7
269.04419	4.5
271.02435	0.9
271.99432	0.8
273.00308	12.7
273.03372	0.6
275.01816	12.9
276.02371	0.9
277.03595	1.3
279.02884	2.2
281.04382	0.9
285.00223	4.2
285.03180	0.8
286.00952	4.3
287.01910	11.3
287.05185	1.5
291.01230	3.4
295.02405	2.0
297.03885	8.2
299.05420	0.8
300.99774	5.0
301.03259	1.0
302.00494	1.4
303.01379	2.5
305.00446	0.8
307.02368	2.2
309.04068	0.6
311.01746	0.6
312.99872	1.3
313.03461	2.0
315.04938	0.8
319.00833	9.4
319.04333	0.9
323.01855	4.7
325.03381	6.0
327.01404	1.2
327.04785	0.6
328.99139	1.3
329.02988	1.3
335.01718	1.9
337.01859	47.1
338.02026	1.0
341.02823	1.4
343.04572	2.7
351.01242	2.0
353.02914	6.0
357.02429	1.7
363.01407	2.9
365.02896	1.2
369.02313	4.9
371.03976	6.5
379.00638	3.0
381.02374	20.1
383.03949	2.0
391.00690	1.4
397.01840	2.9
399.03494	4.2
407.00461	5.0
409.01889	9.0
410.02496	1.2
417.41306	0.6
425.01089	1.4
426.02029	1.6
427.02939	100.0
428.03339	2.2
428.08600	0.6
434.99738	3.0
435.05057	0.6
439.03220	0.7
445.04144	2.4
453.00861	61.2
454.01294	1.5
463.05002	12.1
464.05557	0.6
471.01920	8.8
481.05887	1.0
505.04105	1.0
507.05432	0.7
533.03693	0.6
542.91809	0.6
561.02710	1.3
579.03711	1.7
597.04944	3.8
933.06311	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	925.512
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29162	0.6
66.30744	0.5
67.05507	3.2
69.03412	3.2
69.07067	0.6
69.49461	0.5
71.01328	0.6
71.04986	1.5
71.59792	0.6
71.60184	0.7
73.02910	3.6
77.06347	0.6
79.05492	2.3
81.03416	1.5
81.07055	3.1
85.02895	6.6
91.03957	3.4
91.05448	1.2
93.07057	2.6
95.08586	1.6
97.02881	5.1
99.04484	0.7
101.02386	1.9
107.08567	1.4
109.10153	0.9
115.03883	0.7
127.03912	1.4
133.10152	1.3
144.98752	0.6
149.13268	0.9
151.11238	0.9
175.42947	0.5
187.13274	0.7
203.05429	0.7
225.47699	0.5
240.96510	0.6
243.08492	2.1
307.22787	0.6
323.18475	0.8
335.25903	0.7
335.74298	0.6
347.09589	2.1
365.10779	0.9
405.13818	4.0
485.23499	6.4
519.29272	3.4
647.28973	5.9
665.94989	0.6
681.34119	2.7
741.13086	0.7
763.45532	1.5
925.51172	100.0
926.51111	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	925.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.5
69.03429	2.8
69.07069	0.5
71.01351	0.6
71.04992	1.2
72.34273	0.4
73.02913	2.9
79.05503	1.6
81.03437	1.8
81.07048	4.0
83.05010	0.4
83.08616	0.5
85.02900	5.9
87.04492	0.4
88.00732	0.3
91.03960	3.1
91.05474	1.9
93.07027	2.8
95.08641	1.4
97.02881	4.6
97.06535	0.6
99.04477	0.8
101.02376	1.9
103.03924	0.4
105.07041	0.8
107.08631	1.2
109.10173	0.7
111.08084	0.4
119.08643	0.5
121.10173	1.1
123.11720	0.5
127.03947	1.3
131.08615	0.5
133.10187	1.1
149.13298	0.4
185.04329	0.9
243.08479	2.0
255.44591	0.4
267.15936	1.0
308.34088	0.4
347.09503	2.0
365.10623	1.1
376.30920	0.4
405.13651	5.3
441.21088	0.5
485.23633	4.2
519.29327	5.5
647.28754	3.5
681.34521	6.0
763.47180	0.6
925.51251	100.0
926.51703	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	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.4
67.05502	63.7
69.03436	2.9
69.07069	11.6
71.04990	21.3
73.02901	2.9
73.06533	0.7
76.33560	0.6
79.05487	35.4
81.03403	2.1
81.07051	98.0
83.04975	5.0
83.08607	8.5
85.02900	11.0
85.06541	7.5
88.64890	0.5
91.03957	6.6
91.05475	31.1
92.05801	0.9
93.07037	42.7
95.04954	4.7
95.08602	31.0
97.02888	6.4
97.06519	5.3
97.10173	2.4
99.04436	0.7
99.08110	1.2
103.05493	0.6
105.04512	0.6
105.07024	17.4
107.07866	1.2
107.08588	21.5
109.02908	1.0
109.06511	2.3
109.10155	14.2
109.10902	1.1
111.08093	2.5
115.05390	0.6
117.06993	5.9
119.08574	10.1
121.10140	15.5
123.08054	1.1
123.11693	14.1
125.09650	1.1
127.03915	2.6
129.07021	1.3
131.08563	10.7
133.10124	20.6
135.11684	12.0
135.67442	0.6
137.13228	0.7
141.07053	0.7
143.08562	1.6
145.04926	2.8
145.10092	5.8
147.11670	4.8
149.09512	0.9
149.13257	6.9
151.11165	7.9
153.12747	1.0
153.35329	0.6
155.08568	0.9
157.10173	1.3
159.11684	6.9
161.13248	3.4
163.06050	2.6
163.14903	1.0
165.12761	0.6
169.10161	0.7
169.12210	1.1
171.11722	1.1
173.04608	0.9
173.13196	3.1
175.10983	0.6
175.14885	1.6
177.12755	2.3
183.13826	2.5
185.13319	1.7
187.13319	5.0
187.14873	1.6
195.13828	1.5
199.14850	0.9
201.14792	0.7
225.14743	0.6
227.16481	3.5
230.78540	0.6
239.16377	0.8
243.21127	0.9
253.18016	1.3
257.17557	2.0
259.20761	1.0
261.22211	2.4
269.17419	5.8
299.23633	0.8
301.20068	20.2
315.23163	1.0
317.24918	1.0
333.24414	0.8
335.25781	17.8
361.27435	0.8
411.32504	1.1
419.33408	1.0
429.33746	1.2
437.34177	2.7
464.11069	0.7
485.36115	5.0
503.37305	80.9
504.37589	4.4
511.37842	2.5
517.38696	3.9
529.38879	28.8
530.39362	0.9
547.40033	0.9
561.41473	100.0
562.41925	4.7
673.42432	0.8
705.45477	0.8
826.20074	0.6
852.69684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	14.5
69.03429	2.0
69.07059	6.5
71.08633	20.3
71.59493	1.3
79.05485	7.0
81.03416	55.2
81.07053	14.5
83.04971	2.2
83.08614	18.5
85.02887	5.4
85.10181	11.3
90.97540	1.1
91.03948	4.2
91.05487	8.5
93.07021	3.6
95.04964	16.2
95.08606	14.9
97.02872	3.4
97.10177	3.9
103.07522	1.6
105.07036	8.2
107.04954	5.1
107.08586	2.2
109.06539	2.4
109.10177	6.5
111.04398	2.0
111.08093	4.7
111.11696	1.3
117.07053	1.7
119.08566	7.2
119.72831	1.1
121.10140	3.9
123.04414	1.3
123.08072	1.6
123.11707	2.7
125.09699	1.5
129.06967	5.0
131.08562	4.1
133.06534	2.6
133.10120	1.9
142.07816	1.5
145.04898	1.6
147.08028	1.9
147.11693	5.4
149.09668	3.2
157.10147	7.7
163.05960	2.8
175.11153	6.6
193.12227	22.1
215.32507	1.1
235.13326	1.5
239.23692	2.4
249.14830	1.6
257.24857	1.3
267.15903	100.0
268.16174	1.5
273.14847	1.3
301.14389	1.7
309.16949	3.8
313.27350	96.8
397.37344	1.1
402.27176	1.3
505.38849	82.9
506.39084	3.2
542.34070	1.2
547.40466	5.5
601.40778	2.1
637.27997	1.3
638.64081	1.3
650.27301	1.3
737.31525	1.2
878.60907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05496	50.3
69.03401	1.9
69.07059	8.3
71.04986	14.6
73.02908	2.4
76.08373	0.4
77.03895	0.5
79.05482	27.7
81.03407	1.9
81.07046	73.1
83.04964	3.3
83.08607	6.1
85.02895	8.0
85.06527	5.9
87.04414	0.4
91.03954	4.4
91.04884	0.6
91.05470	21.2
93.07030	30.1
95.04958	4.0
95.08593	24.0
96.04501	0.5
96.26260	0.4
97.02879	5.5
97.06525	2.7
97.10152	2.1
99.04448	0.7
99.08073	1.1
103.03945	0.4
105.07016	13.2
107.08579	19.0
109.02876	0.9
109.06504	1.6
109.10145	10.2
109.10887	0.5
111.08080	1.2
115.04027	0.4
117.07001	4.4
119.08566	6.2
121.10130	12.4
123.08073	0.5
123.10800	0.8
123.11693	11.1
125.09609	1.0
127.03905	2.0
129.06973	0.4
131.08546	8.1
133.10117	14.9
135.08089	0.7
135.11676	8.4
137.09703	0.6
139.11195	0.5
143.08551	0.6
145.04953	1.4
145.10094	4.0
147.11662	3.5
149.13234	5.3
151.11172	6.2
153.12724	0.7
157.10062	0.9
159.11694	4.9
161.13232	2.3
163.06003	1.6
163.14745	1.0
169.12260	0.6
171.11668	0.7
173.13245	2.2
175.14819	0.8
177.12746	1.2
179.14311	0.6
183.13747	2.2
185.13191	0.5
187.13290	3.1
187.14799	0.7
195.13791	0.9
201.14835	0.4
201.16444	0.7
211.68098	0.4
215.65498	0.4
227.16438	0.9
243.15948	1.4
243.20984	0.6
257.17502	1.1
259.20657	0.6
261.22171	2.4
269.17444	5.2
271.20819	0.5
283.18958	0.4
301.20038	10.9
317.24707	0.7
333.24136	0.5
335.25763	22.2
336.25992	0.7
361.27557	0.4
393.31427	0.6
411.32520	1.1
437.34024	0.6
445.24551	0.6
485.36221	2.2
503.37241	70.1
504.37769	3.1
511.37863	0.7
517.38782	3.8
529.38800	15.9
530.39783	0.5
531.40039	0.6
547.40039	0.8
561.41431	100.0
562.41949	4.4
647.40729	0.7
673.42804	0.8
705.45142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.8
69.03427	2.6
69.07051	1.0
70.84297	0.8
71.01339	0.4
71.04997	0.6
73.02906	4.3
79.05482	3.4
81.03410	1.7
81.07050	4.7
82.07380	0.5
82.47523	0.3
83.04963	0.4
83.08613	0.7
84.87792	0.3
85.02896	6.1
85.73775	0.3
86.09663	0.3
91.03952	3.1
91.05469	2.2
92.05817	0.3
93.07031	4.0
95.04967	0.7
95.08600	3.3
97.02883	5.4
97.06528	0.3
99.04456	1.1
101.02383	1.7
103.03931	0.3
105.07005	1.5
107.04933	0.3
107.08586	2.2
109.02884	0.8
109.06486	0.3
109.10169	1.2
115.03921	0.6
119.08591	1.1
121.06519	1.1
121.10118	1.5
123.11713	0.6
127.03929	1.7
131.08591	0.7
133.10144	0.9
135.11642	1.8
145.04929	0.6
145.10092	1.6
149.13272	0.4
159.11684	0.4
163.11139	1.6
169.02402	0.3
173.13210	0.3
175.74933	0.3
185.04213	0.8
203.05278	0.9
227.12720	1.3
243.08385	2.2
243.16023	0.5
249.10970	7.2
272.20029	0.5
287.18320	0.6
305.13434	1.3
335.25977	1.1
347.09552	2.0
363.09088	0.4
365.10516	0.8
405.13651	5.9
467.18896	5.9
503.37256	0.9
504.37729	0.9
519.29321	6.1
547.40033	0.4
548.40051	0.6
611.14453	0.3
624.20319	0.3
629.23877	3.3
681.34473	7.8
741.50323	0.3
745.41638	2.0
745.53705	0.4
907.46381	100.0
908.46716	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	907.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03425	3.0
69.39468	3.4
69.39872	0.8
71.04966	0.6
73.02924	2.1
79.05478	2.6
81.03423	1.5
81.07053	2.7
85.02896	4.9
87.29974	0.4
91.03971	2.5
91.05493	1.7
93.07043	3.6
95.04971	1.0
95.08604	2.6
97.02899	4.7
97.06509	0.7
99.04445	0.8
101.02405	1.9
104.60675	0.5
104.93015	0.5
105.07058	1.4
107.08613	1.4
109.02888	0.8
109.10152	0.9
117.07016	0.6
121.06537	0.7
121.10157	1.3
127.03945	1.5
135.11696	3.2
145.10162	1.7
163.11162	3.5
181.12285	0.8
185.04259	0.9
220.95470	0.5
227.12828	2.9
243.08423	2.2
249.10948	5.4
249.12993	0.5
272.20233	0.7
301.20346	0.6
305.13690	2.5
336.26083	0.7
347.09686	1.7
365.10657	0.9
403.79742	0.5
405.13620	4.9
428.69199	0.5
467.18814	9.7
479.94604	0.5
511.89044	0.6
519.29523	5.4
629.24054	6.1
681.34509	3.5
745.41376	1.2
907.46436	100.0
908.47278	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	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.8
67.05499	37.9
69.03430	4.1
69.07063	10.8
70.22490	3.1
71.04985	2.9
73.02900	2.1
79.05486	31.9
81.03410	36.4
81.07047	44.7
83.04970	8.5
83.08608	16.2
85.02499	0.5
85.02895	22.4
85.06535	1.8
91.03949	6.6
91.05470	27.4
92.49045	0.7
93.07034	31.8
95.04958	18.0
95.08595	27.7
95.09229	0.8
97.02862	7.8
97.06514	3.6
97.10173	3.3
99.04468	1.1
99.08092	1.5
105.04533	0.9
105.07018	20.4
107.04935	4.4
107.08585	16.8
109.06496	3.1
109.10145	11.4
111.04417	1.1
111.08070	7.1
113.05984	1.9
115.05488	0.8
117.07025	3.9
119.04881	1.0
119.08566	20.1
121.06485	1.3
121.10125	17.9
123.08058	2.1
123.11703	4.4
125.09622	2.0
127.03919	2.4
128.06216	0.7
129.06995	5.9
131.08563	11.8
133.06470	2.0
133.10126	11.8
135.11674	8.5
136.77313	0.6
137.09656	1.8
137.13248	1.4
142.07790	1.8
145.04967	1.7
145.10097	6.1
147.08034	1.8
147.11662	12.5
149.09616	4.1
149.13229	4.0
151.11217	0.9
157.10104	9.2
159.11658	3.8
161.13303	3.3
163.06042	1.8
163.11145	0.8
163.14792	1.4
165.12790	3.1
171.11644	1.1
173.13245	2.2
175.11159	8.3
176.24763	0.7
184.07391	1.0
187.14751	1.6
193.12215	24.6
211.13278	31.8
229.14206	0.8
233.18974	0.8
243.21129	2.7
259.20648	1.2
261.22064	7.0
267.15884	11.4
285.16940	43.1
317.24716	2.7
327.21713	0.7
333.24423	0.7
335.25760	63.4
435.32507	1.6
453.33609	2.3
527.29938	1.2
527.37366	12.5
545.38318	100.0
546.38733	2.7
563.39148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.6
67.05497	39.7
69.03424	3.9
69.07066	11.6
71.04986	4.0
71.08636	1.4
71.59376	1.7
73.02927	2.5
79.05483	28.7
79.41408	1.1
80.13162	1.1
81.03410	41.2
81.07048	43.9
83.04979	11.7
83.08607	17.0
85.02413	2.4
85.02898	24.8
85.06519	1.9
87.04472	1.3
91.03960	5.7
91.05466	31.6
91.05997	2.0
93.07032	34.8
95.04961	20.4
95.08595	27.4
95.09161	2.4
97.02878	6.0
97.06516	4.1
97.10155	3.5
99.08072	1.8
105.07021	21.0
107.04953	6.2
107.08579	16.1
109.06487	2.7
109.10123	12.3
109.10709	1.2
111.04454	1.8
111.08055	7.8
113.05991	2.0
117.07036	4.2
119.08569	18.1
121.06478	2.1
121.10123	17.3
123.08061	2.4
123.11700	3.8
125.09646	2.0
127.03890	1.6
129.06984	9.2
131.08565	13.7
133.10117	11.6
135.11685	6.1
137.13257	1.7
142.07771	1.9
143.08475	1.5
145.04996	2.8
145.10110	7.1
147.08047	2.6
147.11664	13.4
149.09590	6.9
149.13289	2.1
151.11143	1.6
157.10091	11.4
159.11574	2.8
161.13232	2.8
163.06027	3.2
163.11212	2.2
163.14777	1.8
165.12759	2.7
165.40491	1.2
171.11581	1.4
173.13263	1.3
175.11157	11.6
175.14804	1.4
184.07368	4.1
187.14792	1.9
193.12236	30.2
211.13268	53.9
227.12717	1.3
243.21077	3.0
259.20575	1.5
260.17850	1.2
261.22162	8.0
267.15863	16.0
270.28119	1.4
285.16931	70.5
316.12421	1.2
317.24915	2.7
335.25766	67.5
336.26105	1.9
382.97375	1.4
435.32364	1.3
453.33707	2.2
509.35120	1.3
527.37421	16.2
528.93555	1.4
545.38312	100.0
546.39203	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	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61525	0.4
65.03914	1.2
67.05497	31.6
69.03406	1.8
69.06726	0.5
69.07057	8.4
69.73759	3.4
71.04955	1.6
73.02885	1.6
77.51723	0.7
78.52543	0.5
79.00364	0.5
79.05482	27.6
80.09440	0.4
81.03379	1.9
81.07046	33.3
83.04963	3.0
83.08605	8.6
85.02884	3.3
85.06506	1.0
88.46699	0.6
91.03909	2.3
91.05463	11.9
93.07032	39.3
94.07336	0.7
95.04967	6.1
95.08595	45.8
96.08947	0.7
97.02889	4.1
97.06538	3.0
97.10117	1.6
99.04407	2.2
103.05461	1.2
105.04446	0.8
105.07018	10.0
105.07706	0.4
107.04938	7.6
107.08580	28.1
109.02839	0.6
109.06477	1.8
109.10147	9.0
111.04390	1.3
111.08076	0.8
113.05959	0.6
117.07003	7.9
119.08566	10.8
121.06503	4.5
121.10130	18.3
121.11010	1.0
123.08022	0.7
123.11676	2.3
125.05950	2.3
125.09600	0.6
129.06998	0.7
130.07733	1.4
131.08543	3.7
133.10127	6.3
135.08002	2.2
135.11678	45.5
136.27696	0.5
137.09561	0.7
137.13187	1.3
139.07518	1.3
145.04921	0.6
145.10097	24.9
147.11722	2.7
149.13255	3.2
153.12711	0.9
155.08626	0.5
159.11700	2.8
161.13231	1.7
163.11159	61.2
163.14827	1.4
164.11514	0.8
173.09578	1.0
173.13220	2.0
181.12207	9.0
183.02242	0.5
187.14722	1.2
201.16350	0.8
209.11624	1.0
213.56953	0.6
227.12753	70.3
228.13086	0.8
243.21072	2.3
259.92093	0.5
261.22113	7.8
283.15359	100.0
284.15536	1.2
317.24625	3.2
335.25757	84.1
336.26196	2.6
428.35623	0.6
469.33255	0.6
529.38983	0.6
543.36743	91.5
544.37067	3.3
561.37836	1.2
687.40784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68193	0.4
64.85477	0.3
65.03910	1.4
67.05498	29.6
69.03386	1.3
69.07061	9.7
71.05006	1.6
73.02879	1.5
77.03901	0.7
78.16024	0.3
79.05483	26.7
81.03385	1.5
81.07047	33.1
83.04969	2.8
83.08612	6.6
83.58257	0.3
85.02902	2.3
85.06522	0.6
91.03903	1.5
91.04896	0.5
91.05468	11.3
93.07032	38.6
94.07323	0.5
95.04451	0.5
95.04964	5.8
95.08596	41.6
96.08929	0.5
96.96159	0.4
97.02879	3.2
97.06509	2.9
97.10123	1.4
99.04453	2.5
99.08047	0.6
99.84306	0.3
103.05420	0.6
105.06380	0.6
105.07019	9.4
107.04302	0.4
107.04949	4.3
107.08580	24.7
108.08923	0.6
109.06502	1.7
109.09470	0.5
109.10148	8.8
111.04395	0.6
111.08033	1.2
111.39927	0.4
115.05433	0.4
117.07001	7.1
119.08562	9.9
119.88707	0.4
121.06488	3.2
121.10133	15.5
123.08042	0.8
123.11681	2.4
125.05946	1.3
125.06801	0.4
127.03925	0.5
129.06987	0.5
130.07698	1.1
131.08525	4.1
133.10112	5.0
135.08008	1.5
135.11674	35.9
137.09546	0.6
137.13208	0.6
138.26128	0.3
139.07506	1.3
143.08510	0.8
145.04922	0.7
145.10103	21.7
147.11673	2.4
149.09578	0.6
149.13210	2.9
151.14807	0.3
153.12666	0.4
157.10234	0.4
159.11659	2.1
161.13200	1.3
163.11165	39.0
163.14780	1.1
164.11548	0.7
171.11510	0.3
173.09573	0.6
173.13210	1.2
175.14758	0.6
177.12700	0.3
181.12201	6.4
182.22603	0.3
187.14714	0.5
201.16362	0.4
209.11818	1.0
211.11227	0.4
227.12755	46.7
228.13303	0.5
229.69002	0.4
232.28664	0.3
243.21072	1.9
261.22119	8.0
283.15363	51.7
284.15793	0.7
299.23691	0.4
311.47565	0.4
317.24652	1.9
335.25754	99.7
336.26068	2.5
469.33191	0.4
529.38367	0.4
543.36755	100.0
544.37189	3.5
561.37805	0.7
687.41370	0.5
806.25012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05030	2.5
69.04534	1.0
70.06588	37.5
71.59421	0.4
74.06075	2.9
77.03873	0.3
79.05473	0.4
81.03397	0.5
81.04533	4.7
82.02916	0.5
82.05309	5.5
82.06570	0.4
82.14594	0.3
83.06100	10.1
83.65062	0.2
85.02886	0.4
85.04012	0.7
86.06043	0.3
91.05473	6.6
93.04518	7.6
93.07009	0.3
94.05322	0.5
94.71142	0.3
95.06086	16.4
99.05586	0.7
103.05442	1.1
104.04994	0.5
105.03357	0.4
105.06990	0.7
106.06541	1.2
107.04958	3.0
108.05573	0.4
109.02841	0.4
109.06364	0.7
109.07598	1.5
110.07156	100.0
111.05563	1.3
111.07478	0.7
114.05491	0.7
118.06538	8.7
119.04919	1.0
119.06055	0.7
119.07359	0.3
120.05614	0.4
120.08103	5.1
121.03996	2.3
121.06386	0.4
122.07153	0.6
123.04475	0.8
123.05550	2.1
125.06261	0.2
125.07094	1.7
126.09121	0.3
129.06914	0.5
129.13855	0.5
130.06451	0.5
131.04932	0.4
132.04459	1.1
132.08115	0.5
133.06393	0.4
134.06012	8.3
136.05107	0.7
136.07584	3.6
136.08675	27.6
138.06596	4.9
144.08051	0.5
146.06029	3.3
146.07080	0.5
146.09616	0.6
147.04390	0.9
147.05495	0.6
147.07811	0.4
148.07512	1.1
148.08727	0.6
151.08669	3.8
153.01801	1.0
153.06624	0.9
153.10239	1.7
156.08054	1.2
158.05981	0.4
160.03975	0.5
162.05496	7.5
162.09108	1.9
163.03914	0.6
163.09824	0.5
164.04585	0.5
164.08180	7.0
165.05519	1.5
166.06136	3.2
169.09738	1.4
171.07706	0.7
171.09157	0.5
171.11264	4.1
172.07651	0.4
173.07115	0.9
174.09082	0.7
175.03912	0.3
175.08632	0.6
175.09975	0.4
178.08635	0.7
179.08124	2.6
179.09410	0.3
181.10846	24.3
182.08162	1.9
188.03535	0.6
189.06665	0.6
189.10199	0.4
191.09274	3.2
192.07545	2.9
197.09209	3.3
198.10226	2.4
199.08720	0.9
199.10815	2.9
200.07156	0.3
201.10338	0.4
202.08641	0.3
203.07994	0.5
204.10246	0.4
207.07799	0.9
209.10323	37.0
210.10329	0.5
214.09714	1.7
216.11357	0.9
217.09663	0.6
219.08220	0.5
220.09860	0.3
220.11935	0.6
221.09610	0.4
222.09154	1.0
223.07498	0.4
224.10683	1.0
225.08740	1.2
226.09807	2.7
226.12090	0.6
228.11343	1.1
230.12753	0.4
231.11255	1.1
232.09767	0.7
236.10645	2.9
237.11543	0.4
238.09819	0.5
238.12215	0.6
240.11334	0.4
242.09323	0.3
245.09149	0.5
246.08995	0.4
248.11414	3.8
249.08760	0.9
251.11964	0.4
252.10274	0.4
253.13431	0.3
254.09314	2.5
255.10020	1.9
256.10901	1.6
259.10745	2.8
259.14438	2.5
262.08649	0.7
264.10110	2.7
264.12140	0.3
265.11365	0.6
269.14020	0.4
270.11301	0.6
273.08749	0.7
275.13925	2.1
279.11246	3.0
280.15677	0.4
281.13000	0.6
282.11200	0.5
283.12885	1.8
285.13431	0.3
291.12097	0.3
293.11322	0.7
297.10040	0.3
297.13272	0.4
298.23444	0.3
298.26688	0.3
307.10767	5.7
308.15024	3.1
309.13562	0.5
310.16766	1.2
319.14438	0.5
321.14600	0.3
332.13986	0.5
333.14789	0.7
336.14502	32.8
337.14972	0.6
347.16104	0.6
353.12399	1.2
354.15588	12.2
362.13309	0.4
362.17206	0.8
365.17325	0.3
371.15955	1.1
378.14462	1.1
380.18134	7.3
380.22861	0.5
404.16144	1.2
436.17139	0.4
453.20428	0.7
458.18155	0.4
468.21402	1.0
471.21698	0.4
484.20718	3.2
489.22464	2.9
497.19205	2.6
498.18146	1.0
515.20367	12.6
668.26648	0.6
686.28082	6.0
733.33850	0.4
754.33197	0.8
763.32501	0.5
781.33545	0.4
788.33716	0.4
795.34271	0.6
849.35229	2.2
850.37964	0.5
862.36487	0.3
866.38025	0.5
876.36755	2.3
894.37750	49.2
895.37860	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02361	0.7
67.50743	0.5
69.03402	0.6
69.61444	2.2
69.61876	1.4
70.06583	2.5
72.08118	0.7
72.35616	0.5
73.12677	0.5
78.04688	0.8
79.05525	0.5
79.27068	0.5
81.03411	1.0
81.04535	1.1
84.08134	5.6
85.02864	0.6
89.03400	0.8
89.03906	10.2
91.05447	2.2
93.33248	0.5
96.38132	0.5
97.02896	0.5
98.20811	0.8
109.02825	0.6
109.03980	2.0
110.07108	1.5
110.09626	0.7
112.10430	0.6
112.11234	13.4
117.03367	26.3
119.04938	3.1
123.63264	0.5
124.11861	0.5
129.13863	16.4
134.03601	1.5
134.06004	0.6
135.04384	2.1
137.03439	0.5
144.33383	0.5
145.02827	72.0
146.03156	0.6
147.04402	5.8
149.05974	8.0
153.01805	3.7
154.02054	0.6
155.11772	3.7
162.05482	0.8
163.03894	1.9
175.03877	2.7
177.05450	100.0
178.05751	1.7
178.07265	0.5
180.07608	1.3
181.10883	0.6
186.05458	1.4
204.10281	0.8
207.06535	3.0
208.07069	0.6
218.10435	1.1
219.09035	0.7
233.12804	6.6
234.11223	55.6
248.12793	0.6
264.12289	1.3
305.18570	16.2
379.27057	0.8
467.23914	2.3
514.16754	0.8
537.30804	1.8
555.31976	3.3
652.77478	0.6
675.10449	0.5
686.12659	0.7
699.36230	1.3
717.36804	5.3
731.36401	22.2
876.38257	0.9
893.41705	61.5
894.41034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	38.2
69.07067	12.1
70.85084	3.2
71.04966	3.3
73.02903	1.6
76.42960	1.1
77.16134	1.1
79.05061	1.4
79.05484	21.7
81.07044	40.7
83.04960	1.8
83.08618	5.0
85.02897	5.8
91.03968	3.0
91.05465	12.7
93.07030	34.1
95.04960	4.8
95.08599	19.1
97.02869	2.7
97.06522	4.4
97.10165	2.3
105.07001	6.3
107.08589	20.7
109.10141	7.5
111.08095	2.8
111.11684	1.6
113.09626	1.2
117.07021	5.7
119.08551	4.9
121.10133	13.2
123.11694	3.0
127.03911	1.7
129.06992	1.3
131.08583	6.5
133.10107	6.2
135.11685	6.5
145.10118	1.7
147.11694	2.4
149.13254	14.8
159.11642	6.8
163.05986	1.5
171.11548	1.4
173.13277	2.1
177.12677	2.1
195.13777	3.8
261.22128	8.4
267.15851	1.3
269.17441	38.9
335.25760	37.0
411.35739	1.2
437.34457	1.6
468.51981	1.3
519.99957	1.3
529.38831	100.0
530.39026	3.1
547.39886	1.9
621.24115	1.3
763.45715	1.4
831.49817	1.4
888.50049	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	888.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.3
67.05500	50.6
69.03423	1.5
69.07066	15.7
71.04977	2.7
73.02911	2.4
73.21918	0.9
74.79485	1.1
75.47102	1.0
79.05491	28.7
81.07050	61.8
83.04965	4.6
83.08604	10.4
85.02908	8.4
85.06525	2.0
89.58704	1.3
91.03967	5.8
91.05476	18.3
93.07040	48.2
95.04952	6.0
95.08603	26.8
97.02878	3.5
97.06521	6.0
97.10154	2.9
98.20612	1.1
99.04393	1.2
99.08084	2.1
105.07030	7.8
107.08588	28.5
109.06514	2.1
109.10143	9.3
111.08066	4.5
113.09583	1.4
117.06995	5.7
119.08588	6.1
121.10133	20.3
123.11658	3.5
127.03915	1.3
131.08594	9.6
133.10124	8.7
135.11694	10.9
139.11179	1.4
145.10133	3.7
147.11653	5.6
149.09579	1.7
149.13268	24.1
159.11697	12.0
161.13242	1.8
161.79092	1.4
163.05936	3.0
163.14813	2.0
173.13268	2.9
177.12752	4.1
188.70543	1.2
195.13820	9.5
242.43715	1.3
243.21042	3.9
261.22107	8.1
267.15976	2.8
269.17459	100.0
270.17737	1.3
317.24777	1.8
335.25778	49.8
455.35489	1.9
523.08221	1.3
529.38879	97.8
530.38837	3.1
547.39783	4.3
583.99298	1.5
597.99084	1.2
629.58978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98244	34.8
64.31153	8.9
70.25588	32.6
89.15734	9.2
114.28705	9.2
120.82786	8.5
158.96332	51.6
200.95575	17.5
200.97414	98.3
203.05235	8.7
212.49472	7.9
218.97185	9.5
252.09479	8.8
260.98221	17.0
333.48712	10.6
343.46918	8.2
365.10403	55.6
450.76123	10.3
543.01379	15.2
543.08765	77.8
624.98840	9.8
853.05170	15.2
885.07501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98430	0.8
65.37204	0.8
65.46871	0.8
67.05501	1.7
68.74496	0.8
69.03427	2.6
71.05039	1.2
71.08620	1.3
71.59888	0.9
71.60330	0.8
73.02914	2.9
76.20700	0.7
79.05472	1.0
81.03414	1.0
81.07024	2.1
82.01848	0.8
85.02898	3.5
87.08120	0.8
91.03960	2.3
93.07047	1.1
94.35939	0.9
95.08602	2.6
97.02895	4.8
101.02361	1.5
107.08592	1.8
109.36353	1.0
127.03934	2.0
135.11664	2.2
145.10098	1.1
161.85257	0.8
163.11198	3.3
181.12305	0.9
185.04311	1.3
227.12830	2.9
243.08507	1.7
249.10976	6.4
305.13641	2.4
305.58536	0.8
313.27292	1.2
316.68127	0.9
343.30255	0.9
347.09567	2.5
365.10385	1.1
405.13583	6.2
467.18829	11.0
497.30975	5.3
497.87332	1.0
504.31555	1.0
561.37909	1.0
629.24097	8.2
659.35901	4.5
723.42719	3.3
870.67743	1.0
885.48047	100.0
886.48248	6.8
895.97400	1.1
915.04535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.2
63.01000	0.6
67.05498	10.1
69.03380	1.0
69.07060	5.1
69.39048	0.7
69.39390	6.1
70.97657	0.6
71.04974	1.1
71.08626	13.3
71.26937	0.5
73.02889	1.2
79.05482	10.9
81.03381	1.2
81.07047	14.6
83.04942	1.3
83.08609	9.4
85.02857	2.6
85.06492	0.8
85.10174	7.4
89.05998	0.8
91.03915	1.5
91.05454	3.7
93.06481	1.1
93.07033	17.8
93.72290	0.6
95.04960	3.7
95.08596	27.7
97.02888	3.4
97.06496	2.2
97.10159	3.0
99.04413	2.6
103.07513	0.9
105.06996	3.1
107.04958	4.3
107.08583	14.8
109.06509	0.9
109.10154	5.1
111.11666	0.8
111.75668	0.6
117.07008	4.5
119.08563	5.8
121.06445	2.4
121.10131	7.4
123.11660	1.9
125.05923	2.1
127.03832	0.9
130.07768	0.7
133.10089	1.5
135.08006	0.9
135.11678	30.6
137.13158	0.8
139.07497	1.6
145.04926	0.9
145.10103	18.2
146.10504	0.6
163.11165	41.2
164.11560	0.8
173.09647	0.7
181.12212	8.7
184.07324	0.6
209.11763	0.8
227.12755	49.3
228.12970	0.8
239.23726	1.2
257.24899	1.4
283.15366	86.2
284.15829	1.2
313.27335	83.1
314.27631	2.1
360.99619	0.6
521.38330	100.0
522.38550	3.6
619.33490	0.6
772.24408	0.6
773.22443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82660	4.8
68.24842	5.4
71.59379	8.7
129.98668	4.7
147.22876	5.6
204.07414	5.5
232.14214	5.5
271.29669	5.2
777.48834	6.7
839.07935	28.1
871.08752	100.0
872.05579	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	876.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.8
61.93451	0.5
65.03943	1.3
67.05495	14.4
69.03419	23.4
69.07042	1.1
69.37680	0.5
71.04626	0.9
71.04984	8.4
71.59542	0.9
73.02895	2.6
79.05061	0.7
79.05489	8.0
81.03410	6.0
81.07045	4.9
83.04982	2.8
83.08601	0.7
85.02893	58.3
85.06528	6.5
85.49786	0.6
87.04462	3.2
91.03935	3.5
91.05460	5.7
91.62578	0.5
93.07034	4.2
95.04956	38.4
95.08594	4.8
97.02879	18.2
97.06516	8.0
99.04440	3.1
101.02367	0.9
103.03951	0.7
103.05473	0.6
105.07014	9.3
105.11539	0.5
107.04929	1.2
107.08580	33.3
109.02863	6.6
109.06503	1.8
109.10136	1.5
111.04404	0.9
113.05989	90.1
117.07001	2.9
119.04938	1.2
119.08555	4.5
121.06484	1.0
121.10135	2.5
123.08051	1.1
123.11666	0.6
127.03899	15.8
127.08723	0.7
129.06996	1.3
131.08549	13.2
133.06421	0.7
133.10110	6.0
135.04443	0.7
135.07983	1.3
135.11676	2.2
137.05963	1.1
139.07507	0.8
143.08531	6.7
145.04938	23.9
145.08598	13.3
145.10114	21.4
147.04396	1.0
147.08022	1.4
147.11664	8.7
149.05975	1.0
149.09602	3.1
149.13248	1.1
155.08543	1.2
157.10092	5.2
159.08028	1.5
159.11668	8.1
161.09602	4.1
161.13272	1.7
163.05989	8.1
163.11198	1.8
165.12775	1.6
169.10114	2.0
171.11627	2.6
173.09601	18.3
173.13277	1.8
175.03941	0.8
175.11159	5.8
177.12750	2.1
179.07034	1.0
179.10669	0.6
182.10663	0.7
183.11703	1.5
184.99092	0.6
185.09570	0.8
185.13255	2.0
187.11171	3.0
187.14763	0.5
189.07582	2.3
189.09116	1.0
189.12704	1.9
191.10632	11.0
191.14252	3.1
195.11694	0.9
197.13274	1.5
201.12646	1.0
203.10660	1.1
205.12181	0.8
207.06464	1.6
207.11560	0.6
208.06824	0.6
209.15279	1.1
211.14815	0.7
215.10666	1.7
223.14787	0.6
229.12273	1.1
231.13554	0.5
239.09180	1.9
243.13776	0.8
253.19490	11.9
257.10184	7.5
271.20535	10.5
271.23065	0.4
275.11325	3.6
277.19540	1.4
283.06293	2.3
284.06601	0.7
289.09238	1.5
289.21686	3.0
291.21030	2.1
295.20590	1.1
301.19525	1.2
309.22177	1.9
311.23422	0.6
313.21677	0.6
319.20410	5.0
325.11200	8.7
327.23172	0.8
335.09259	0.6
337.21573	18.8
355.06064	0.5
355.22632	27.8
373.23669	72.3
374.24167	1.8
391.24731	100.0
392.25079	1.4
409.25806	26.9
475.57925	0.7
583.51007	0.6
880.78082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70667	0.3
70.06588	1.0
71.59671	0.6
77.13689	0.4
78.43616	0.3
79.05508	0.5
81.03414	0.5
81.07124	0.3
85.02892	0.9
91.05495	0.6
93.81450	0.4
103.87705	0.3
123.76329	0.3
126.16049	0.4
129.96442	0.4
146.70245	0.3
153.01825	0.8
175.03946	0.8
207.06602	0.7
269.10550	0.3
347.09241	1.7
347.13312	0.5
491.17493	0.9
509.18362	2.3
603.26227	1.3
701.35260	3.1
863.40289	100.0
864.40649	5.1
878.21613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44137	0.6
71.58315	0.9
77.89101	0.6
91.18562	0.6
96.75650	0.6
116.74783	0.6
164.03618	0.6
184.98000	0.9
259.02563	0.8
277.03497	1.4
312.70837	0.6
314.55222	0.6
336.91238	0.7
365.10568	1.3
447.34164	0.6
487.05106	1.2
519.07507	0.9
527.03632	0.9
584.37714	0.6
601.27478	0.7
671.67072	0.7
769.80145	0.8
805.04517	3.7
809.07672	1.8
819.07056	1.2
837.07513	32.9
838.08185	1.0
869.10059	100.0
870.10852	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	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.3
67.05498	4.2
69.03429	2.7
69.07072	0.8
71.04991	1.0
71.77581	0.5
73.02921	2.9
79.05487	4.9
81.03409	1.2
81.07053	4.2
83.04990	0.5
83.08590	0.5
85.02901	3.6
85.06553	0.7
86.09698	1.3
87.04456	0.5
91.03962	1.8
91.05465	4.9
92.23159	0.4
93.07036	5.0
95.04970	1.8
95.08606	2.7
97.02907	3.7
97.06532	0.5
97.10139	0.5
98.21536	1.6
99.04438	0.5
101.02375	1.1
104.10748	2.3
105.07018	4.3
107.08586	2.2
109.06517	0.7
111.80927	0.4
115.04002	0.5
117.07012	1.5
119.08567	2.9
121.10181	1.1
123.08010	0.5
125.00024	0.7
127.03924	1.4
129.07039	1.3
131.08592	1.7
132.45233	0.4
133.10158	1.4
133.75284	0.4
143.08597	1.3
145.10103	1.0
147.11723	1.4
157.10196	0.5
159.11707	0.7
171.11710	1.0
184.07318	3.5
185.04303	0.7
185.13324	0.6
203.05472	0.4
203.14290	0.4
243.08420	2.6
247.13113	0.9
291.00418	0.4
303.15793	0.7
303.43726	0.5
333.20386	5.3
358.89838	0.4
389.22986	0.5
415.15735	0.4
465.20959	7.8
551.28210	12.2
775.42328	1.8
861.49603	100.0
862.49811	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	858.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.9
65.03938	1.3
67.05493	13.0
68.10965	0.2
69.03417	18.3
69.07054	0.6
70.26040	0.6
71.01325	0.4
71.04983	7.5
71.44038	0.2
73.02916	1.5
73.06541	0.2
79.05481	2.3
81.03404	4.1
81.07043	2.5
83.01328	0.6
83.04972	1.7
83.08604	0.5
85.02891	44.9
85.06530	6.8
85.07053	0.2
87.04449	3.1
91.03947	2.1
91.05460	1.7
93.07022	2.1
95.04954	34.8
95.08585	1.6
96.05312	0.2
97.02876	14.5
97.06513	6.3
98.21412	0.2
99.04430	2.2
99.08037	0.2
101.02368	0.4
101.06007	0.6
103.03917	0.6
105.07005	2.8
107.04932	0.4
107.08576	2.5
108.93321	0.2
109.02869	4.1
109.06516	1.2
109.10177	0.7
111.04434	1.1
111.05106	0.2
111.08042	0.2
113.05985	100.0
114.06322	0.5
115.03890	0.4
117.07000	0.5
119.04920	0.3
119.08556	1.9
121.06475	0.3
121.10117	2.2
123.04423	0.4
123.08066	0.3
125.05980	3.3
125.09614	0.3
127.03896	11.8
127.07556	0.3
129.05463	0.3
129.06966	0.6
131.08537	1.6
133.06535	0.3
133.10107	1.6
135.04355	0.3
135.08040	0.4
135.11638	0.9
137.05980	1.1
137.09688	0.2
139.03867	0.3
141.05400	0.2
143.08537	1.0
145.04936	19.0
145.08574	17.5
145.10086	2.0
147.04297	0.2
147.08032	0.4
147.11636	1.6
149.05939	0.4
149.13228	0.4
151.07590	0.3
153.01857	0.5
153.05435	5.1
155.07005	3.0
155.08324	0.3
157.10132	0.8
159.08054	0.2
159.11656	2.6
161.05890	0.2
161.09593	0.4
161.13229	0.9
163.06000	6.7
163.07373	0.5
167.07028	0.6
167.08435	0.2
169.10123	0.4
171.11629	0.9
173.09599	0.2
173.13246	0.9
175.07489	0.5
175.14798	2.3
177.05508	0.3
177.09065	0.4
179.07011	0.9
181.08603	0.2
181.09996	0.5
183.08023	0.2
183.11681	0.6
185.13199	1.5
187.11153	0.4
187.14761	0.8
189.07559	2.1
189.09064	0.4
189.16356	1.0
191.10602	0.2
193.08607	0.5
195.11652	0.7
197.07991	0.2
197.13234	0.7
199.14737	1.0
201.16344	3.5
203.17958	0.3
204.08690	0.2
209.13268	0.8
211.14929	0.5
213.07449	0.3
213.16502	0.2
215.17937	1.0
217.12274	0.5
221.08095	0.3
221.13216	0.3
223.14857	0.3
225.16364	0.3
227.10695	0.3
229.12277	0.4
231.13593	0.2
235.14879	0.4
237.16299	0.2
239.09100	1.3
241.12224	0.2
243.13802	0.3
249.16620	0.2
251.14375	0.2
251.17776	0.2
253.19550	0.6
255.13751	0.7
257.10147	4.7
257.15384	0.4
271.08203	0.4
273.14886	0.3
275.11197	2.0
277.19553	0.5
281.15302	0.4
289.09039	0.6
291.21057	1.2
299.16504	0.2
307.20499	0.2
309.21954	1.0
319.20410	1.3
325.07434	0.3
325.11221	5.3
327.23077	0.3
337.21573	6.6
355.22623	16.0
356.22992	0.2
373.23672	70.0
374.24057	1.5
390.26129	0.4
391.25031	0.3
414.26294	1.9
441.26215	0.3
485.28568	0.3
517.31561	10.1
558.34369	0.3
717.40778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.085
Annotation	Unknow
Peak:m/z	Relative Intensity
87.15668	1.2
95.11610	1.3
105.79308	1.4
118.43607	1.2
135.14233	1.2
164.66939	1.2
184.47162	1.4
213.20445	1.3
349.38953	1.3
381.07761	2.1
475.26697	1.3
505.06067	1.4
562.59216	1.5
761.05988	2.9
779.06964	2.6
793.09436	1.9
805.05103	10.3
809.08411	1.6
811.10309	2.4
823.05920	20.5
837.07605	30.8
855.08563	100.0
856.08948	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	858.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.5
65.03939	1.4
67.05496	16.2
69.03421	24.7
69.07049	0.5
70.74994	0.3
70.75349	0.6
71.01339	0.5
71.04982	9.2
73.02911	2.4
73.06532	0.2
75.04438	0.2
79.05472	1.7
81.02969	0.5
81.03408	5.7
81.07053	0.9
83.01359	0.5
83.04977	2.0
85.02894	71.1
85.06530	8.7
87.04459	5.1
91.03943	3.3
91.05459	0.8
93.07022	1.2
95.04957	44.9
95.08577	0.7
96.05283	0.2
97.02880	20.7
97.06516	5.4
99.04448	3.5
101.02351	0.5
101.05995	0.9
103.03942	0.6
105.07021	1.4
107.08586	0.9
109.02867	6.2
109.06486	1.3
109.10154	0.4
111.04429	3.1
113.05990	100.0
114.06358	0.6
115.03907	0.8
117.07005	0.4
119.04903	0.3
119.08575	1.1
121.10087	0.3
123.04436	0.5
123.08050	0.3
127.03901	19.8
127.07520	0.6
127.57846	0.2
128.04265	0.3
129.05431	0.5
131.08546	0.7
133.06517	0.4
133.10161	1.1
135.04405	0.4
135.11638	0.3
137.05971	0.7
139.07486	0.3
144.06529	0.4
145.04941	29.7
145.08575	23.2
145.09937	0.6
147.04410	0.3
147.11691	0.7
149.05965	0.5
153.01820	0.3
153.05455	0.4
157.10120	0.3
159.11662	0.7
161.13281	0.4
163.05997	10.8
167.07054	0.4
169.10110	0.4
171.11661	0.3
173.09578	0.3
173.13234	0.3
175.07536	0.2
175.14822	1.7
175.62122	0.2
177.09074	0.3
179.07034	1.0
179.08408	0.2
180.08586	0.2
183.11598	0.3
185.13184	0.3
189.07552	2.8
191.06979	0.3
193.08566	0.3
194.06429	0.2
195.11612	0.2
197.07959	0.2
203.07114	0.3
206.97014	0.2
207.06554	0.3
209.56473	0.2
211.09584	0.3
213.07645	0.4
221.08098	0.3
239.09113	2.5
249.26234	0.3
255.76964	0.2
257.10168	5.9
271.08173	0.6
275.11209	2.9
289.09039	1.3
325.11270	9.3
337.21524	0.9
355.22556	2.7
373.23685	34.4
374.24106	0.9
414.26257	0.8
437.46286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	8.9
62.92721	0.9
65.56383	0.7
67.05498	8.0
69.03423	5.9
69.07050	0.9
69.89453	0.8
71.01369	1.3
73.02918	4.5
79.05501	2.9
81.03405	1.9
81.07055	3.9
85.02900	9.6
85.75145	0.8
86.09704	0.9
90.57109	0.8
91.03927	4.6
91.05467	1.4
93.07056	3.0
95.08591	2.9
97.02888	7.0
97.15762	0.8
99.04425	1.2
101.02380	2.1
105.07043	1.7
107.08627	1.2
109.10172	4.1
117.07062	1.1
119.08601	2.2
120.43456	0.8
121.10143	1.1
127.03923	2.9
131.08537	1.2
173.11842	1.0
181.61494	1.0
187.09676	0.8
207.06480	0.8
243.08495	2.6
347.09549	2.9
397.43750	1.1
405.13672	7.0
413.17804	6.6
519.29382	6.3
575.22839	4.4
646.36420	1.0
681.34515	8.2
691.40344	1.5
838.63904	1.1
853.45526	100.0
854.45471	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	848.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	4.0
60.26405	0.8
61.02922	10.6
65.03926	2.2
67.05498	99.1
69.03411	3.6
69.07062	8.0
71.04963	2.9
71.59590	1.4
73.02901	3.7
79.05485	18.7
81.03442	1.3
81.07049	40.6
83.04960	1.4
83.08605	8.9
83.22495	1.0
85.02421	0.9
85.02900	13.1
85.06522	2.7
87.26854	0.8
91.03943	9.5
91.05471	14.1
93.07035	27.9
95.04948	2.8
95.08597	24.5
97.02876	7.2
97.06535	1.9
97.10158	2.0
99.04396	1.5
99.08080	1.0
105.07024	10.1
106.52144	0.8
107.08581	14.4
109.10144	85.2
111.08079	3.9
117.07006	3.3
119.08571	10.9
121.10141	11.2
123.11666	3.5
125.09616	1.0
127.03905	4.7
131.08556	4.9
133.10094	5.0
135.11699	7.7
137.09573	3.3
145.04927	4.3
145.10052	3.7
147.11667	3.2
149.13292	5.3
155.10643	4.3
159.11696	3.9
161.13303	2.7
163.06059	5.0
163.14810	2.4
173.11734	25.7
173.13243	4.0
175.14822	1.9
184.07307	1.8
187.14896	1.8
227.12779	5.9
229.14320	100.0
243.21011	5.4
246.67001	0.9
261.22144	18.5
317.24792	3.6
335.25754	74.3
336.26056	1.7
379.29684	1.1
397.30716	2.1
415.32227	2.5
441.82132	0.9
471.35031	2.0
489.35739	51.3
490.35684	2.1
507.36740	6.5
848.51294	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	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	3.1
61.02927	12.4
65.03943	1.9
67.05499	100.0
68.05841	1.1
69.03420	3.1
69.07055	8.7
69.07355	0.8
70.07487	1.4
70.07851	3.7
71.04997	4.0
71.08606	0.8
73.02914	4.3
79.05487	22.3
81.03423	1.7
81.07052	40.7
83.04983	0.9
83.08602	9.7
85.02895	13.3
85.03417	0.9
85.06534	3.3
91.03939	9.1
91.05474	16.5
91.06004	1.3
93.07034	31.7
95.04980	3.2
95.08597	29.9
97.02894	8.0
97.06534	2.6
97.10171	2.2
99.04485	1.0
99.08060	1.5
101.02377	0.9
105.07018	11.1
107.08585	16.5
109.02921	0.9
109.06494	1.3
109.10146	93.3
110.10528	0.9
111.08065	4.1
115.03930	0.8
117.07040	3.5
119.08575	13.9
121.10124	14.0
123.08101	1.0
123.11687	4.2
125.09628	1.7
127.03888	4.2
131.08553	6.9
133.10107	8.6
133.10913	0.8
135.11702	10.1
137.09624	3.5
137.13312	1.4
139.11127	0.8
145.04988	3.4
145.10098	4.7
147.11687	4.5
149.13219	6.0
155.10622	4.3
159.11713	4.0
161.13290	3.4
163.06029	4.2
163.14874	2.4
165.12756	0.9
173.11748	24.7
173.13284	4.1
175.14867	2.1
177.16473	1.0
184.07384	1.4
187.14862	2.8
189.11258	1.1
201.16478	0.9
227.12732	6.1
229.14331	98.7
230.14882	1.0
233.22685	1.2
243.21107	5.5
245.19040	1.0
261.22147	25.1
275.20154	0.7
309.69452	0.8
317.24872	3.2
335.25775	77.5
336.26389	2.6
379.30115	1.1
397.31195	1.3
415.31860	0.9
452.23489	0.8
471.34738	1.9
489.35715	83.2
490.36490	3.0
507.36798	6.8
718.14471	0.8
781.34479	0.8
878.74677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.5
67.05491	9.0
69.03416	4.4
69.07053	1.8
69.25274	7.9
69.25682	1.3
71.04977	1.5
73.02907	4.7
79.05495	5.0
81.03416	2.3
81.07042	6.7
83.08601	0.9
85.02894	6.3
86.09701	3.4
91.03947	3.2
91.05472	2.6
93.07036	4.8
95.04977	0.9
95.08597	3.8
95.48608	0.8
97.02877	6.0
97.06543	1.6
101.02378	1.8
105.07035	1.7
107.08594	2.6
109.02920	0.8
109.10160	1.8
119.08579	2.0
121.10123	1.8
125.00050	1.4
127.03943	1.7
131.08582	1.3
133.10144	1.3
134.44788	0.8
135.11714	1.1
139.55878	0.8
184.07321	11.7
185.04291	0.9
243.08429	2.1
274.00726	0.8
327.94690	0.8
335.25870	1.3
349.19797	10.9
367.26819	0.8
453.20923	1.4
519.29095	6.1
567.27722	2.0
690.62231	0.9
719.17358	1.0
845.50049	100.0
846.50525	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	845.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.8
63.24123	0.6
67.05503	4.8
69.03422	3.4
69.07071	2.5
71.59579	0.8
73.02914	3.4
79.05493	4.8
79.82201	0.7
81.03415	1.6
81.07034	3.9
83.08615	0.9
85.02885	3.4
86.09666	0.9
91.03947	3.0
91.05474	4.5
93.07028	5.6
95.04952	1.2
95.08602	3.6
97.02898	4.3
101.02377	1.1
104.49202	0.7
105.07044	4.3
107.08573	3.4
109.02870	1.0
109.06519	0.6
109.10136	0.8
110.09212	0.7
117.06992	0.9
119.08581	3.8
121.10113	1.4
124.99964	0.7
125.09666	0.9
127.03918	1.2
131.08560	1.1
133.10129	2.4
134.42007	0.7
135.11667	1.2
145.10133	1.5
147.11679	1.3
159.11697	1.0
161.13264	0.8
184.07327	3.7
185.04219	1.6
243.08440	4.0
301.09009	2.4
317.20850	0.8
320.70755	0.9
333.20474	2.5
385.18738	1.1
397.18753	0.9
439.18848	1.0
465.21198	1.2
535.28815	7.8
551.28149	5.2
623.30237	1.9
845.50110	100.0
846.50195	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	845.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.2
67.05499	5.1
69.03422	2.5
69.07055	1.6
71.04979	0.6
71.11534	0.9
73.02899	4.0
79.05491	4.6
81.03420	1.5
81.07051	5.4
83.04973	0.9
83.08614	1.1
85.02902	4.1
86.09703	0.9
91.03957	2.2
91.05470	4.0
92.37292	0.4
93.07034	6.0
95.04971	1.1
95.08602	2.9
97.02879	4.0
97.06514	0.5
99.04448	1.0
101.02378	1.8
105.07014	3.8
107.04910	0.8
107.08572	2.6
109.06503	0.5
109.10154	1.0
115.03954	0.6
117.06992	1.0
119.08566	2.1
121.10136	1.4
125.00093	0.5
127.03899	1.8
129.05479	0.5
131.08524	1.1
133.10115	2.4
135.11691	1.5
145.10123	1.0
147.11694	1.1
149.13254	0.5
159.11714	0.6
184.07318	2.4
185.04166	0.8
203.05251	0.6
225.22104	0.4
243.08430	3.5
260.38641	0.4
301.09100	1.5
315.10342	0.7
317.20053	0.5
333.20425	2.9
340.05612	0.5
362.10617	0.5
439.19131	0.7
453.21103	1.1
465.21475	0.8
535.28809	8.8
535.36609	0.7
536.28674	0.5
551.28296	4.7
623.30280	1.2
674.83783	0.4
733.41650	0.5
845.50085	100.0
846.50513	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	845.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28784	0.3
61.02922	4.3
61.10858	0.3
65.03927	0.4
67.05496	4.6
69.03404	1.9
69.07053	2.4
69.46663	2.9
71.01357	0.4
71.04989	0.7
72.36202	0.3
73.02900	2.6
79.05482	4.6
81.03415	1.5
81.07045	3.9
83.04961	0.4
83.08638	0.5
85.02901	4.5
86.09702	0.6
87.04443	0.3
91.03941	2.6
91.05473	3.9
93.07034	4.6
95.04971	1.2
95.08610	2.9
97.02889	3.4
97.06544	0.7
99.04475	0.7
99.08121	0.4
101.02393	1.7
105.07021	3.6
107.04923	0.4
107.08586	3.0
109.02872	0.8
109.10183	0.8
117.07015	1.0
119.08572	2.7
121.10167	1.8
127.03914	1.3
129.06963	0.3
131.08600	1.0
133.10150	2.1
135.11697	1.0
142.39227	0.3
143.08548	0.5
145.10139	1.2
146.68080	0.3
147.11711	1.4
149.09615	0.4
149.13327	0.4
157.10130	0.5
159.11713	0.9
161.13301	1.0
184.07344	1.0
185.04202	0.7
203.05351	0.6
243.08398	3.4
258.31516	0.4
259.20715	0.4
301.08838	1.9
315.10611	0.8
333.20258	3.1
341.11636	0.4
355.13354	0.5
357.15106	0.4
371.16663	0.4
389.23016	0.6
397.18112	0.4
431.23959	0.6
439.19507	0.5
453.21060	0.7
465.21124	0.5
535.28693	7.0
541.22656	0.5
551.28271	5.8
623.30579	1.2
747.42920	0.9
845.50104	100.0
846.50488	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	845.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.2
64.72813	0.4
67.05505	3.8
69.03419	2.9
69.07059	1.9
69.46030	3.9
69.82984	0.5
71.05009	0.8
73.02905	3.2
79.05482	4.7
81.03401	1.8
81.07047	4.5
83.08646	0.7
85.02895	3.7
86.09668	1.0
91.03951	2.2
91.05470	4.9
93.07028	5.2
95.04964	0.7
95.08594	2.7
97.02882	4.3
99.04440	1.0
101.02384	1.4
105.07023	4.6
107.08585	2.7
109.10142	0.8
112.23716	0.5
117.07016	1.2
119.02053	0.6
119.08571	2.2
121.10177	1.1
124.99981	0.7
127.03911	1.2
131.08594	1.7
133.10146	1.8
134.82529	0.5
135.11679	0.9
143.08548	1.0
145.10147	1.2
147.11702	1.5
149.13277	0.6
161.13286	0.5
171.11670	0.7
184.07335	2.5
185.04187	1.2
203.05217	0.5
213.12489	0.6
241.06738	0.6
243.08315	4.5
247.13080	0.7
282.10370	0.6
300.10718	0.6
301.09042	1.2
315.10629	1.0
333.20264	3.1
373.23468	0.7
389.22794	0.8
465.20905	3.9
500.42459	0.5
535.28741	7.4
551.28290	5.8
623.30426	0.8
759.43298	1.3
845.50073	100.0
846.50739	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	845.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81543	0.7
67.05505	1.3
69.42257	5.6
69.42664	1.3
70.98969	0.8
71.49652	0.8
79.47156	0.9
81.07073	1.1
86.09702	2.0
98.20812	1.8
99.15166	0.9
104.75639	1.0
107.08683	0.7
124.99998	1.2
179.83438	1.0
184.07307	7.1
205.78203	0.9
295.70673	0.8
441.77835	1.2
524.26331	1.0
551.17078	1.1
551.26166	3.0
569.26904	1.2
845.48059	100.0
846.49066	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	845.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.7
67.05492	5.7
69.03421	4.3
69.07072	1.9
73.02925	4.0
79.05473	4.6
81.03423	2.3
81.07036	5.6
85.02881	5.0
86.09702	4.2
87.04458	1.0
88.51645	0.8
91.03951	2.6
91.05487	3.4
93.07024	5.2
95.04971	1.2
95.08622	3.0
97.02885	5.0
97.06541	1.5
98.20750	2.6
99.04433	1.1
101.02390	1.7
105.07029	1.6
105.28322	0.9
107.08596	2.6
117.06985	0.9
119.08608	0.7
121.10146	1.6
125.00006	2.9
127.03919	1.4
131.08568	0.8
133.10167	1.0
184.07361	11.8
185.04158	1.2
185.07674	0.9
217.66946	0.9
229.30624	0.9
243.08501	2.4
349.19800	5.0
439.19492	1.5
453.20554	1.1
491.24863	0.9
519.29388	6.4
567.27765	3.5
677.36755	1.0
845.50085	100.0
846.51190	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	842.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	8.4
66.90961	3.6
67.05499	86.0
69.03415	5.2
69.07059	21.9
69.14338	4.1
71.05008	5.1
71.58762	3.4
79.05481	53.4
81.03410	5.0
81.07044	84.2
83.08608	11.0
85.02930	4.5
85.06519	4.3
86.09688	17.4
91.05458	38.4
93.07034	58.3
95.04956	8.3
95.08599	44.1
97.06525	7.4
97.10159	10.7
99.08109	5.2
105.07027	27.1
107.08586	32.8
109.10135	38.0
117.06994	10.1
119.08557	26.6
121.10116	22.7
123.11677	5.1
123.50558	4.0
124.99995	11.6
125.09629	7.3
129.07085	5.8
131.08601	18.6
133.10110	23.3
135.11691	13.4
145.10133	9.3
147.11676	12.7
149.09563	4.5
149.13246	13.0
159.11696	12.2
173.11745	6.3
173.13239	3.6
184.07312	62.0
214.52611	4.4
227.12755	11.0
229.14351	19.2
247.68166	4.7
257.19040	5.1
261.22101	10.8
269.17508	18.3
275.19904	22.0
326.60498	3.7
335.25751	100.0
336.26096	6.4
349.23816	17.0
367.24844	9.4
421.22485	5.5
489.35712	21.7
529.38947	54.1
535.28339	5.0
574.69623	4.4
577.55347	3.5
609.45227	28.0
627.45758	16.5
729.12823	4.1
747.33380	4.4
843.48456	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.1
69.76125	0.3
71.59245	0.3
71.59668	0.3
71.95782	0.3
76.66277	0.3
81.03407	1.0
84.08141	0.7
85.02895	0.6
91.05476	1.3
97.02837	0.4
103.05474	0.4
105.07029	0.6
106.32236	0.3
107.04932	0.5
109.02850	0.6
112.11215	0.3
115.05444	0.9
116.06231	0.4
117.07021	0.6
119.04922	0.7
122.08208	0.3
124.05238	0.3
127.03920	0.5
128.06194	2.1
129.06989	4.8
131.04906	0.6
131.08557	5.9
133.06476	1.1
133.10173	0.4
133.63588	0.3
137.05946	0.5
139.05266	0.3
141.06979	2.1
142.07782	0.5
143.04880	0.3
143.08562	0.9
144.05695	2.1
145.02814	0.8
145.06474	2.0
146.07288	0.5
147.04381	1.0
153.01819	3.3
153.06958	0.6
154.02103	0.5
157.06468	3.2
158.07216	0.6
159.08041	10.1
161.05960	1.0
161.09621	2.5
163.03860	0.7
167.07030	0.7
169.07611	0.7
170.07243	2.2
171.08038	2.0
172.05211	1.0
173.05945	1.7
174.06729	0.7
175.03838	0.8
175.07568	0.8
176.04283	0.4
177.05508	0.6
178.06018	0.4
187.07520	7.8
187.46075	0.4
188.08322	0.3
189.05441	0.6
189.09082	4.2
190.06374	0.4
191.06982	0.6
192.07747	0.5
198.06792	0.6
199.07547	0.8
201.05444	0.5
202.99785	0.7
203.06905	1.5
204.07794	4.6
205.08609	1.0
206.09288	0.4
207.06499	0.8
207.10274	0.4
216.07747	1.4
219.10138	2.3
221.08122	0.5
221.11711	1.1
231.10115	2.6
234.08879	0.4
237.11169	0.6
249.11198	100.0
250.11540	1.7
263.01944	0.8
267.12265	2.5
270.60953	0.4
276.99814	0.8
277.03314	0.5
291.01212	0.4
319.00882	0.8
361.01868	1.1
433.09650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42423	5.5
67.05170	7.6
67.05504	100.0
69.03450	7.5
69.07060	29.0
69.27330	44.0
69.27754	18.4
71.04971	7.7
79.05482	68.1
81.07047	76.9
83.08604	17.6
85.02916	8.0
85.06512	7.5
91.05469	89.2
93.07040	79.3
94.16484	5.3
95.04958	18.8
95.08591	60.1
97.06493	11.8
97.10132	11.9
105.07007	81.1
107.08588	44.3
109.06495	9.1
109.10139	20.9
111.08119	6.0
117.07028	29.8
119.08573	61.5
121.06506	9.0
121.10136	34.2
123.11663	5.9
129.06998	23.1
131.08540	48.3
133.10153	36.7
135.11673	17.5
137.09624	8.6
141.06960	9.4
142.07878	6.2
143.08585	25.4
145.10100	38.0
147.11668	32.9
148.43835	5.6
149.13278	11.4
155.08534	12.6
157.10121	27.1
159.11676	40.8
161.13243	17.1
163.11267	7.3
169.10156	19.9
171.11705	20.0
173.13292	15.6
175.14728	9.2
181.10088	16.4
183.11769	17.5
184.07259	8.5
185.13258	17.8
187.14731	8.4
195.11707	10.3
197.13316	11.8
199.14836	10.2
211.14873	9.5
237.16530	6.7
241.19554	10.1
257.19037	9.7
259.20560	27.4
273.18771	6.5
275.20038	14.0
333.24127	35.9
349.23654	9.8
431.17661	6.5
513.35663	10.9
522.33624	6.5
527.37183	24.1
533.39618	7.4
543.35736	7.7
553.38672	8.6
607.43561	54.0
625.44110	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	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.0
65.03921	5.7
67.05166	6.5
67.05497	89.4
69.03422	7.1
69.06718	4.0
69.07071	42.7
69.38743	37.9
71.04967	5.8
72.08144	9.3
79.05483	79.8
81.03393	15.1
81.07047	88.9
83.04964	14.6
83.08602	21.3
85.02869	9.1
91.04894	5.4
91.05473	100.0
93.07041	99.0
95.04968	20.8
95.08048	4.8
95.08603	56.0
95.09168	6.4
97.02900	7.2
97.06490	8.9
97.10156	13.5
98.20702	6.2
99.08061	6.8
105.07022	94.5
107.04945	11.1
107.08591	58.9
107.20190	4.0
109.06550	10.1
109.10147	25.2
111.08060	9.9
115.05441	6.9
117.07003	42.4
119.08579	64.0
121.10129	32.9
123.11704	11.8
125.09636	6.7
128.06247	6.4
129.07024	19.4
131.08557	46.4
133.10117	44.9
135.08031	9.4
135.11668	31.4
137.09546	6.1
141.06946	7.6
142.07791	4.8
143.08534	23.8
145.10097	41.5
147.11687	37.2
149.09645	11.4
149.13222	18.0
151.11198	4.4
155.08530	9.3
156.09322	3.8
157.10143	20.6
159.11703	29.3
161.13231	18.5
163.11172	9.1
163.14740	4.2
167.08568	5.2
167.81371	4.0
169.10081	16.6
171.11649	22.6
173.13254	20.3
175.14754	11.4
181.10100	8.3
183.11665	12.5
184.07344	10.6
185.13251	13.4
187.14862	5.6
195.11674	6.3
197.13258	11.0
199.14778	11.1
201.16373	6.0
207.11717	4.9
209.13290	9.3
211.14810	5.8
223.14912	5.0
225.16391	4.4
227.12691	9.5
241.19640	18.5
251.17966	4.4
255.15926	10.2
257.18845	8.7
259.20563	42.4
269.17563	14.0
275.20114	21.4
277.21606	5.7
307.92053	3.9
315.23093	7.1
333.24237	52.5
335.25653	11.9
349.23911	7.5
367.24127	3.7
404.64664	4.1
435.32379	4.7
453.33426	5.8
513.35815	26.4
515.37708	8.4
525.35156	4.2
527.37360	42.6
545.38324	7.6
559.29504	3.9
590.13501	4.8
590.62067	5.3
603.28064	5.0
607.43225	34.4
625.44757	31.8
660.43884	5.1
745.68152	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	840.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33510	2.8
67.05496	97.7
69.03421	9.2
69.07062	38.7
69.70730	21.6
71.04975	5.8
72.08148	3.1
73.02863	3.8
79.05058	5.2
79.05487	93.2
81.03412	15.9
81.07046	100.0
83.04955	12.2
83.08606	14.5
85.02896	7.0
85.06512	8.5
86.09747	3.7
87.04459	7.4
91.05469	91.1
93.07038	87.0
95.04957	13.3
95.08595	62.7
97.02853	4.1
97.06512	8.9
97.10161	8.7
103.05479	5.3
105.07021	82.1
107.04931	10.9
107.08584	45.6
109.02886	4.1
109.06482	9.2
109.10143	23.9
111.08034	5.6
115.05442	4.4
117.06998	33.5
119.07778	5.5
119.08572	65.2
121.06532	6.2
121.10130	38.5
123.08015	7.2
123.11672	10.0
129.06985	19.9
130.07814	3.2
131.08553	48.3
133.10110	48.2
135.08055	6.9
135.11690	25.8
137.09630	4.2
141.06981	6.6
142.07779	5.0
143.08551	18.4
145.10089	33.8
147.08011	3.3
147.11656	33.9
149.09576	9.2
149.13196	15.9
151.11160	3.2
155.08513	9.5
157.10117	19.8
159.11685	37.3
161.13252	22.5
163.11142	8.8
169.10138	11.2
171.11676	19.7
173.13240	17.3
175.14807	8.1
176.96173	3.6
177.12714	6.5
181.10124	8.5
183.11708	7.8
184.07349	8.9
185.13268	10.4
187.14897	6.4
189.16415	4.0
195.11662	7.4
195.13660	6.2
197.13242	7.4
199.14761	8.2
209.13216	5.8
211.14926	4.2
241.19456	13.3
255.15852	15.0
257.19022	5.5
259.20578	42.1
269.17407	26.0
275.20105	16.0
277.21631	3.9
285.70929	3.9
315.23245	7.1
333.24176	45.0
335.25659	9.2
349.23746	12.2
367.24661	5.9
417.31555	4.6
435.32428	11.0
450.07407	3.8
453.33563	7.1
471.34283	4.3
509.36111	4.2
513.35455	14.9
527.30060	4.8
527.37402	63.4
545.38257	8.6
589.42188	3.6
591.07129	4.1
607.43219	20.5
625.44751	23.2
660.44110	5.3
749.14496	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06709	3.1
61.02924	7.8
65.03918	4.9
66.55712	2.9
67.05502	100.0
69.03432	16.6
69.07064	74.5
69.40382	17.3
69.40808	15.8
71.04974	24.2
73.02928	4.1
79.05051	6.4
79.05489	88.2
81.03414	24.9
81.07056	99.8
83.04977	15.4
83.08601	16.0
85.02902	11.0
85.06533	6.4
91.05479	66.5
93.07043	84.9
95.04958	21.6
95.08607	62.3
97.02902	9.3
97.06530	92.1
97.10196	7.2
99.04469	6.5
99.08096	7.8
105.07028	49.4
107.04948	11.9
107.08581	50.1
109.02888	5.4
109.06506	21.2
109.10153	22.4
111.08074	6.8
115.07561	38.8
116.06180	3.4
117.07027	27.3
119.08571	26.3
121.06563	5.4
121.10129	37.6
123.08055	6.7
123.11681	4.1
125.09674	3.6
127.03883	7.7
129.07011	12.6
131.08549	36.2
133.06435	5.9
133.10127	26.9
135.08055	13.1
135.11699	15.5
137.09573	4.0
141.07056	4.1
142.07816	4.2
143.08589	5.8
145.06476	3.8
145.10080	22.7
147.11696	13.1
149.09558	4.1
149.13251	14.9
157.10135	14.6
159.11670	21.7
161.09576	8.5
161.13293	3.3
163.11143	4.3
169.10069	5.9
173.04408	5.6
173.13226	8.1
177.12679	7.4
183.11711	5.0
184.07338	9.5
185.13280	6.3
187.14841	6.2
195.13829	6.0
196.85255	3.9
211.54692	3.3
217.15878	13.8
245.18976	4.5
253.14299	5.9
255.17606	4.8
259.20624	4.3
261.22211	11.8
267.12524	4.1
269.17465	19.2
273.18506	44.5
291.19745	18.6
291.22592	4.3
297.17181	4.8
317.24762	5.1
335.10681	3.6
335.25793	93.3
347.22040	9.8
365.23056	8.3
395.81583	3.4
476.79214	3.9
529.38873	31.9
607.43292	7.7
625.45117	22.2
643.45538	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65680	3.0
65.03916	3.3
67.00101	2.8
67.05498	74.7
69.03420	15.7
69.07061	48.1
71.04987	15.8
71.58943	3.0
73.02884	3.3
79.05051	5.5
79.05480	72.6
81.03410	16.8
81.07053	66.8
83.04956	10.3
83.08604	9.5
85.02889	7.0
85.06528	3.9
91.05472	43.1
93.07034	75.2
94.05750	3.1
95.04954	16.1
95.08593	47.2
97.02857	10.8
97.06515	61.9
97.10128	2.7
99.08092	7.2
105.07009	35.5
107.04935	5.1
107.08585	31.0
109.06492	16.8
109.10126	20.2
111.08091	3.1
113.06045	3.2
115.07559	25.8
117.07012	17.6
119.08566	25.5
121.06468	6.5
121.10130	24.6
123.08051	7.1
123.11688	6.0
125.09605	3.2
127.03910	7.8
127.07526	3.6
129.06992	10.4
131.08551	26.7
133.06427	5.5
133.10118	25.1
135.08049	12.2
135.11667	12.3
137.09622	5.0
137.13213	3.1
143.08525	5.3
145.10114	15.0
147.08018	5.1
147.11687	10.4
149.09615	5.0
149.13228	11.1
157.10144	9.5
159.11671	12.3
161.09569	7.8
161.13182	4.8
171.11644	4.7
173.04456	4.0
173.09586	3.4
173.13242	4.3
175.11166	3.6
175.14752	4.4
177.12749	5.0
183.11652	5.2
195.13742	3.2
199.14799	3.2
214.13503	3.1
217.15872	8.1
243.20905	3.2
244.43979	3.1
253.14499	3.7
255.17181	4.5
261.22321	5.7
269.17444	7.8
273.18484	29.5
275.20065	6.8
291.19366	13.4
307.18762	3.1
335.25784	100.0
347.22156	12.0
365.23193	8.6
529.38702	26.1
567.40143	6.2
607.43127	5.2
625.44257	13.9
640.62622	3.7
643.45605	9.1
748.17682	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	837.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.2
67.05488	1.0
69.03415	3.2
70.06575	1.1
71.59498	1.5
79.05501	0.9
81.03418	2.3
84.08118	0.9
85.02896	3.4
91.05472	2.2
93.07037	1.7
94.06561	1.9
95.04951	0.9
96.08138	3.0
97.02861	1.4
105.07034	1.3
107.07350	1.0
107.08591	0.7
108.08108	6.3
109.02872	1.4
110.09645	4.1
119.04920	1.2
120.04509	1.2
120.08096	5.5
121.06468	0.9
122.05991	3.8
122.09662	2.6
124.07571	1.5
127.59162	0.8
135.04472	0.9
136.07547	7.6
138.09102	7.3
145.02832	1.3
146.06032	1.8
147.04445	1.5
148.07521	4.4
150.09140	4.9
152.07060	0.7
153.01863	2.5
164.07109	1.8
166.08627	13.5
167.99561	0.7
171.85123	0.8
172.03995	2.1
175.03928	1.3
177.05511	2.3
190.05026	3.0
197.10645	1.0
204.06604	2.9
207.06616	2.2
211.08672	1.3
212.09308	1.2
213.10263	0.9
219.49527	0.7
224.09319	1.0
225.10248	3.7
226.11000	1.6
227.11871	2.6
237.10176	6.1
238.11063	1.0
239.11864	3.2
240.12407	1.2
241.09714	1.8
241.13292	1.4
245.12929	1.1
248.09486	2.1
249.10222	4.3
250.11049	0.9
251.08093	2.0
251.11870	5.1
253.09744	3.5
255.11385	4.1
261.10248	3.6
262.10773	1.2
263.11713	6.2
264.08844	1.1
265.09717	9.2
266.10446	1.2
267.11188	6.0
267.14954	0.7
269.09341	1.0
269.12848	3.4
271.10858	2.2
277.09787	2.4
278.07602	0.9
278.10410	3.9
279.07709	2.1
279.11319	11.5
280.12119	1.6
281.09268	2.5
281.12662	1.7
283.10760	6.9
283.13757	1.3
285.12418	2.2
287.14090	1.5
289.09656	9.2
290.10373	1.1
291.11282	3.2
293.09183	3.7
293.12891	3.0
294.09982	3.0
295.10934	5.2
295.14011	1.2
296.11508	3.2
297.12363	2.5
299.14014	1.0
307.10867	4.1
309.12247	3.4
310.41043	0.8
311.10278	5.8
311.13934	3.1
312.10971	1.6
313.11856	3.1
314.12683	1.2
315.13470	1.1
321.12009	1.2
323.10345	1.6
323.13858	2.3
324.11215	1.4
325.11673	5.0
326.12616	2.9
327.13449	6.3
328.14246	1.2
335.10291	11.0
337.12003	2.7
339.09903	1.2
339.13361	31.9
340.10657	2.3
341.11353	2.5
343.13055	1.2
352.10715	1.1
353.11273	7.5
354.12003	4.5
355.12842	12.4
356.13852	1.1
357.14487	1.5
360.05457	0.8
367.12851	29.9
367.17395	1.6
370.15674	1.8
384.13342	1.2
398.15103	1.2
399.15710	2.5
400.16455	1.4
430.17673	1.4
432.19144	1.1
447.18106	0.9
458.17316	2.2
460.18738	3.3
474.20557	1.4
478.19577	0.9
487.16916	1.2
488.18216	13.8
492.21570	1.1
505.17999	1.3
506.19012	6.9
520.20740	13.8
552.23407	4.9
591.40210	1.0
611.25079	5.9
643.27203	1.6
650.23517	10.2
682.25946	100.0
683.26599	3.7
714.28754	8.3
773.29901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.0
65.03931	0.5
67.05502	3.8
69.03424	2.9
69.07079	1.5
70.19549	1.4
71.01356	0.4
71.07347	0.4
73.02911	3.0
79.05484	6.4
81.03418	1.3
81.07047	4.8
83.04952	0.4
83.08620	0.7
85.02897	4.2
85.03360	0.4
86.09707	1.4
87.04478	0.5
91.03945	3.4
91.05472	4.5
93.07034	5.9
95.04986	1.4
95.08604	3.5
97.02894	3.4
99.04458	0.7
101.02367	1.9
103.03957	0.3
105.07021	4.4
107.08587	3.3
109.02915	0.7
109.06545	0.5
109.10133	0.7
117.07016	1.4
119.08585	3.3
119.88777	0.3
121.10165	1.3
123.04298	0.3
125.00038	1.0
127.03938	1.9
129.04597	0.3
129.05508	1.0
129.07018	1.0
131.08577	1.5
133.10135	2.9
133.10983	0.4
135.11720	1.3
143.08566	0.6
145.05060	0.4
145.10138	1.4
147.11667	2.2
149.13341	0.7
157.04922	0.3
157.10120	0.6
159.11745	1.0
161.13324	1.0
173.13226	0.7
175.17873	0.3
184.07365	4.3
185.04192	1.4
185.07715	0.5
185.13275	0.5
201.03772	0.8
203.05289	0.4
241.06825	0.4
243.08382	4.6
259.20590	0.7
285.01080	0.3
299.19806	0.3
301.08963	2.6
313.08911	0.7
315.10416	1.4
317.20880	1.7
341.12195	0.7
357.15329	0.5
369.15372	0.4
371.17331	0.4
372.16281	0.3
373.06976	0.3
373.11285	0.7
373.23355	0.7
383.16803	0.9
385.18393	1.0
397.18448	0.5
415.24719	0.3
429.17322	0.6
437.21817	0.3
439.23203	0.5
465.20779	2.0
495.21396	0.5
517.27740	0.7
525.22931	2.4
535.28772	17.5
536.28986	0.4
577.29388	0.3
586.13513	0.3
607.30646	1.9
621.32013	0.5
622.80780	0.3
635.34180	0.8
649.37170	0.3
663.36285	0.4
720.33453	0.3
759.42816	0.5
829.50629	100.0
830.50781	7.9
859.17566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	6.0
64.09429	0.6
67.05495	7.9
69.03416	4.0
69.07048	1.7
69.25586	8.1
71.01357	1.0
71.04979	0.7
73.02892	5.0
78.87715	0.7
79.05477	4.9
81.03411	2.3
81.07043	5.8
85.02883	5.6
91.03946	3.2
91.05464	3.5
91.08574	0.7
93.07021	5.5
95.04957	1.1
95.08585	3.0
96.99459	0.6
97.02876	5.3
101.02392	2.2
105.07044	2.0
107.08593	2.9
109.02925	1.1
109.10149	1.6
117.06998	0.9
119.08588	2.0
121.10154	1.5
127.03942	1.0
131.08551	1.5
133.10100	1.1
161.13147	0.7
184.07384	0.9
185.04230	0.8
243.08440	2.4
292.57043	0.7
333.20276	4.4
335.26035	0.7
459.58228	0.7
465.21005	1.5
519.29285	7.3
551.28308	4.5
552.85175	0.7
698.63721	0.8
743.44031	1.0
829.50592	100.0
830.50348	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	829.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.8
67.05496	6.7
69.03419	4.8
69.07079	1.4
71.08750	1.4
73.02905	5.3
73.34135	0.7
79.05474	3.7
81.03409	1.9
81.07062	7.4
85.02902	6.4
87.04443	0.8
91.03954	3.2
91.05472	3.3
93.07038	5.0
95.04933	1.3
95.08593	4.5
97.02866	5.7
101.02386	1.9
105.07019	2.1
107.08594	2.8
109.02897	1.2
109.10132	1.6
119.08572	1.9
121.10142	2.2
127.03915	1.8
129.35770	0.7
131.08510	1.1
132.59846	0.7
133.10117	1.2
135.11658	1.2
145.10081	1.1
148.12291	0.8
157.51398	0.8
184.07265	1.2
203.05315	1.2
243.08548	2.5
266.68402	1.0
303.70807	0.9
320.68759	0.8
333.20413	3.8
341.41528	0.8
519.29297	9.0
551.28687	2.5
731.43378	2.9
782.69006	1.0
829.50629	100.0
830.50873	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	827.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.7
67.05492	5.4
69.03432	3.0
69.07063	1.5
69.26620	3.7
69.27037	2.2
69.63065	0.6
71.01341	0.5
73.02901	3.4
79.05479	3.1
81.03424	1.0
81.07034	4.9
84.99416	0.5
85.02894	4.1
86.09695	0.7
86.35992	0.5
91.03954	2.7
91.05468	1.6
93.07018	2.8
95.08600	2.2
97.02892	4.4
97.10156	0.9
101.02391	1.3
105.07040	0.8
107.08604	1.5
109.10153	1.6
119.08562	0.9
121.10138	1.0
124.99982	0.9
127.03876	0.8
129.05583	0.6
131.08611	0.7
133.10146	0.6
145.21262	0.5
147.07542	0.6
147.11607	0.5
184.07372	2.4
185.04185	0.7
243.08435	2.4
276.67535	0.5
291.19504	1.3
331.18933	1.7
335.25662	0.9
350.38620	0.5
366.84866	0.6
394.74466	0.6
441.72220	0.6
519.29224	10.3
549.26416	3.2
827.49011	100.0
828.49414	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	826.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02365	0.3
63.48899	0.3
65.03927	0.9
69.03423	5.4
71.04976	0.5
79.01826	1.5
81.03410	24.3
82.03745	0.6
83.01324	0.5
83.04882	0.3
84.04480	1.2
85.02895	2.2
89.98266	0.3
92.99802	0.7
93.03363	0.5
95.01313	2.2
96.04446	0.3
97.02890	3.6
97.49852	0.3
98.20696	0.6
98.21391	1.2
99.00806	0.5
99.04420	1.1
101.02348	0.5
108.04473	0.5
109.02869	14.2
111.00817	0.3
111.04436	0.4
113.02337	0.9
116.98640	0.3
117.03490	0.3
119.01289	1.6
121.02866	2.0
123.00736	1.6
125.02327	1.3
126.05473	0.3
127.03900	4.0
137.02298	0.9
139.00258	0.3
139.03833	0.6
141.01807	1.7
143.03310	0.4
147.00734	0.7
149.02351	1.6
151.00272	1.4
153.01793	4.0
154.99734	1.0
163.03905	0.5
165.00513	0.5
165.01820	7.1
166.99702	0.5
167.03384	2.6
169.01297	0.8
171.02841	0.6
177.01817	1.1
178.99706	0.4
182.99216	0.7
189.01831	0.3
191.03343	0.9
193.01305	33.7
194.01642	0.8
195.02829	1.3
201.01788	0.6
202.99799	0.8
203.03328	0.9
205.01328	1.1
207.02925	0.4
209.00800	0.4
211.02357	3.1
216.70998	0.3
217.01331	0.9
219.02898	1.6
221.00781	100.0
222.01144	2.2
229.01340	0.9
231.02866	2.7
239.01816	4.8
240.02017	0.3
245.00684	1.0
247.02357	8.6
248.02641	0.4
255.02811	0.4
257.00574	0.6
257.02847	3.2
259.02332	1.7
263.01694	1.5
267.01324	0.7
271.02179	0.4
273.00189	1.3
273.03650	0.6
275.01822	5.9
276.02466	0.6
277.03256	1.6
278.03705	0.5
285.00137	0.5
287.01770	0.6
289.03510	0.4
291.01550	0.5
299.01767	0.3
301.00189	0.4
301.03375	1.2
302.00446	0.6
303.01297	8.4
304.01837	0.4
313.03293	0.4
314.86441	0.3
315.01199	0.4
317.02924	0.7
319.01035	0.7
327.01456	0.4
347.03848	0.9
365.05020	4.9
371.66379	0.4
383.05905	1.3
419.06146	2.7
429.04559	0.7
431.02444	0.7
447.05450	2.2
449.03436	1.2
459.01843	2.6
477.02896	6.2
478.03500	0.4
495.04056	1.5
513.04761	0.9
575.06384	0.8
583.05536	0.4
585.05145	0.8
593.07916	0.5
603.06152	6.2
621.07135	10.7
622.07214	0.8
639.08203	17.0
640.08014	1.1
844.42053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	4.8
67.05504	77.5
69.03416	6.6
69.07072	20.6
69.85886	5.4
69.86317	7.1
71.04977	4.6
79.05061	3.2
79.05493	54.6
81.03413	7.4
81.07057	70.1
83.04967	4.7
83.08629	13.2
85.02901	4.1
85.06532	4.5
88.60325	2.4
91.04886	2.6
91.05474	56.2
93.07043	63.7
95.04972	11.9
95.08048	3.4
95.08609	49.5
97.02879	3.4
97.06508	6.5
97.10166	9.0
99.08071	4.1
105.07027	49.7
107.04929	5.2
107.07868	2.2
107.08594	43.9
109.06527	6.2
109.10159	21.0
111.08054	5.8
117.07019	24.4
119.08583	37.1
121.10135	25.4
122.14207	1.9
123.08053	2.8
123.11706	6.4
125.09620	8.0
125.29802	2.3
128.06151	3.1
129.07016	10.3
131.08562	30.3
133.10159	22.7
135.08043	5.3
135.11684	16.1
137.09563	2.7
139.11293	1.9
141.06999	2.4
142.07756	2.7
142.51659	1.9
143.08531	11.4
145.10123	29.5
147.11707	17.1
149.09561	7.1
149.13232	7.3
151.47893	2.3
155.08533	7.6
157.10127	8.0
159.11670	27.9
161.09618	3.3
161.13191	9.3
163.11168	4.1
163.14771	2.5
165.12741	1.9
169.10100	7.0
171.11656	5.2
173.04552	2.1
173.13225	12.7
175.14796	4.1
177.12715	3.1
179.14307	2.9
183.11681	3.9
185.13295	13.7
187.11143	2.6
187.14798	5.5
189.11192	4.6
195.11781	3.2
197.13354	4.7
198.52045	2.2
199.14850	3.1
201.16393	2.4
203.14290	4.6
205.15958	2.2
211.14766	2.5
215.18073	2.8
219.17381	4.9
227.12766	10.8
229.19432	3.6
239.17862	5.7
255.15805	3.5
257.18991	22.2
259.20502	5.7
261.22116	7.6
264.60818	2.5
269.17438	7.8
275.20041	32.9
293.21164	4.0
307.22366	2.0
331.22714	7.7
333.24210	3.4
335.25800	100.0
336.26367	2.4
349.23685	34.1
374.39618	2.1
402.22488	2.5
432.52228	1.9
446.24823	2.2
489.35574	5.0
505.35593	2.6
510.54434	2.3
515.37506	4.7
529.38947	10.1
609.45026	51.8
610.45148	3.1
627.45789	5.0
825.53296	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	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08137	7.9
62.72039	4.3
67.05496	85.8
69.03407	5.8
69.07050	33.3
70.84904	9.8
70.85275	9.7
79.05475	59.9
81.03405	10.8
81.07047	98.0
83.04944	9.2
83.08595	13.4
85.19067	4.8
86.09686	17.2
91.05476	46.2
93.07027	78.9
95.04935	13.1
95.08591	62.9
97.06513	11.3
97.10139	5.3
98.98496	6.0
105.07024	32.3
107.08585	41.9
109.06473	5.6
109.10140	22.1
111.08083	6.9
117.07005	18.8
119.08582	29.0
121.10108	26.3
123.08038	5.6
123.11653	11.1
125.00010	12.3
129.06987	8.0
131.08533	22.7
133.10088	28.5
135.11664	19.1
145.10078	11.2
147.11696	11.7
149.09589	6.1
149.13239	14.1
159.11671	16.4
161.13130	6.5
163.11217	5.7
169.10138	4.8
173.13272	8.8
184.07306	75.1
195.13725	7.3
235.16762	6.0
255.15834	13.6
261.22064	14.6
269.17459	42.7
275.19922	19.4
291.19528	13.0
292.19785	7.7
293.20459	5.2
309.20554	8.7
335.25766	100.0
336.26248	10.9
349.23737	19.1
366.23691	8.8
367.24396	8.8
371.26831	5.6
515.37073	12.4
529.38855	61.3
569.41791	11.9
599.52661	5.3
609.44971	14.7
627.45660	25.5
656.33911	4.9
670.13892	5.6
673.41388	5.5
696.82520	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	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.9
67.05502	52.5
69.07052	13.9
73.53452	4.2
79.05490	48.1
81.07045	46.7
83.08610	8.4
85.02938	5.4
86.09673	5.7
90.80440	3.5
91.05475	56.3
93.07034	47.0
95.04974	7.8
95.08606	41.8
97.10160	5.8
105.07023	100.0
107.08603	24.3
109.10129	10.8
117.07001	22.8
119.08567	37.0
121.10133	17.7
123.11693	7.5
123.34569	4.6
129.06979	17.1
131.08560	32.1
133.10123	26.0
135.08096	5.4
135.11691	12.7
141.06972	7.7
142.07765	5.5
143.08574	14.7
145.10094	25.7
147.11678	13.3
155.08533	7.0
157.10123	14.1
159.11685	16.0
161.13220	6.7
163.61990	4.7
167.08601	5.5
169.10112	12.3
171.11678	15.4
173.13194	10.9
181.10075	4.8
181.59175	3.9
183.11703	14.0
184.07332	10.3
185.13225	6.3
187.34720	4.2
197.13286	10.7
199.14706	4.0
229.42049	4.4
257.18970	5.1
259.20602	9.7
263.78119	4.5
282.18326	7.9
310.17993	6.4
319.57434	4.1
328.19125	7.9
333.24155	5.0
338.83475	4.4
402.22833	19.1
436.79419	4.4
517.40436	11.7
609.45001	85.1
644.42731	9.7
771.48590	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78553	1.7
61.02911	5.6
63.86971	1.8
65.03922	4.4
67.05498	89.0
68.18252	1.7
69.03415	10.1
69.07056	24.9
71.04983	5.7
73.20625	1.7
74.50907	1.7
74.83236	1.8
79.05485	64.7
81.03400	8.9
81.07053	93.5
83.04985	9.3
83.08622	13.7
85.02880	4.6
85.06522	4.0
86.09679	2.4
86.45656	1.8
91.04897	2.0
91.05472	46.8
93.07037	79.4
94.68059	1.7
95.04945	14.5
95.08597	67.2
97.02871	5.8
97.06528	12.1
97.10136	5.7
98.21596	3.7
99.08067	3.6
103.03954	2.0
105.07019	36.6
107.04980	4.1
107.08588	37.7
109.06481	8.0
109.10139	21.0
111.08066	3.5
115.05448	3.8
117.07011	21.6
117.19260	2.2
119.08575	31.7
121.06452	3.9
121.10135	31.0
123.08046	4.1
123.11665	6.3
124.99966	3.6
125.09602	2.5
127.03881	3.8
129.05452	2.3
129.06981	6.8
130.07826	1.9
131.08556	23.2
133.10123	28.7
135.08069	2.7
135.11685	19.8
137.09604	4.2
137.13228	2.7
143.08450	4.3
145.10104	20.3
147.11694	12.9
149.09610	5.8
149.13240	20.0
157.10150	3.5
159.11714	16.1
161.13263	7.4
163.11142	4.0
163.14815	2.6
169.10179	2.9
171.11665	3.6
173.04401	2.3
173.11894	2.9
173.13156	9.4
175.14713	2.3
177.12790	3.9
183.11694	4.1
184.07355	9.3
185.07680	2.4
185.13249	4.5
187.14859	3.0
195.13831	4.8
217.15903	2.3
219.17549	3.0
224.63184	2.0
229.14197	3.8
239.17818	2.6
243.21194	4.8
255.15936	6.5
257.18994	7.8
259.20508	2.8
261.22134	8.6
267.15714	3.5
269.17416	32.4
275.20041	27.0
277.21646	2.5
291.19357	2.3
293.21167	3.7
309.20544	2.6
317.24728	3.8
333.24213	2.0
335.25775	100.0
336.25940	2.9
349.23697	19.9
367.24786	4.1
515.37396	12.2
529.38867	58.7
569.41669	8.4
609.44897	18.8
627.45911	3.4
747.03961	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	822.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.5
65.03942	3.6
67.05167	3.5
67.05499	44.1
69.03424	4.2
69.07059	28.5
70.84696	2.8
70.85037	4.9
79.05489	35.7
81.03405	3.4
81.07050	42.9
83.04927	3.5
83.08604	10.2
86.09686	8.0
91.05468	18.8
93.07027	36.1
95.04948	9.2
95.08594	29.3
97.02898	6.7
97.06539	4.6
97.10152	8.0
105.07023	15.6
107.04940	4.1
107.08592	19.8
109.10149	12.3
111.08011	2.7
117.07021	6.7
119.08578	13.8
121.10136	17.6
123.11699	5.0
124.99994	7.6
125.09624	7.8
129.06970	2.5
131.08557	9.3
133.10095	9.8
135.08035	3.0
135.11694	6.8
143.08546	3.9
145.10077	8.1
147.08022	3.9
147.11710	3.2
149.13223	3.5
157.10167	2.5
158.21149	2.2
159.11717	3.7
161.13246	5.0
173.13211	2.2
184.07343	38.8
189.11316	3.4
223.13248	20.4
227.12810	2.5
238.98488	2.2
243.20932	3.2
251.73080	2.3
261.22122	7.9
273.18338	12.4
291.19510	96.0
335.25778	100.0
336.26129	2.5
365.19373	2.0
365.23163	52.3
365.26996	2.2
545.38922	2.8
550.48334	2.1
625.44586	88.4
626.44403	3.6
699.20319	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	821.415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	18.8
57.07084	0.8
61.02917	72.0
65.03920	1.6
67.05492	28.5
69.03421	27.1
69.03799	1.3
69.07065	5.8
69.44978	5.5
71.01328	3.6
71.04985	4.8
73.02907	18.2
75.04472	1.4
79.05483	19.8
81.03407	21.7
81.07044	29.3
83.01324	1.3
83.04959	3.7
83.08629	4.2
85.02894	100.0
85.06536	1.0
87.04453	3.1
91.03944	52.4
91.05463	13.4
91.06001	1.1
93.07028	22.4
95.04952	4.3
95.08595	23.4
97.02879	70.8
97.06536	1.8
97.10149	2.0
97.41458	0.8
97.73405	0.7
99.04443	11.4
101.02385	4.8
103.03930	9.1
105.07018	12.6
107.04962	1.5
107.08583	13.0
109.02855	12.0
109.06521	1.9
109.10149	9.2
111.04424	3.8
111.08064	1.0
115.03912	5.7
115.05407	0.8
117.05489	2.7
117.06979	5.3
119.08573	8.0
121.10127	11.3
123.08111	1.6
123.11701	4.7
127.03898	31.3
129.05473	4.1
129.07027	2.2
131.08553	9.8
133.10100	7.6
135.11656	8.7
137.05951	1.5
137.13202	1.9
139.03903	0.9
143.08524	1.9
145.04936	26.3
145.10120	6.1
147.11652	5.7
149.09650	1.0
149.13266	4.8
154.46359	0.7
155.07103	0.9
157.10115	1.6
159.06528	2.7
159.08054	0.8
159.11687	7.9
161.09613	0.7
161.13264	3.6
163.05994	16.0
163.11166	1.2
163.14853	1.5
165.12830	0.9
167.08495	0.8
169.10126	1.5
171.06612	2.0
171.11642	2.1
173.13229	5.9
183.06496	7.8
183.11604	1.4
185.13191	1.3
187.11172	1.3
187.14825	2.5
189.16399	1.1
191.14287	1.0
199.14899	1.3
201.07585	6.6
201.16411	1.2
217.15933	0.8
235.17024	1.0
241.07172	0.8
243.20999	6.1
259.20584	2.0
261.22092	15.2
279.22995	1.2
285.22089	1.5
291.23608	1.0
303.23169	2.9
315.23218	1.8
317.24893	2.0
317.39563	0.7
327.23328	2.4
335.25757	46.5
339.23456	0.9
341.24829	1.6
345.24411	1.3
351.23120	1.7
353.26947	1.8
363.25287	3.2
369.24252	3.8
377.26776	3.4
387.25302	1.8
405.26334	1.1
419.28229	1.4
443.27924	4.3
452.97467	0.8
461.29037	3.4
479.29996	8.6
497.31332	2.6
613.67432	0.8
723.18781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.5
61.71371	0.3
63.02341	0.3
65.03927	3.4
65.21422	0.3
68.86024	0.3
70.06576	0.7
70.78058	0.8
72.08124	1.1
74.84965	0.3
76.03133	0.5
76.54173	0.3
77.03893	1.0
79.05480	0.5
80.03791	0.3
83.11849	0.3
84.08134	8.0
89.03882	0.9
91.05473	35.1
95.04960	0.6
98.09668	0.5
100.70549	0.3
103.05442	1.2
105.03382	1.1
107.04917	0.3
108.05713	0.4
110.09682	1.2
112.11232	19.5
118.06549	0.6
119.04930	57.9
120.05254	0.5
121.02893	0.4
129.03326	0.8
129.13863	18.1
130.53041	0.3
131.04884	0.6
131.57903	0.3
132.02068	1.9
133.02802	0.8
134.03571	0.5
135.04391	1.2
136.05200	0.8
145.02820	1.3
146.03548	0.4
147.04395	52.8
148.04784	0.5
149.02348	1.6
155.11781	5.4
157.03935	4.2
160.01476	0.4
162.03143	0.4
163.03885	0.3
164.04654	1.4
167.07082	0.7
167.50069	0.4
174.05493	2.4
175.03886	96.3
176.04301	1.0
179.06998	4.0
179.08521	0.5
191.07042	0.6
192.04111	0.8
202.10931	0.5
206.08107	1.8
207.06502	100.0
208.06812	1.6
247.10735	2.0
248.09195	0.7
249.09889	0.9
263.13858	10.4
264.12274	69.8
265.12653	1.4
278.13855	0.8
335.19623	26.4
336.20050	0.9
352.22360	0.5
391.26859	0.4
409.28186	0.8
435.25989	0.7
541.25458	1.8
558.28088	0.7
597.32770	11.1
598.32904	0.7
615.33844	30.1
616.34314	1.8
803.37634	0.4
804.36963	1.4
821.39557	64.6
822.39856	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	818.576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.4
61.02899	3.4
66.16457	3.2
67.05505	40.2
67.05838	6.0
68.50514	3.0
69.07069	9.1
71.10183	7.6
79.05486	20.3
80.25293	3.1
81.07046	36.7
83.08601	5.3
86.09654	3.0
86.56572	3.1
91.05475	11.4
93.07040	21.1
93.07526	3.6
95.04979	4.3
95.08603	26.0
105.07011	13.5
107.08597	18.5
109.10138	17.0
109.89932	3.1
119.08575	11.3
121.10146	13.3
123.11720	6.1
131.08522	7.4
133.10110	10.0
135.11682	10.6
145.10066	5.6
147.11690	9.0
149.13281	4.9
159.11578	7.6
161.13277	4.6
163.14728	4.1
173.13293	5.4
184.07326	7.2
187.14836	5.5
241.19470	4.3
243.20952	5.6
259.20377	5.3
261.22055	18.7
281.52002	4.2
333.24185	4.8
335.25748	100.0
337.27130	5.8
406.62885	3.8
475.04913	3.9
595.47321	13.8
613.38776	3.9
613.48029	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	817.217
Annotation	CHEBI:75516
Peak:m/z	Relative Intensity
57.03411	0.4
63.02366	0.3
65.03927	2.1
66.30736	0.2
68.99792	0.2
69.03420	1.6
70.06551	0.2
71.04956	0.3
71.11206	0.5
77.03917	0.4
79.01828	0.2
79.05461	0.3
81.03404	4.9
85.02901	1.9
89.03890	0.8
90.04666	0.2
91.05465	23.6
95.04945	0.6
97.02872	0.5
99.04430	0.7
103.05449	0.8
105.03387	0.7
107.04916	0.4
109.02860	2.0
117.03339	0.2
118.04160	0.5
119.04919	33.8
120.05244	0.4
121.02832	0.8
127.03919	0.8
129.03345	0.7
131.04875	0.2
132.02065	1.4
133.02814	0.6
133.18419	0.2
135.04388	1.7
136.05203	0.4
137.02322	1.8
141.01759	0.3
143.03409	0.3
145.02814	0.9
146.03581	0.3
147.04381	31.7
148.04741	0.2
149.02309	2.0
153.01799	2.4
157.03943	2.3
161.02293	1.2
162.03000	0.3
163.03857	0.9
164.04701	1.0
165.01830	2.1
167.03349	1.7
175.03871	53.7
176.04279	0.7
177.01784	0.5
177.05432	0.5
179.03374	0.5
179.06999	2.2
181.04950	0.5
183.02850	2.2
187.03938	0.6
189.01775	0.4
191.03384	0.6
192.04111	1.1
195.02885	1.1
205.04962	0.6
207.06485	100.0
208.06952	1.0
215.03281	0.3
217.01338	0.3
219.02824	0.4
225.07559	0.3
231.02831	0.3
233.04466	0.2
245.04396	0.5
254.05385	0.2
255.06433	0.4
261.03879	0.6
262.48352	0.2
272.06787	0.4
277.03519	0.4
283.05981	4.2
283.09009	0.4
286.04669	1.4
287.05435	4.7
291.01074	0.2
295.05875	0.5
297.07535	3.0
299.05438	30.3
300.06177	4.8
301.06821	0.4
302.00705	0.4
303.01324	0.4
311.05508	5.7
311.09149	0.7
312.06320	0.2
313.03525	0.4
313.06790	1.0
321.07535	0.7
323.05453	0.9
324.06293	0.5
325.03415	0.6
325.06979	9.6
327.04721	0.4
329.06485	41.6
330.06818	0.6
337.07031	1.3
339.04715	0.4
339.08545	4.8
349.07120	1.4
351.04852	0.3
351.05780	0.3
351.10690	5.7
353.06491	15.0
365.06439	3.8
367.08112	0.9
369.11758	6.1
377.06500	2.9
383.07520	7.8
395.02725	0.4
395.07556	6.3
413.08575	6.3
431.09653	14.1
432.09952	0.3
446.52490	0.2
449.10706	16.5
611.16162	0.5
637.15240	0.3
655.16205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85024	0.8
61.61297	0.9
69.03420	35.5
70.44074	3.5
70.94074	0.8
71.04983	1.4
79.05468	1.4
81.03407	44.4
83.01315	1.6
85.02879	3.8
85.03354	0.9
89.03909	1.2
91.05463	1.7
97.02880	5.4
99.04437	3.2
101.02330	1.0
107.04936	1.8
109.02116	1.2
109.02866	23.5
111.04454	1.3
119.04951	1.3
119.37540	0.8
127.03903	15.0
129.57741	1.1
133.02812	3.7
135.04433	1.4
137.02277	1.2
145.02832	2.0
147.04391	4.6
148.04613	0.9
151.03854	1.8
157.02817	2.3
161.02296	3.2
163.03877	9.1
165.01801	2.7
173.02330	2.9
175.03809	2.5
177.01823	2.2
179.03323	3.6
181.01285	1.2
187.03909	5.5
189.01747	7.8
190.02538	1.8
191.03377	14.1
193.01274	3.5
193.04967	0.9
195.02783	0.9
201.01823	7.2
203.03369	4.9
205.01274	3.3
207.02853	10.2
213.01765	3.0
215.03374	5.2
217.01266	9.5
218.02034	1.1
219.02876	15.6
221.00758	2.1
221.04411	1.7
229.01302	6.1
230.02135	1.2
231.02853	19.3
233.00900	1.8
235.00012	1.2
235.02342	18.9
241.01260	2.7
245.00797	9.7
246.01497	2.2
247.02371	18.1
249.03880	1.3
251.01778	1.0
257.00739	8.5
258.01599	1.0
259.02356	30.5
261.00235	2.7
263.01892	9.2
273.00327	9.9
273.03464	1.6
274.00793	1.1
275.01794	18.5
276.02600	15.4
277.03397	95.2
278.03690	2.0
279.95419	1.0
285.00244	6.6
288.99725	1.6
289.03036	1.3
291.01294	3.9
291.04913	3.6
293.02737	2.1
300.99728	3.9
302.00488	10.8
303.01300	100.0
304.01642	2.1
305.02725	1.5
316.99207	2.4
318.00040	2.3
319.00766	12.6
321.02325	4.7
331.01016	0.9
335.00253	1.4
335.03964	2.2
337.01831	28.0
338.02353	1.1
445.03735	4.4
447.05371	2.1
463.05069	12.0
481.05957	3.8
783.06543	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	814.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.2
59.07390	0.1
60.08161	6.6
60.08470	0.3
67.05510	0.1
69.58081	1.1
69.98632	0.1
71.07365	3.8
79.05491	0.2
85.19159	0.1
86.09699	29.9
87.10026	0.2
91.05533	0.1
93.07043	0.2
98.98457	3.6
104.10748	1.9
124.99996	19.8
143.01030	0.4
166.02567	0.2
184.07326	100.0
185.07689	0.8
216.15767	0.1
440.09811	0.2
500.30933	0.2
500.78693	0.1
518.32739	0.2
778.53687	6.1
779.52924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4899
Annotation	Glabrin C
Peak:m/z	Relative Intensity
70.65626	11.1
224.96785	3.9
291.19653	3.2
470.17249	3.7
617.61029	4.0
709.26733	3.5
793.93988	4.3
813.49103	100.0
814.48651	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	813.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.5
61.02919	6.8
66.45744	1.2
67.05495	7.4
69.03432	5.2
69.07058	2.8
73.02910	5.4
79.05478	4.8
81.03404	1.2
81.07036	7.0
83.08643	1.1
85.02901	6.2
86.09689	2.7
91.03945	3.6
91.05484	3.6
93.07029	5.9
95.08601	4.9
97.02879	7.6
101.02404	1.9
105.07031	2.6
107.08603	3.3
109.02844	1.0
109.10155	1.3
117.07013	1.3
119.08579	2.5
121.10143	2.2
123.11738	1.3
125.00011	2.2
127.03981	2.0
133.10168	1.5
135.11714	2.1
182.80933	1.0
184.07339	7.9
185.04189	1.1
243.08432	1.7
268.06552	1.1
369.40677	1.0
378.84705	1.0
424.24646	1.2
519.29309	14.6
535.28729	4.4
813.51080	100.0
814.50867	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	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06632	0.5
60.08159	6.3
62.09208	0.1
68.96815	0.1
70.26903	0.5
71.07366	3.0
72.31999	0.1
79.05483	0.2
86.09700	29.4
87.10024	0.3
91.05427	0.2
93.07056	0.2
95.08639	0.1
98.98456	2.9
104.10734	2.2
116.99472	0.1
124.99998	18.6
143.01007	0.5
159.81636	0.1
168.83073	0.1
184.07327	100.0
185.07660	0.5
232.03447	0.1
275.34427	0.1
275.91974	0.1
294.84402	0.1
392.13046	0.1
415.00696	0.1
500.31207	0.2
776.52124	5.7
777.51550	0.3
812.51318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	19.8
61.02905	3.5
65.03909	3.6
67.05492	77.3
69.07052	12.9
70.85585	2.6
71.04967	4.3
71.25050	4.6
71.25388	3.7
79.05477	56.4
81.07043	71.2
83.08603	10.7
85.06534	4.8
85.47427	2.9
87.67538	3.4
91.05471	51.6
93.07030	62.7
95.04969	7.2
95.08598	52.8
96.05918	3.1
97.02918	4.0
97.06519	3.4
97.10175	4.4
104.37980	3.2
105.07010	36.1
107.08582	34.6
109.06499	3.1
109.10143	21.2
117.07006	10.9
119.08563	30.0
121.10125	25.7
123.11714	3.7
130.21304	2.8
131.08554	17.0
133.10123	17.4
135.11641	16.9
136.88228	3.3
143.08504	6.1
145.10124	11.5
147.11667	15.9
149.13245	7.6
150.51222	3.3
157.10132	5.3
159.11693	10.2
161.13235	8.8
163.14758	3.7
170.10817	3.4
171.11711	5.8
173.13197	8.7
175.14792	4.5
184.07352	4.1
185.13310	4.9
187.14822	4.6
205.15936	5.0
225.14780	3.3
241.19525	9.3
243.21089	3.9
259.20615	24.2
261.22128	8.6
277.21576	14.5
293.21042	4.7
333.24207	12.4
335.25751	100.0
351.15335	3.1
351.25345	31.0
418.79816	3.9
508.13452	3.4
529.38544	6.2
583.97620	3.3
596.86859	3.4
611.46497	35.3
699.74152	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	808.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	87.0
69.07063	23.0
70.90665	24.9
70.91041	20.8
79.05479	76.0
81.07051	90.3
91.05473	61.4
93.07030	78.1
95.04945	10.9
95.08602	52.2
99.53815	9.9
105.07000	59.5
107.08560	48.3
109.10162	24.7
117.07005	26.6
119.08567	34.0
121.10122	33.4
131.08534	34.2
133.10092	39.0
135.11626	16.4
145.10098	20.8
147.11636	36.0
157.10202	13.9
159.11612	26.3
168.82417	11.0
171.11768	15.1
181.09940	12.2
184.07405	16.5
241.19464	26.9
259.20547	63.7
333.24191	50.4
335.25778	100.0
335.68002	11.2
593.44928	16.3
611.46344	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	806.488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.2
59.04983	4.7
65.03977	4.1
67.05501	81.1
69.03421	13.4
69.07063	42.3
71.04979	20.5
71.59645	7.1
79.05487	64.0
81.03416	92.1
81.03852	8.3
81.07059	95.8
83.04979	15.3
83.08611	29.6
85.02899	6.6
85.06561	5.9
88.75085	4.0
91.05477	66.3
93.07046	57.4
95.04955	37.0
95.08614	40.0
95.17332	3.9
97.02896	7.6
97.06539	26.6
97.10167	26.7
97.64245	4.4
99.04480	4.1
105.07024	44.1
107.04951	17.1
107.08576	49.5
109.02834	4.2
109.06521	17.1
109.10172	23.1
111.04520	4.4
111.08097	9.2
115.07611	7.4
117.07020	16.9
119.08581	37.2
121.06500	13.6
121.10151	26.9
123.08044	10.4
123.11687	6.2
125.09631	21.5
129.06993	17.8
131.08571	35.2
133.06479	6.3
133.10127	34.5
135.08063	6.7
135.11708	10.1
137.09644	6.1
143.08554	10.4
145.10139	21.3
147.08018	6.3
147.11687	15.9
149.09631	17.6
149.13304	11.4
151.11220	4.8
157.10155	15.7
159.11679	15.8
163.11198	5.6
169.10129	7.2
171.11696	10.4
175.11212	10.8
177.12737	5.5
183.11633	6.4
184.07339	5.6
189.11223	12.3
193.12250	31.1
197.13171	5.4
204.58977	4.1
217.15808	5.9
227.12767	20.0
229.14366	5.0
241.03394	4.8
247.20740	5.1
253.14442	5.8
255.15930	11.5
257.19110	5.9
267.15918	100.0
269.17432	24.1
273.18762	6.6
275.20053	18.3
291.19452	10.0
299.20316	4.9
349.23831	26.3
351.23190	8.7
363.21768	6.5
365.22803	4.3
365.52917	4.4
388.53534	4.5
421.25858	5.0
431.29077	5.0
443.27719	9.3
447.27423	31.1
449.30362	7.8
461.18329	4.8
461.29019	77.5
467.31845	5.0
493.31693	10.4
495.33435	5.4
501.31433	4.3
516.62451	4.0
523.33728	5.8
525.17023	4.5
541.35217	69.2
559.36560	19.6
591.38892	8.0
685.15424	5.2
699.79602	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	805.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	4.3
57.03430	42.8
57.07059	5.2
61.02913	24.7
65.03934	8.6
67.05165	6.2
67.05495	71.2
69.03414	18.2
69.07053	31.1
70.05164	4.4
70.83757	13.5
71.04979	13.7
72.18299	4.1
72.85113	3.8
73.02892	7.8
79.05490	70.6
81.03391	21.1
81.07046	100.0
83.04980	12.0
83.08579	9.4
85.02898	26.7
85.06513	10.4
86.09670	7.6
86.87675	4.6
91.05470	61.4
93.07030	63.0
95.04983	25.2
95.08022	7.1
95.08588	59.6
97.02872	12.0
97.06511	23.8
97.10137	4.7
99.04394	5.6
99.08084	83.5
105.07018	52.2
105.63686	5.0
107.04943	27.3
107.08582	40.8
109.06512	34.4
109.10126	20.0
111.08064	8.8
115.05441	6.7
115.07571	6.6
117.07007	27.1
119.08559	40.1
121.06509	9.1
121.10136	29.0
123.08018	14.7
123.11699	5.6
124.99987	4.6
127.03928	5.7
127.07560	42.0
129.07005	17.3
131.08548	28.4
133.06432	4.9
133.10092	18.6
135.08034	19.9
135.11700	17.6
137.09557	6.7
142.07693	4.2
143.08562	12.6
145.10063	24.1
146.89935	4.9
147.08014	13.1
147.11661	12.3
149.09590	17.3
157.10120	11.0
159.08003	8.1
159.11723	11.5
161.09607	15.0
161.13313	6.2
163.11125	5.3
171.11649	12.4
173.09590	5.2
173.13202	9.5
175.11151	10.3
177.12656	5.5
179.10713	6.1
183.11594	7.6
184.07315	11.7
185.13272	10.1
217.15807	13.2
221.15369	7.9
227.17926	5.0
255.17587	6.3
261.22153	7.5
273.18472	66.0
275.20187	6.3
291.19415	45.2
335.25760	95.1
347.22101	14.8
365.23102	28.9
380.13162	4.8
607.43445	7.1
625.44177	39.8
643.45459	65.4
663.07574	5.1
747.41852	5.9
780.77972	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	805.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	24.6
57.07055	3.4
58.55561	2.8
65.03924	7.0
67.05498	84.9
69.03400	2.9
69.07054	16.7
70.77570	7.8
70.77928	5.9
71.04974	2.8
79.05485	43.3
81.07049	51.8
83.04951	4.1
83.08598	9.8
85.06518	10.3
91.05463	33.4
93.07026	42.0
95.04954	69.3
95.08601	37.3
97.06536	4.9
105.07015	32.0
107.04941	8.6
107.08578	29.0
109.06506	65.7
109.07232	4.8
109.10118	16.7
111.08055	5.0
113.05985	27.8
117.07005	16.1
119.08548	17.7
121.06477	6.7
121.10107	11.9
123.11671	3.3
128.06242	3.6
129.06973	8.5
129.55484	2.7
131.08539	22.9
133.06441	4.4
133.10103	12.0
135.08057	47.2
135.11665	10.3
137.05963	5.0
143.08540	10.3
145.10091	12.4
147.08002	8.0
147.11676	5.4
148.85785	3.2
149.09628	7.9
157.10086	7.1
159.11624	6.7
161.09615	6.1
169.10080	4.0
171.11514	3.0
173.13197	3.4
184.07414	7.4
195.13629	3.2
199.14821	4.1
217.15829	14.0
255.17152	3.9
273.18488	41.4
291.19516	100.0
309.20520	3.8
335.25775	87.8
336.26007	4.0
347.22116	9.3
365.23181	17.2
567.40082	4.8
607.43524	11.4
625.44653	65.4
626.44464	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.8
65.03936	1.6
67.05486	1.3
69.03429	2.0
70.06577	1.6
71.04975	0.8
71.60133	1.0
72.08130	0.8
79.05463	1.8
81.03413	1.8
81.07044	1.4
85.02903	3.3
89.03947	1.0
91.05470	2.4
93.07028	2.0
94.06563	3.4
95.07355	1.1
96.08118	4.1
97.02888	3.0
103.05484	1.4
105.07008	1.7
107.07306	1.0
108.04483	2.0
108.08114	9.1
109.02861	1.1
110.06071	0.9
110.09678	6.9
116.04963	2.1
118.06531	0.9
118.70703	1.0
120.04443	3.1
120.08122	6.8
122.06042	4.9
124.07590	5.6
127.03909	1.5
132.04398	0.8
134.05988	2.8
136.07581	8.1
138.09108	9.0
144.04437	5.4
146.06009	4.9
148.07567	3.1
150.09113	1.8
150.90938	0.9
152.07024	1.7
153.01790	1.1
155.27194	1.0
159.52748	0.9
160.03963	3.3
162.05501	3.6
164.07013	0.9
166.08629	12.3
170.47917	1.1
172.03925	21.5
172.07494	1.4
174.05519	2.3
176.07040	3.3
184.07643	0.9
190.04988	16.4
190.06554	1.6
197.10722	1.2
199.12323	2.1
204.06543	39.5
207.06474	1.2
209.10786	2.2
211.08611	4.7
211.12285	1.3
212.09363	2.0
213.10289	1.3
223.08670	1.1
223.12265	1.4
224.09366	1.6
225.10225	8.7
227.11757	12.9
236.09422	1.2
237.10233	2.8
238.10896	3.0
239.11778	3.9
241.09785	1.3
241.13377	1.4
245.12984	1.2
249.10201	1.4
251.11790	3.5
253.09639	4.8
253.13535	1.0
255.11188	1.9
264.08762	2.1
265.09726	2.0
266.10455	1.4
267.11243	2.8
269.12823	14.5
271.10730	8.7
273.12341	2.5
277.09665	1.0
278.10315	1.1
279.11285	4.0
281.13092	1.3
283.10648	5.2
284.11520	3.5
285.12231	5.0
286.13113	1.2
287.11221	1.4
287.13907	10.9
287.99524	1.0
295.10825	1.2
297.12360	8.6
299.13956	5.3
307.10907	1.5
309.12271	1.0
311.14352	1.2
312.14923	1.6
313.12338	1.0
314.12933	2.5
315.13849	1.3
316.14346	1.7
323.10336	5.5
325.11725	14.5
327.13391	2.4
327.17062	1.6
328.10767	2.5
328.14127	1.8
329.15295	1.3
330.15900	2.4
331.16614	1.9
339.13403	1.3
341.11621	1.5
342.12454	5.1
343.12897	8.6
344.13959	1.1
354.16135	1.3
356.13889	4.0
357.10077	1.6
357.14459	18.3
358.15408	3.6
370.15506	6.2
370.47440	1.0
371.16281	1.3
375.49030	1.2
382.11884	3.2
383.12320	1.6
384.13327	3.5
385.14215	3.0
386.14584	2.4
386.18732	3.2
387.15533	1.2
390.18121	3.5
397.14035	1.1
398.15015	17.4
399.15750	27.1
400.16693	2.1
402.18207	1.6
404.16068	5.1
412.16476	2.8
414.17996	3.5
416.16006	16.2
422.16776	2.0
428.15970	3.1
430.17581	3.0
440.15753	7.5
446.16943	9.5
457.16257	1.0
458.17151	24.7
460.18237	1.3
478.19711	1.6
487.16852	8.4
490.19781	7.8
519.19452	1.4
565.24579	1.4
567.25635	1.3
569.23987	4.5
583.25415	2.2
593.24023	5.2
611.24963	100.0
612.24939	2.7
643.27460	12.9
697.47131	1.0
745.30737	1.6
755.28552	1.4
773.30206	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72035	0.2
56.82082	0.2
69.03070	0.3
69.03423	4.0
71.04980	1.2
71.31906	0.4
77.50671	0.2
79.01847	5.8
80.05003	0.2
81.03409	11.6
83.51522	0.2
85.02879	0.8
86.87655	0.2
95.05051	0.2
96.04481	0.6
97.02879	4.6
99.04465	1.5
103.05429	0.6
107.01300	1.6
108.04478	4.5
109.02865	6.9
109.05239	0.4
114.48805	0.2
119.04871	0.3
123.00780	0.3
125.02322	4.3
126.05518	0.2
127.03903	4.6
131.04913	0.5
143.03384	8.7
144.06532	0.4
145.02887	0.3
147.04332	0.5
153.01810	100.0
153.02802	4.0
154.02151	0.6
157.02846	0.4
159.04417	0.6
163.03868	0.3
171.02875	3.5
173.02338	0.4
175.03899	0.9
185.02310	0.8
187.03882	2.8
191.03410	0.7
201.01688	1.1
203.03377	2.2
205.04901	0.4
213.01820	1.9
215.03386	3.4
229.01259	0.8
231.02853	13.3
232.03146	0.2
233.04449	0.6
240.64005	0.3
241.01250	1.9
247.02324	1.7
257.00797	1.6
259.02347	24.5
260.02628	0.5
261.03979	0.4
275.01855	2.0
276.02594	2.6
277.03400	84.7
278.03619	1.1
278.48978	0.2
279.05014	0.5
285.00241	0.8
289.03247	1.1
297.06015	4.8
303.01306	23.4
304.01697	0.3
305.02875	2.5
313.03580	0.3
315.01428	1.2
315.07117	1.5
320.03961	0.3
321.02353	3.4
328.99219	1.8
331.00793	5.4
337.03122	0.4
339.04913	0.4
349.01822	0.8
355.04382	0.6
357.05923	0.3
365.02554	0.5
383.03748	0.7
385.05432	0.3
393.02267	0.8
411.03555	2.3
429.04495	2.9
446.07040	0.4
447.05252	0.5
465.06970	0.2
469.35953	0.2
547.25153	0.2
600.96411	0.3
617.07654	13.3
618.08099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	22.3
60.77891	4.6
61.02915	9.0
65.03936	7.9
67.05167	6.3
67.05498	89.9
69.03416	7.3
69.07059	24.8
69.91952	4.0
70.50275	15.4
71.04980	4.6
79.05489	57.8
81.03431	9.9
81.07050	76.1
83.04961	7.0
83.08611	10.1
85.02908	7.3
85.06523	16.5
88.75644	4.2
91.05473	72.9
93.07034	76.3
95.04957	56.8
95.08595	51.1
97.02879	8.3
97.06531	11.6
97.10175	6.0
103.05434	6.8
105.07015	71.6
107.04953	22.2
107.08598	41.8
109.06509	58.8
109.10140	18.9
111.08089	4.9
113.06010	34.1
115.05360	6.0
117.07015	34.8
118.98051	4.4
119.08571	49.3
121.06465	7.0
121.10133	11.9
123.08035	9.6
128.06264	8.0
129.06964	11.4
131.08556	46.0
133.06479	6.3
133.10097	23.3
135.08009	30.8
135.11687	22.4
135.12619	4.8
141.07005	8.1
142.11110	4.9
143.08533	21.7
145.06522	8.8
145.10072	29.9
147.08066	10.2
147.11662	18.1
149.09613	9.0
149.13261	5.7
155.08524	8.9
156.28218	4.7
157.10101	17.4
159.08031	5.7
159.11703	29.4
161.09584	12.9
161.13261	15.3
163.11227	7.4
169.10083	9.5
171.11656	11.8
173.09612	6.5
173.13245	13.4
177.12671	8.4
180.30345	5.5
181.10085	7.4
183.11658	8.7
185.13310	7.9
187.11183	7.4
187.14810	6.4
195.11589	4.8
197.13152	4.8
199.14822	7.5
217.15878	13.2
231.76392	4.9
241.19466	11.3
254.65314	4.8
257.18961	6.4
259.20526	9.4
273.18500	23.6
275.20053	6.8
279.15903	18.4
279.37601	5.8
291.19510	61.2
333.24313	26.2
340.02222	5.8
347.22119	6.2
365.22983	9.8
395.09329	4.3
425.75372	4.7
513.36084	6.8
541.34894	5.5
543.36780	7.0
605.41492	17.4
623.43042	100.0
641.43805	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	801.2227
Annotation	CHEBI:75413
Peak:m/z	Relative Intensity
57.03394	0.3
63.02358	0.3
63.39918	0.3
65.03918	1.5
69.03418	1.1
71.04993	0.6
71.58848	0.3
71.59292	0.6
77.03929	0.5
79.01845	1.7
81.02972	0.5
81.03409	6.2
83.97681	0.3
84.08127	0.4
85.02895	2.0
89.03897	0.8
89.22710	0.3
91.05469	21.6
95.04956	0.6
97.02869	1.0
99.04453	0.7
103.05421	0.5
104.25613	0.2
105.03365	0.7
106.87676	0.2
107.01333	0.5
108.05718	0.3
109.02877	2.2
117.73136	0.3
118.04202	0.3
119.04929	30.7
120.05193	0.3
121.02867	2.2
125.02333	1.1
127.03919	1.6
129.03380	0.4
131.04913	0.6
132.02048	0.8
133.02824	0.9
135.04407	0.9
136.05174	0.4
143.03389	1.9
144.03754	0.5
145.02853	2.0
147.04390	29.1
149.02316	1.1
151.07602	0.3
153.01813	19.0
153.02899	1.0
154.02142	3.7
154.03311	0.5
155.02271	1.6
157.03958	2.3
162.03081	0.5
163.03935	1.3
164.04671	0.9
165.01830	1.5
167.03401	2.1
168.35341	0.3
169.01340	0.5
175.03885	50.1
176.04254	0.9
177.01848	0.4
177.05473	1.1
178.02731	0.3
179.06993	2.6
181.04958	0.5
183.02872	1.6
187.03908	0.6
189.01913	0.3
191.03435	0.4
192.04167	0.6
193.08525	0.3
195.02864	1.2
196.26636	0.2
205.04900	0.4
207.06500	100.0
208.06856	1.3
225.07422	0.5
229.04994	0.6
267.06451	4.3
270.05139	1.0
271.06000	4.9
277.03485	0.6
281.07974	2.5
283.05969	30.8
284.06659	4.1
295.06006	5.9
295.09543	0.8
297.04077	0.3
297.07501	1.0
305.07983	0.5
307.05829	0.6
308.06647	0.8
309.04135	0.5
309.07483	8.7
313.07010	43.3
314.07297	0.8
321.07562	0.9
323.05463	0.6
323.09030	5.3
324.10110	0.3
333.07434	1.2
337.07010	15.6
338.07458	0.4
349.07053	4.2
351.03812	0.5
351.10867	6.1
361.06973	3.1
363.84351	0.3
367.08102	9.3
369.11819	5.6
379.08099	6.9
397.09137	7.9
415.10181	15.0
433.11258	15.5
434.11414	0.5
463.87482	0.3
486.20871	0.3
577.16180	0.3
595.16241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53600	0.2
65.01835	0.2
69.03424	17.6
69.87762	0.8
69.88171	0.5
71.01344	0.2
76.18819	0.2
77.23243	0.2
79.05459	0.3
81.03413	13.7
85.02866	0.5
91.05447	0.5
97.02865	0.6
98.20770	0.2
99.04427	1.0
103.05418	0.7
105.03337	0.2
106.37893	0.2
107.04918	0.2
109.02877	5.2
117.03281	0.3
119.04917	0.5
127.03912	6.2
127.83223	0.2
129.03313	0.2
131.04869	0.8
133.02818	0.5
135.04344	0.5
143.03349	0.3
145.02834	0.4
147.04369	1.6
153.01831	2.2
157.02803	1.3
159.04373	0.2
161.02281	0.6
163.03905	1.5
171.00658	0.2
173.02310	0.8
175.03899	2.1
177.01730	0.2
179.03395	0.7
185.02338	1.6
187.03894	4.3
189.01784	1.8
191.03406	1.9
201.01768	0.7
203.03380	4.0
207.02803	1.3
213.01801	3.3
215.03374	3.1
217.01289	2.3
218.01886	0.6
219.02893	2.2
221.00800	0.4
229.01244	0.7
229.95004	0.2
230.01939	0.4
231.02863	18.7
235.02286	2.3
241.01302	3.1
245.00806	1.7
245.04543	0.2
247.02353	2.0
257.00769	1.0
259.02362	29.7
260.02768	0.4
263.01962	1.0
273.00287	1.9
274.00870	0.4
275.01907	2.1
276.02557	1.8
277.03412	100.0
278.03778	1.2
285.00241	0.6
291.01315	0.7
291.04810	0.2
293.02841	0.3
300.99710	0.8
302.00439	0.6
303.01324	10.5
304.01636	0.2
319.00809	2.4
321.02405	1.6
337.01813	3.9
338.02231	0.4
339.02426	0.3
420.63202	0.2
445.04025	5.2
463.05093	9.3
481.06110	1.7
594.32251	0.2
783.06769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99784	1.0
69.03417	7.7
70.78418	0.9
71.01327	0.5
71.04969	0.9
77.03917	0.7
79.01852	0.6
79.05489	1.7
80.22312	0.3
81.03404	53.3
82.03740	0.4
83.01321	0.6
84.08138	0.5
85.02895	1.3
89.03922	1.0
91.05473	1.0
95.01334	0.4
95.04958	0.6
97.02895	2.0
99.04439	1.9
105.03378	1.8
107.04938	1.8
109.02861	28.2
113.35490	0.3
117.03345	2.0
119.04959	0.8
123.04414	0.5
125.02367	0.7
127.03883	4.0
133.02834	4.7
135.04395	2.3
137.02321	1.3
143.03409	0.6
145.02852	2.2
147.04390	3.1
149.02359	0.8
151.03854	1.7
153.01799	7.7
153.02959	0.6
157.02866	0.4
161.02310	6.2
161.03545	0.5
162.03062	0.7
163.03879	14.0
165.01810	2.7
173.02292	3.5
175.03925	2.2
177.01845	1.3
177.05507	0.5
179.03378	4.2
181.01323	0.9
184.07336	0.5
185.02303	0.4
189.01801	12.8
190.02548	0.8
191.03362	16.6
192.04062	0.5
193.01315	2.5
195.02895	0.6
201.01801	5.8
203.03403	2.4
205.01286	0.9
207.02855	12.0
209.00838	0.4
209.04427	0.4
217.01286	22.5
218.01942	1.9
219.02844	18.4
220.03368	0.3
221.00774	5.2
221.04411	0.9
229.01303	3.1
231.02826	3.0
235.02336	28.9
236.02837	0.6
239.01764	3.1
245.00777	20.6
246.01454	0.9
247.02335	14.6
248.02708	0.5
249.04053	0.9
251.01906	0.4
257.00723	3.3
259.02371	1.3
263.01837	14.4
264.02316	0.4
271.99512	0.8
273.00247	21.3
274.01013	1.6
275.01825	17.7
276.02316	0.7
277.03391	2.5
278.03766	1.3
278.60037	0.4
279.03766	0.6
287.01639	0.4
291.01309	5.1
300.99741	9.3
301.03189	0.5
302.00409	0.8
303.01257	2.2
304.01627	1.1
305.02277	0.9
309.02411	1.2
313.18137	0.3
319.00781	17.3
320.01147	0.5
321.02377	0.4
337.01834	100.0
338.02328	1.4
351.03329	0.4
379.03030	0.6
427.02783	0.5
445.04016	2.5
463.05011	4.2
506.37912	0.3
537.12341	0.4
537.20508	0.3
781.05585	0.8
799.06110	30.7
800.06152	0.8
817.07422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.4
61.02919	9.7
65.03956	0.4
67.05497	8.0
69.03419	5.6
69.07060	1.7
71.01347	0.7
71.04991	0.9
71.30730	1.0
73.02911	8.3
73.03301	0.7
79.05484	5.4
81.03408	2.4
81.07050	8.4
83.05013	0.4
83.08596	0.9
85.02895	9.7
87.04482	0.5
91.03950	6.2
91.05476	2.6
93.07035	6.8
95.08597	5.6
95.67623	0.4
97.02882	7.8
97.06548	0.4
99.04438	1.2
101.02358	3.5
103.03921	0.7
105.07038	1.7
107.08578	3.0
109.02879	1.4
109.10159	2.8
115.03878	0.7
115.50786	0.3
117.07056	1.0
119.08607	1.5
119.30102	0.4
121.10139	2.7
123.11700	1.1
127.03876	2.5
131.08578	1.5
133.10133	1.3
135.11710	1.7
145.04964	0.4
145.10143	0.5
147.11734	0.8
149.13242	0.7
159.11639	0.6
161.13231	0.5
173.13208	0.5
184.07352	0.9
185.04219	1.1
191.32130	0.4
203.05263	1.1
208.10779	0.4
243.08409	3.2
259.08252	0.4
260.58975	0.3
307.87366	0.4
331.99448	0.4
335.25772	1.1
519.29266	16.1
519.37085	0.8
520.29541	0.5
529.49823	0.4
797.51642	100.0
798.52301	2.4
798.92792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84984	0.3
57.03420	0.5
59.02143	0.3
68.99758	0.5
69.03419	12.3
70.84608	1.0
71.01334	0.8
71.04967	1.2
73.02887	0.3
77.42322	0.3
79.05485	0.5
81.03408	15.2
83.01317	0.6
85.02890	2.6
86.09660	0.3
89.03912	1.0
90.60815	0.4
91.05459	1.9
92.60471	0.3
95.04945	0.4
97.02884	3.8
99.04453	1.8
99.05018	0.3
101.02364	0.5
103.05435	1.0
105.03365	0.9
107.04935	0.5
109.02862	10.3
110.03612	0.4
115.05433	0.3
117.03338	0.9
119.04909	0.8
121.02859	0.4
127.03907	5.2
129.03346	0.6
131.04915	1.0
133.02823	1.3
135.04379	0.8
145.02834	2.2
145.04987	0.4
146.03606	0.5
147.04405	3.6
149.05956	0.4
151.03903	0.4
153.00281	0.3
153.01762	1.5
157.02821	1.6
159.04356	0.7
161.02278	1.6
162.03174	0.5
163.03906	3.2
165.01775	0.6
165.05487	0.4
173.02324	3.4
174.03162	0.4
175.03891	3.7
177.01859	0.6
177.05470	0.9
181.01268	0.3
184.07329	0.5
185.02357	1.9
187.03880	5.0
189.01793	3.9
189.05392	0.3
190.02589	0.7
191.03397	4.8
193.04921	0.4
201.01794	12.0
202.02473	0.8
203.03366	7.1
204.03873	0.3
205.01402	0.8
205.04903	0.9
206.02072	0.6
207.01083	0.3
207.02904	1.3
213.01833	3.7
215.03368	3.4
217.01299	5.2
217.04822	0.5
218.01999	2.5
219.02870	6.5
220.03535	0.8
221.04416	0.8
229.01300	13.6
230.01913	0.9
231.02846	21.9
232.03207	0.4
233.04422	3.1
234.01550	0.5
235.02315	1.7
241.01248	3.3
245.00737	7.2
246.01506	1.8
247.02357	18.9
248.02800	0.5
249.03903	5.9
257.00769	12.4
258.01468	0.5
259.02344	34.4
260.02762	1.1
261.03906	12.3
262.01181	0.4
263.01849	2.0
263.05423	1.2
273.00272	5.7
275.01819	19.0
276.02579	5.0
277.03394	100.0
278.03754	2.4
279.05026	0.3
285.00281	5.8
289.00461	0.6
289.03372	6.2
291.01346	2.1
295.04434	0.7
300.99762	2.4
302.00497	0.5
303.01309	66.6
304.01697	1.9
305.02902	5.5
307.04489	0.8
313.03448	0.4
315.01385	0.6
317.02927	0.5
319.00623	1.5
321.02274	1.9
323.04138	0.7
328.99228	0.4
331.00778	1.6
333.02350	1.4
337.01904	1.0
341.02896	0.6
349.02011	0.4
350.99634	0.4
351.03403	2.3
389.04681	0.4
411.03757	0.8
429.04306	0.9
447.05502	2.2
477.06265	0.4
595.71625	0.4
797.08667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32790	0.4
63.42994	0.3
66.04163	0.3
68.99791	0.4
69.03419	15.3
71.01346	1.0
71.05017	0.9
71.81387	0.4
72.33276	0.3
72.39542	0.5
79.05466	0.5
81.03406	29.3
83.01327	0.7
85.02883	4.2
85.74065	0.4
89.03925	0.7
91.05474	1.0
95.01335	0.4
97.02869	3.6
99.04453	1.4
103.05461	1.2
105.03407	0.9
107.04930	1.1
109.02863	16.7
111.04448	0.8
113.27140	0.4
117.03365	1.1
119.04948	0.7
127.03905	5.2
129.03357	1.0
131.04909	0.7
133.02831	1.7
135.04408	0.9
136.82632	0.3
145.02846	1.4
145.04958	0.4
147.04390	2.2
151.03943	0.4
153.01857	0.8
157.02856	1.8
159.04471	0.5
161.02312	3.1
162.03085	0.8
163.03876	4.6
165.01822	0.8
173.02313	3.1
175.03874	3.0
177.01810	0.7
177.05396	0.7
178.02666	0.4
179.03372	1.7
181.01242	0.5
183.00815	0.4
185.02298	2.2
187.03879	5.5
189.01791	5.1
190.02570	1.8
191.03381	5.6
193.01332	1.2
201.01790	5.7
202.02606	0.8
203.03389	5.5
205.04854	0.6
206.02022	0.6
207.02808	4.4
209.00775	0.4
212.48038	0.3
213.01791	4.1
215.03340	4.6
216.00345	0.4
216.04099	0.4
217.01282	9.3
218.02045	5.5
219.02855	8.3
221.00816	1.9
221.04399	0.7
229.01288	5.9
230.02023	1.2
231.02853	22.7
232.03458	1.3
233.04390	1.5
234.01547	0.7
235.02330	13.2
236.02673	0.5
239.01764	1.9
241.01280	3.9
243.02826	1.0
245.00783	6.7
246.01569	1.1
247.02347	9.3
248.03009	0.6
249.03876	1.9
257.00793	8.2
258.01300	0.6
259.02344	33.6
260.02731	1.4
261.03915	1.6
262.01010	1.6
263.01840	4.6
271.02240	0.9
271.99564	0.4
273.00290	7.3
274.01031	3.9
274.98773	0.5
275.01825	14.9
276.02573	7.4
277.03394	100.0
278.03726	2.7
285.00305	6.4
286.01251	0.6
287.01782	2.0
288.02649	0.6
289.03372	4.2
291.01355	2.6
297.03967	0.5
300.99838	2.0
302.00485	1.4
303.01300	90.0
304.01767	3.4
305.02924	3.2
315.01450	1.0
316.99362	0.4
319.00830	5.6
321.02307	2.8
328.99387	0.7
331.00705	1.4
333.02402	6.3
349.01743	0.6
351.03415	29.2
352.03659	1.0
365.02924	0.4
375.03302	0.6
381.02383	0.4
385.05515	0.5
411.03253	0.6
421.03928	1.3
429.04343	1.9
445.03928	1.2
447.05484	1.0
459.04907	0.5
463.05106	0.8
477.06583	7.6
495.07401	1.1
797.08099	4.7
798.08368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.4
60.41601	0.3
69.03420	13.7
69.93687	2.0
71.01347	0.6
71.04977	0.6
81.03407	27.4
83.01343	0.6
85.02896	3.9
89.03895	0.4
91.05466	0.5
97.02883	2.5
99.04427	1.6
103.05446	1.1
105.03364	0.4
107.04932	0.4
109.02863	16.8
110.03152	0.3
111.04405	0.5
117.03322	0.8
119.04923	0.9
127.03903	5.3
129.03352	0.8
131.04883	1.1
133.02834	1.9
134.03600	0.4
137.02333	0.5
145.02826	1.0
147.04427	2.1
151.03908	0.7
157.02850	1.2
159.04358	0.7
161.02321	2.2
162.03122	1.0
163.03882	4.5
165.01811	1.1
173.02344	1.7
174.03131	0.4
175.03864	2.8
179.03363	1.0
185.02318	1.3
187.03851	3.8
188.00908	0.4
189.01805	4.4
190.02591	1.5
190.36639	0.3
191.03374	4.9
193.01376	0.6
201.01797	4.8
202.02570	1.1
203.03363	5.7
203.05168	0.6
204.70520	0.4
205.04941	0.5
207.02846	4.5
209.00870	0.5
211.00233	0.4
213.01768	2.8
215.03357	4.6
217.01265	5.8
218.02058	5.9
219.02873	7.2
221.00848	1.6
221.04364	0.6
229.01344	4.6
230.02000	1.2
231.02852	19.3
232.03468	1.1
233.04459	1.2
235.02338	10.1
237.25732	0.4
239.01868	1.8
241.01279	3.4
243.02875	0.7
245.00783	6.2
246.01563	0.7
247.02371	9.3
248.02898	0.6
249.03836	1.4
251.01866	0.5
257.00766	7.2
258.01508	0.8
259.02347	29.8
260.02805	1.4
261.03964	1.9
262.01035	1.1
263.01828	3.3
271.02402	0.8
271.99506	0.4
273.00281	6.7
274.00983	4.0
275.01816	12.0
276.02567	6.4
277.03397	100.0
278.03687	1.8
285.00287	5.5
287.01816	2.3
288.02496	1.3
289.03363	4.2
291.01486	2.2
291.04501	0.5
297.03973	0.5
300.99686	1.3
301.03000	0.4
302.00534	0.6
303.01303	89.7
304.01666	2.1
305.02863	3.1
315.01300	1.1
315.04596	0.5
319.00775	5.2
321.02350	2.7
328.99258	0.6
331.00842	1.1
333.02393	7.6
349.01901	0.6
351.03418	31.1
352.03650	0.7
355.04416	0.6
357.05655	0.4
365.02817	0.6
367.04321	0.7
385.05545	0.4
411.03500	0.9
421.03918	0.8
429.04297	1.5
445.03766	1.1
447.05548	1.2
449.06622	0.4
459.05380	0.9
463.05240	0.8
477.06580	7.3
478.06943	0.4
495.07416	1.1
524.30933	0.4
797.08380	4.6
798.06836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99770	0.7
69.03419	15.2
70.00609	2.0
70.06573	0.5
71.01340	1.0
71.04961	1.1
75.05983	0.4
79.05478	0.8
81.03406	32.5
82.09027	0.5
83.01318	1.4
85.02908	2.8
87.24796	0.4
89.03892	1.0
91.05441	1.2
95.01273	0.5
97.02889	3.3
98.20754	0.6
99.04420	2.0
101.02342	0.5
103.05446	0.7
105.03360	0.9
107.04926	1.1
109.02864	16.1
111.04430	0.9
117.03385	1.1
119.04927	1.1
127.03902	6.0
129.03381	1.1
131.04883	1.1
133.02835	2.2
135.04355	0.9
137.02296	0.6
145.02815	1.9
147.04410	2.5
151.03888	0.7
153.01797	0.9
157.02809	2.1
159.04395	0.8
161.02327	3.4
162.03108	1.0
163.03900	5.7
165.01819	1.3
173.02330	3.1
175.03842	2.8
178.02472	0.5
179.03334	2.3
185.02298	1.9
187.03886	6.1
189.01839	7.4
190.02531	0.7
191.03371	7.4
193.01263	1.2
198.34041	0.5
201.01794	7.6
202.02538	0.8
203.03369	6.2
205.04889	0.7
207.02861	4.2
209.00880	0.8
213.01845	4.2
215.03368	4.6
216.00351	0.6
217.01282	12.2
218.02023	4.0
219.02863	8.0
221.00786	2.0
221.04439	0.7
229.01271	6.7
230.02162	0.9
231.02855	24.3
232.03520	0.8
233.04425	1.5
234.01462	0.5
235.02328	11.3
236.02826	1.0
239.01817	0.7
241.01244	5.8
243.02817	0.5
245.00774	8.3
246.01630	1.2
247.02359	11.1
248.02904	0.8
249.03883	2.8
257.00772	9.2
258.01477	0.9
259.02338	35.5
260.02780	1.2
261.03952	1.4
262.00977	1.3
263.01935	5.4
273.00278	8.8
274.00989	1.8
275.01834	15.2
276.02570	7.1
277.03394	100.0
278.03714	3.7
285.00272	6.5
285.75970	0.5
287.01883	2.1
289.03458	2.2
291.01498	2.9
291.04385	0.5
297.03967	0.6
300.99893	4.5
302.00583	1.2
303.01300	91.7
304.01608	3.1
305.02866	3.9
305.06042	0.6
319.00815	6.7
321.02490	1.7
331.00616	1.6
333.02341	5.8
335.03915	0.9
349.01904	0.7
351.03412	29.1
352.03812	0.7
371.03641	0.6
411.03418	1.1
421.03833	1.6
429.04453	1.6
445.04059	1.4
447.05606	0.8
459.04990	0.8
463.05096	1.0
477.06555	6.0
495.07675	0.9
500.85825	0.5
797.08643	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	797.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
58.05819	0.4
66.17416	0.3
67.29887	0.3
69.03423	14.4
69.77357	1.0
69.77774	1.3
71.01348	1.0
71.04988	0.7
76.86721	0.3
79.05476	0.8
81.03410	27.9
82.03711	0.5
82.04200	0.4
83.01328	1.6
85.02898	4.3
89.03923	0.6
91.04947	0.3
91.05473	1.2
95.04941	0.6
97.02876	3.1
98.20713	0.4
99.04448	1.5
101.02342	0.5
103.05457	1.1
105.03413	0.8
105.72929	0.4
107.04926	0.8
109.02872	16.4
111.04408	0.5
116.03342	0.3
117.03379	0.7
119.04932	1.0
127.03905	5.6
129.03375	0.5
131.04916	1.4
133.02831	1.8
135.04445	0.6
140.04701	0.4
145.02827	1.2
146.03601	0.5
147.04422	2.3
153.01813	1.8
157.02844	1.4
159.04355	0.7
161.02321	2.8
162.03072	0.8
163.03899	4.6
165.01874	0.9
173.02371	2.7
174.03120	0.4
175.03862	3.2
177.01752	0.4
179.03348	1.9
185.02361	1.7
187.03882	5.0
189.01787	5.2
190.02597	1.6
191.03372	5.5
193.01329	1.1
201.01796	6.7
202.02516	0.8
203.03372	5.5
205.01297	0.5
207.02867	5.5
213.01822	3.9
215.03348	5.0
217.01326	6.6
218.02081	5.9
219.02875	8.2
221.00771	1.9
221.04407	0.7
229.01314	5.7
230.02034	1.1
231.02858	23.7
232.03537	1.4
233.04422	1.0
234.01598	1.0
235.02335	11.4
236.02776	0.5
239.01933	1.7
241.01285	4.1
243.02708	0.7
245.00749	6.2
245.04405	0.4
246.01472	1.1
247.02357	9.4
248.03029	0.8
249.03868	1.4
257.00784	8.5
258.01321	0.7
259.02353	33.7
260.02762	1.1
261.03976	1.5
262.01038	1.7
263.01840	3.5
273.00290	6.7
274.01080	4.3
275.01813	14.1
276.02612	8.0
277.03400	100.0
278.03824	2.2
285.00259	6.3
286.00955	0.4
287.01862	1.8
288.02563	1.2
289.03369	4.9
291.01306	3.1
291.04764	0.7
297.03738	0.4
300.99741	1.5
301.02914	0.4
302.00458	0.9
303.01312	89.3
304.01697	2.7
305.02817	3.9
315.01334	1.4
319.00836	5.9
319.04346	0.4
321.02258	2.6
331.00766	1.5
333.02383	8.1
341.02905	0.5
351.03430	30.2
352.03766	1.0
353.03186	0.4
389.04996	0.4
394.49063	0.4
399.03519	0.5
411.03345	1.0
421.03979	1.0
429.04575	1.6
445.03925	1.5
447.05597	0.7
459.05325	1.1
463.05261	0.7
477.06622	8.7
478.06903	0.4
495.07465	1.5
797.08252	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	795.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17736	0.9
56.92828	1.5
60.08167	5.9
67.05499	2.5
69.64722	3.6
69.65140	2.9
71.07369	2.2
79.05516	1.3
81.07063	2.5
86.09694	31.9
87.04452	1.8
87.10022	2.2
93.07009	1.3
97.02861	1.9
98.98449	3.2
104.10757	2.5
105.07001	1.3
109.52212	1.2
113.43253	0.9
124.99971	18.5
139.51994	1.3
184.07320	91.4
185.07683	9.8
285.09967	1.3
473.01566	1.0
519.28998	1.6
535.26727	1.3
616.12042	1.2
691.40161	18.6
777.52380	4.0
795.42566	100.0
795.54559	8.2
796.43256	11.2
824.26489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
59.04991	0.4
61.02927	4.5
65.03951	0.4
66.06252	0.3
67.05501	4.1
69.03429	3.2
69.07069	1.3
69.36341	3.8
71.04991	2.5
72.36298	0.3
73.02917	3.4
75.67245	0.3
79.05494	3.9
81.03421	3.3
81.07056	4.5
83.04969	0.7
83.08631	0.8
85.02904	4.3
85.06522	0.6
87.95350	0.4
91.03954	3.5
91.05482	4.5
93.07040	4.7
95.04975	1.2
95.08608	2.4
97.02909	3.8
97.06512	1.2
99.04449	1.4
101.02387	1.2
103.03948	0.5
105.07018	3.7
107.08588	3.1
109.02876	0.6
109.10201	1.0
117.07018	1.2
119.08575	2.4
121.10165	1.5
123.11745	0.9
123.98798	0.4
127.03940	0.9
129.07004	0.5
131.08582	1.5
133.10115	2.4
135.11691	0.9
145.10187	0.6
147.11745	1.1
149.02304	0.5
149.09605	0.6
149.13275	0.4
151.11169	0.5
157.10168	0.8
159.11687	0.8
161.13225	0.6
175.11136	0.4
184.07379	0.9
185.04289	0.7
185.07774	0.4
193.12225	0.6
229.05040	0.4
239.50275	0.4
243.08424	3.1
253.34570	0.5
259.08057	0.4
259.20633	0.5
267.15887	0.7
282.03204	0.4
283.15167	3.1
301.09149	0.7
315.10559	0.6
333.20404	1.0
381.19092	0.5
447.23480	0.4
465.21194	1.5
473.93698	0.4
485.23563	4.3
501.23077	6.7
535.28741	5.3
551.28131	1.7
573.25201	1.4
709.37732	0.5
795.44989	100.0
796.44891	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	796.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.9
58.06613	0.4
60.07870	0.5
60.08152	6.4
66.95011	0.3
71.07365	3.5
71.59100	0.5
76.12330	0.3
78.88997	0.3
79.20321	0.3
81.07027	0.3
83.04957	0.3
86.09692	29.6
93.80614	0.3
95.08568	0.3
95.28206	0.3
98.98447	3.3
104.10724	3.7
122.20361	0.3
124.99989	19.8
143.01079	0.5
184.07315	100.0
185.07602	0.6
195.00291	0.4
264.73117	0.3
286.87347	0.3
469.64178	0.4
624.43250	0.7
677.95612	0.4
719.31476	0.4
790.12592	0.5
796.54767	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	795.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
61.02909	1.9
65.14590	0.8
65.26774	0.7
67.05486	3.0
69.03423	1.4
70.49652	0.8
71.59407	1.4
73.02901	0.9
74.71590	0.7
75.86694	0.9
77.85838	0.7
79.05489	1.9
81.03419	1.0
81.07053	2.0
84.96009	0.8
85.02877	1.9
85.25327	0.8
87.04456	1.5
91.03957	1.5
91.05461	1.0
93.07014	1.4
95.08597	1.4
97.02882	2.0
107.08585	0.8
109.10146	3.2
109.58176	1.0
138.54378	0.8
162.35081	0.9
184.07326	1.7
221.15266	0.8
233.17082	0.9
285.10379	1.3
290.24332	0.8
393.99039	1.0
413.17801	2.5
493.34558	1.1
519.29370	3.1
691.40173	38.1
692.40179	1.1
729.47986	1.0
795.42584	100.0
795.54456	7.4
796.42639	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	792.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05260	1.5
55.05507	23.3
57.03436	10.4
57.07088	2.2
61.02908	4.4
65.03929	4.8
67.05500	80.5
69.03407	1.6
69.07065	18.0
71.04982	2.8
71.08609	1.0
71.37118	2.2
71.37977	1.0
74.93327	1.0
79.05487	52.2
81.03381	1.7
81.07050	79.0
83.04982	1.9
83.08614	10.0
85.02901	3.5
85.06525	2.4
90.19595	1.1
91.05472	32.8
93.07037	53.6
94.07340	1.4
95.04972	5.6
95.05512	1.1
95.08598	63.9
97.02872	1.8
97.06525	2.9
97.10144	4.1
99.08118	1.1
105.07026	25.4
107.08589	32.6
109.06525	1.4
109.10148	28.2
111.08064	2.1
111.90833	1.0
117.07005	7.8
119.08570	23.2
121.06453	1.5
121.10139	26.6
123.08072	1.8
123.11707	10.0
129.07004	1.6
131.08563	14.4
133.10123	16.0
135.11676	18.5
137.09639	1.2
137.13213	3.6
143.08578	2.5
145.10112	12.2
147.11697	11.6
149.13248	11.7
157.10150	2.0
159.11682	9.9
161.13208	9.5
163.11183	1.0
163.14807	6.1
171.11696	2.5
173.13260	7.8
175.14827	3.5
177.16408	2.2
185.13229	1.7
187.14775	5.2
189.16324	1.7
199.14819	1.7
200.70775	1.1
213.16499	1.4
215.17786	1.1
234.12276	1.1
241.19507	3.0
243.21017	7.3
259.20560	8.7
261.22122	18.4
263.23755	2.3
315.23285	1.3
317.24667	3.7
333.24185	5.5
335.25772	100.0
336.26242	2.3
337.27353	9.5
521.43573	2.6
595.47375	15.4
613.48364	11.2
634.41254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	2.4
63.02349	1.1
65.03370	0.5
65.03938	2.2
69.70991	0.7
69.71393	2.6
70.06576	0.8
72.08121	1.3
77.03928	0.8
78.04692	0.6
84.08130	10.8
85.71112	0.4
89.03903	12.0
91.05468	23.2
95.04937	0.9
98.09639	0.5
103.05418	0.8
105.03359	0.5
110.09638	1.4
112.11229	26.7
117.03362	23.7
118.04113	0.5
118.06528	0.6
119.04927	42.6
120.05265	0.6
121.06462	0.7
129.03368	0.5
129.13863	25.7
132.02090	1.0
134.03566	1.6
135.04401	2.7
136.05161	0.5
145.02827	52.2
146.03458	0.4
146.06029	0.8
147.04388	41.0
148.04669	0.5
149.02341	0.6
149.05965	6.9
155.11769	8.0
157.03931	3.1
162.03122	0.8
163.03868	0.8
164.04675	0.7
174.05464	3.9
175.03883	77.7
176.04243	0.7
177.05443	47.5
179.07040	2.8
186.05479	0.6
191.03473	0.6
206.08211	2.1
207.06499	95.9
225.98776	0.4
233.12820	0.9
234.11232	7.7
247.10773	1.6
248.09180	1.4
249.09908	0.8
263.13879	8.4
264.12265	84.2
265.12631	1.1
305.18546	3.1
333.17917	0.4
335.19598	26.4
336.20163	0.6
409.28027	1.1
435.26050	0.8
511.24332	1.2
528.27069	1.0
567.31659	2.2
585.32739	16.1
585.42090	0.8
597.32666	8.1
615.23773	0.9
615.33856	18.2
773.37665	0.6
774.36005	1.5
791.38483	100.0
792.38672	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	791.385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17292	0.6
58.06559	1.3
63.02346	1.1
65.03368	0.6
65.03611	0.7
65.03902	2.3
65.93681	0.5
70.81873	1.0
70.82207	1.1
72.08115	1.7
74.51219	0.6
81.27703	0.5
84.07692	0.9
84.08134	10.1
89.03909	10.7
90.04244	0.6
91.05468	27.9
95.04913	0.7
99.85321	0.5
103.01514	0.5
103.05426	1.4
105.17144	0.7
110.09637	1.8
112.11232	27.4
117.03362	24.7
117.04066	0.3
117.04226	0.7
119.04926	45.2
129.13860	22.7
132.02019	1.7
133.02792	0.6
134.03581	2.1
135.04343	1.7
145.02826	57.9
146.05986	1.2
147.04390	44.8
149.02321	1.2
149.05940	6.7
155.11763	8.0
157.03954	2.8
163.03860	1.3
164.04698	1.1
174.05461	3.6
175.03883	88.8
176.04303	0.7
177.05446	56.3
179.06938	3.2
185.76955	0.6
186.05414	1.2
191.06924	1.0
192.04251	0.9
206.08090	3.1
207.06500	100.0
208.06847	0.7
218.10309	0.8
233.12814	2.2
234.11224	14.8
247.10712	2.2
248.09061	1.6
263.13879	12.4
264.12274	79.9
265.12579	1.5
305.18527	5.5
335.19604	28.5
336.19836	0.7
357.92789	0.7
409.27994	0.8
435.26147	0.8
511.24564	1.3
567.31537	5.2
568.30823	0.7
585.32751	19.9
597.32782	10.2
615.33868	13.4
774.35681	1.5
791.38495	99.9
792.38361	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	790.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.8
58.06594	0.5
59.52679	0.5
60.08156	6.3
69.90759	2.4
71.07364	4.4
77.83831	0.4
86.09696	31.8
98.98467	3.3
104.10712	2.9
124.99988	21.4
126.09595	0.5
143.01050	0.9
184.07317	100.0
185.07556	0.6
236.03107	0.4
532.32721	0.5
652.58295	0.5
690.46985	1.3
745.85236	0.5
772.54559	0.7
776.36993	0.5
790.55621	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	791.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03434	0.6
58.57304	0.5
66.03464	0.7
67.05501	1.2
69.03418	1.8
70.06579	0.8
71.21477	1.2
73.59738	0.4
79.05494	1.4
80.04995	0.6
81.03403	1.5
81.07060	0.7
82.06584	0.6
85.02878	2.8
91.05470	2.6
93.03394	2.0
93.07038	2.3
94.06560	5.1
95.04980	0.6
95.07338	1.6
96.08125	5.0
97.02881	1.3
97.06575	0.5
103.05473	0.6
105.07023	0.6
106.06572	1.3
107.07323	0.8
107.08540	0.5
108.04493	3.5
108.08126	5.8
109.02861	0.8
110.09683	6.4
112.11254	0.7
118.06564	1.5
119.04939	0.5
120.04480	3.7
120.08113	5.6
122.06026	6.1
122.09660	2.1
124.07586	8.7
125.48978	0.5
129.13870	0.5
134.06023	3.6
136.07581	5.4
138.05482	0.8
138.09131	10.1
144.04405	1.1
145.02814	0.7
146.06004	71.7
147.04425	1.1
148.07561	5.3
150.09148	2.1
152.07097	2.7
153.01869	0.7
158.09653	0.5
160.03934	0.8
160.07590	0.7
162.05470	1.4
164.07071	1.6
166.08635	17.2
167.07115	0.7
170.09695	0.6
172.03967	5.1
172.07526	1.1
174.09035	0.6
175.03937	1.1
176.07097	1.1
177.05516	0.5
177.71115	0.5
181.05002	0.7
182.09724	0.8
182.39931	0.5
183.09148	0.8
184.09879	0.8
185.10750	1.0
186.09180	1.0
187.08736	0.5
190.04985	16.6
190.06731	0.8
197.10779	2.1
198.11485	0.6
199.08696	0.8
199.12315	1.6
207.03056	0.5
207.06564	1.3
207.09286	0.5
208.28264	0.5
209.10765	1.7
210.11339	0.6
211.08623	4.7
211.12222	1.5
212.09433	1.7
213.10190	0.6
223.08646	0.7
223.12326	1.5
224.09312	1.4
224.12840	0.5
225.10254	5.2
225.13808	0.9
226.10921	1.1
227.11780	13.3
229.13303	0.7
235.12357	0.6
236.09378	1.2
237.10248	3.5
238.10947	1.7
239.11787	3.5
240.12549	0.9
241.09727	1.0
241.13416	2.0
242.11852	0.5
249.10161	0.6
250.10863	0.7
251.07986	0.6
251.11792	3.2
252.12465	1.2
253.09758	1.8
253.13344	5.5
255.11320	1.6
257.12759	0.8
264.08850	1.1
264.12253	1.0
265.09674	1.3
265.13239	0.5
267.11334	1.1
269.12839	6.3
270.10120	0.7
271.10843	3.0
271.14423	9.0
273.12314	3.2
277.09961	0.7
279.11288	2.2
280.11902	0.6
281.12836	3.8
283.10828	2.6
284.11511	2.7
285.12332	7.0
286.12949	2.4
287.13895	23.4
289.13229	0.7
290.12646	0.6
293.12753	0.7
295.10800	1.2
297.12302	8.5
298.13202	1.0
299.13892	100.0
300.14398	1.7
301.12372	0.8
302.13037	0.8
304.14313	0.7
307.10754	0.6
311.13943	1.9
312.14621	0.7
314.12915	2.0
315.13626	2.8
316.11182	0.9
316.14340	4.0
321.12189	0.9
323.10175	2.2
325.11823	5.7
326.16614	0.8
328.10718	1.0
328.14478	1.4
329.15579	1.6
330.16055	5.4
331.16806	4.6
339.13367	2.0
340.14511	0.8
342.12189	2.3
343.12933	4.2
343.16595	0.7
344.13812	1.1
344.17587	1.9
346.19125	1.2
354.16345	0.7
356.13834	3.0
357.14722	1.5
358.15469	5.8
358.19406	0.7
359.16299	1.4
360.17023	0.7
370.15427	1.6
371.16129	1.1
372.17041	3.8
373.17874	4.1
378.18106	8.3
379.18851	0.6
380.13983	0.8
382.11911	1.0
383.12381	0.9
384.13211	1.1
386.18582	1.7
388.16196	0.7
390.18179	6.7
398.15036	4.9
399.15778	7.3
400.16769	0.8
402.18167	3.3
404.15942	1.2
414.18097	5.5
416.15958	5.0
417.16168	0.6
420.19116	11.2
421.19937	0.6
428.16107	0.6
430.17743	0.7
432.19189	34.6
433.19690	0.7
440.16162	1.7
446.17090	2.5
458.17090	6.4
461.19019	3.5
476.18225	1.3
487.17072	2.0
525.24432	0.6
539.26239	1.1
567.25970	3.9
569.24164	0.8
584.25439	0.6
585.27045	45.3
586.27368	1.3
593.23877	2.3
611.24902	21.8
612.25146	0.6
615.33276	0.6
629.25861	1.0
747.31976	1.6
773.30414	5.6
791.38385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.9
55.05502	27.0
57.03416	21.1
57.07055	3.3
57.85529	3.5
61.02917	4.2
67.05495	74.0
69.03410	8.5
69.07047	21.3
71.04993	28.8
79.05483	64.4
81.03419	34.4
81.07047	95.0
83.04953	8.8
83.08627	22.0
85.02889	7.5
85.06518	10.3
86.09686	6.2
90.22073	3.9
91.05472	86.6
93.07035	62.2
95.04942	24.9
95.08603	33.4
97.06528	9.7
97.10162	9.7
103.05363	3.5
105.06369	5.6
105.07015	63.1
107.04980	8.4
107.08581	31.8
109.06506	9.3
109.10128	26.8
117.06989	28.4
119.08550	47.3
121.06474	4.7
121.10165	22.9
123.08095	3.9
123.11684	9.3
125.09671	8.3
129.07001	17.4
131.08546	37.3
133.06424	5.0
133.10121	40.8
135.08020	4.7
135.11697	12.9
137.05908	3.4
141.07047	3.6
143.08505	18.4
145.10120	33.5
147.11734	25.2
149.09573	6.3
149.13254	5.9
151.11198	9.7
155.08551	6.4
157.10135	16.9
159.11658	24.0
161.13220	8.8
163.11142	4.5
169.10077	8.9
171.11646	11.4
173.13257	10.9
183.11682	12.5
183.13817	3.9
184.07309	14.3
185.13257	21.8
187.14789	3.8
189.11195	5.8
193.12329	8.2
195.11688	5.7
197.13263	10.5
199.14821	5.0
201.14746	4.9
227.12762	12.5
239.18056	4.8
257.18967	12.6
259.20532	12.4
267.15878	14.2
269.17319	9.1
275.19965	22.5
291.19705	4.9
301.20041	25.9
314.80560	4.0
331.22577	8.0
333.24261	8.5
349.23712	16.9
364.64230	4.2
365.23544	3.9
421.25580	4.0
433.30835	9.4
449.28925	4.8
451.31860	12.0
469.32913	6.9
499.34360	20.8
517.35291	36.3
525.35754	53.6
531.36414	9.9
543.36749	100.0
557.38269	14.2
575.39435	26.3
791.40607	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	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.8
55.05511	18.9
55.31573	1.7
57.03434	9.4
57.07061	4.1
59.04999	2.1
61.02927	2.8
67.05502	72.6
69.03419	5.4
69.07061	25.8
71.04990	32.0
71.59702	2.2
79.05488	47.6
80.07404	1.7
81.03430	9.1
81.07053	100.0
82.07367	1.6
83.04982	11.1
83.08619	11.6
84.38628	1.8
85.02917	6.6
85.06541	6.8
86.09691	5.0
91.05471	39.9
93.07041	37.5
95.04953	10.8
95.08598	24.1
97.02872	3.1
97.06532	12.0
97.10155	8.2
99.08109	2.9
105.07026	27.4
107.04945	4.9
107.08591	33.0
108.08893	1.9
109.06502	6.1
109.10154	10.8
111.08091	5.8
113.09605	2.9
117.06966	11.4
119.08594	16.2
121.06468	2.1
121.10133	11.6
123.11712	14.6
124.99951	4.7
125.09635	5.8
127.03944	3.2
130.07773	2.5
131.08548	14.5
133.10114	29.4
135.08023	3.1
135.11693	8.4
137.09662	2.0
143.08563	2.2
145.10135	7.4
147.11696	5.7
149.09613	7.7
149.13245	9.3
151.11154	8.8
157.10178	2.0
157.17171	2.6
159.11685	12.9
161.13292	3.3
163.11160	5.5
169.10173	2.0
171.11650	3.4
173.13242	2.4
177.12749	4.2
179.14326	3.0
183.13736	3.1
184.07359	18.3
185.13268	2.7
187.13260	2.7
195.13802	3.0
225.14914	2.3
227.12769	9.8
229.19377	2.7
243.15944	4.7
247.88034	2.5
269.17548	12.7
275.20047	19.6
301.20026	24.7
347.16205	2.2
349.23746	10.5
367.24857	2.4
423.27493	4.6
437.28882	20.1
449.29089	13.2
451.30560	6.4
463.30408	16.9
481.31549	5.8
495.33047	28.9
499.34183	4.2
517.35272	39.6
531.36566	4.4
543.36798	16.6
575.39587	18.3
607.34808	2.7
726.83392	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	790.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.0
55.05504	31.8
57.03435	21.2
57.07069	4.2
59.04992	30.0
61.32992	1.9
65.03948	3.7
67.05499	100.0
69.03414	5.2
69.07066	13.4
70.84126	1.9
71.04990	11.4
71.11627	5.9
75.88754	1.8
79.05483	40.4
81.03423	4.3
81.07050	50.2
83.04945	3.5
83.08609	13.4
83.64845	1.7
85.02887	7.3
85.06521	3.3
87.04457	50.3
87.04959	3.7
89.06006	4.7
91.05474	24.3
93.07034	39.9
95.04958	5.5
95.08599	33.2
97.06522	4.1
97.10162	15.4
99.04433	14.0
105.07021	14.6
107.04949	3.4
107.08574	24.5
109.09455	3.7
109.10146	46.6
111.08057	2.9
115.03941	2.0
117.06995	6.6
119.08563	14.2
121.10131	16.0
123.11661	3.8
125.09632	16.3
131.08502	11.5
133.08595	2.4
133.10066	9.6
135.11664	10.8
137.09599	6.0
137.13274	2.4
143.10620	3.4
145.10071	3.2
147.11658	5.7
149.13220	4.5
157.10103	2.6
159.11694	5.7
161.13200	2.9
163.11150	4.6
163.14897	2.2
171.11780	2.9
173.11740	17.9
173.13158	4.7
175.14801	2.7
184.07289	4.7
193.12184	2.5
199.13242	10.7
227.12708	5.2
229.14297	28.0
241.14265	4.3
257.13818	2.3
261.22101	10.0
267.15878	6.3
315.18015	7.3
317.24814	2.7
329.34891	2.2
335.25787	52.9
363.25000	4.0
477.35583	18.1
489.35745	40.8
491.37186	7.1
543.36536	3.0
593.40192	2.5
613.48090	3.0
631.49072	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	790.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.0
55.05262	2.1
55.05505	33.3
57.03427	18.6
57.07059	17.5
59.04994	32.7
61.02909	4.8
65.03914	4.5
67.05497	100.0
67.38072	1.8
69.03397	6.3
69.07060	19.4
71.04987	14.8
71.08629	15.4
71.24329	1.7
73.02902	2.5
73.06521	2.6
79.05484	45.3
81.03394	7.9
81.07045	60.2
82.07366	1.6
83.04947	5.5
83.08607	17.9
85.02885	5.9
85.06514	2.9
85.10157	6.7
86.09672	2.9
87.04456	49.3
89.06021	25.7
91.05464	28.0
93.07031	39.4
94.07341	2.0
95.04945	8.9
95.08598	38.8
97.02852	4.8
97.06496	4.3
97.10168	16.2
99.04443	13.8
102.56203	1.8
105.07006	16.7
107.08585	30.9
109.09457	3.5
109.10148	48.2
111.04397	2.8
111.08070	4.9
111.11711	2.4
117.06990	6.4
119.08571	20.6
121.06516	3.3
121.10127	17.2
123.08016	3.0
123.11695	4.1
124.99961	1.9
125.09624	12.8
129.07005	2.2
131.08548	9.7
133.08607	19.5
133.10114	11.2
135.11671	15.0
137.09587	2.8
137.13326	2.5
140.68793	1.9
145.10094	7.1
147.11641	6.4
149.09622	2.5
149.13205	5.3
151.11194	3.3
151.21376	1.7
157.10078	2.5
159.11697	5.6
161.13234	5.4
163.11150	5.0
163.14813	3.5
169.10059	2.6
173.11710	15.2
173.13148	4.2
175.11223	1.6
175.14713	2.3
177.11188	9.1
181.83525	1.6
184.07292	5.9
199.13312	7.2
221.13823	2.3
227.12712	5.5
229.14326	33.9
241.14232	2.2
243.21091	4.5
257.13852	2.1
259.15060	1.9
259.20566	3.5
261.22098	11.4
267.15875	5.3
275.20032	2.5
276.20370	2.1
277.21423	3.3
284.29239	2.9
315.18015	3.7
335.25726	48.6
336.26074	3.4
363.25336	3.7
379.93048	2.5
421.11499	2.0
477.35580	11.3
489.35727	40.4
531.40387	12.8
613.48151	7.5
631.49017	4.7
654.40820	2.7
757.38885	2.0
790.41687	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	789.2073
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01844	0.2
55.05493	0.3
57.03424	1.5
58.56286	0.2
61.02917	1.3
68.99772	0.7
69.03403	0.7
70.50426	0.6
71.04984	9.4
73.02892	0.5
75.04461	0.5
75.43621	0.1
77.95117	0.2
81.03396	0.4
83.04959	0.6
85.02896	12.0
87.04456	0.3
91.03961	0.9
97.02886	1.1
99.04414	0.3
109.02862	1.1
111.00800	1.7
111.04428	0.6
115.01154	0.2
116.98602	0.2
125.02351	0.4
126.03130	0.2
127.03920	0.9
129.05467	2.9
137.02332	1.5
139.03828	0.3
145.02792	0.2
145.04919	0.5
147.04384	0.6
147.06493	0.5
153.01808	8.5
153.05444	0.2
165.01828	3.1
166.02580	0.5
170.44154	0.1
171.13342	0.2
177.05475	0.4
179.03404	1.3
183.02884	1.0
189.05498	0.3
193.01286	0.3
195.02850	0.5
199.03902	0.3
203.03436	0.4
205.05096	0.2
207.02850	0.4
217.04916	2.1
227.03278	0.3
229.04967	0.2
231.02831	0.5
231.05032	0.2
235.02385	0.5
239.01869	0.2
245.04431	4.0
255.02850	0.6
259.02399	0.3
263.05527	0.7
272.03076	0.2
273.03906	4.5
277.03391	0.5
290.04227	1.1
291.04984	0.2
301.03299	1.0
303.01331	0.6
319.04440	100.0
320.04745	1.8
331.04520	0.2
361.05457	0.6
385.05341	0.4
465.10181	0.3
481.09729	19.0
482.10379	0.4
689.05658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.1
55.05503	30.6
57.03429	11.9
57.07058	4.1
59.04975	2.0
60.34837	1.9
61.02916	11.9
65.03915	5.0
67.05495	58.4
69.03432	13.4
69.07055	22.9
71.04972	3.1
72.85996	1.7
73.02898	5.7
79.05054	2.8
79.05483	38.4
81.03412	11.2
81.07048	51.4
83.04960	7.6
83.08610	14.7
85.02888	13.4
85.06546	2.8
89.02836	2.0
91.03936	7.9
91.05473	38.0
93.07030	41.4
95.04973	10.1
95.08593	35.4
97.02889	11.3
97.06503	14.4
97.10162	12.7
99.04432	3.4
103.05409	2.4
105.07019	37.2
107.04919	5.2
107.08583	29.1
109.06514	4.8
109.10144	21.2
111.08042	3.3
115.05420	3.5
117.07005	22.9
119.07788	2.5
119.08573	34.2
121.06477	2.2
121.10130	16.3
123.08028	3.4
123.11667	7.6
124.13953	2.1
125.09613	9.1
127.03918	3.5
128.06206	6.0
129.06990	17.8
131.08543	26.5
133.06410	3.4
133.10100	23.0
135.08009	4.2
135.11670	9.9
137.09595	3.5
139.11230	2.2
141.06976	6.0
142.07753	5.8
143.08563	18.1
145.10095	25.4
147.08006	3.4
147.11685	11.7
149.02296	8.0
149.09586	6.3
149.13226	5.0
153.06996	2.5
154.07736	3.2
155.08553	10.4
157.10115	16.4
158.10983	2.7
159.08017	2.5
159.11700	20.5
161.09563	4.6
161.13237	7.4
163.11118	4.7
163.14738	3.4
165.07025	2.3
167.08542	6.0
168.09309	2.6
169.10086	15.5
171.11641	14.7
173.09564	2.3
173.11792	3.1
173.13234	9.8
175.11142	3.9
175.14806	3.9
179.08478	3.6
181.10138	9.0
183.11655	20.5
185.13225	12.4
187.14818	5.0
189.11203	2.7
193.04922	5.0
193.10100	4.3
194.05243	2.6
195.11668	8.4
197.13217	11.8
199.14818	9.8
201.16380	2.5
204.09033	1.9
207.11668	3.9
209.13173	6.2
211.11310	1.8
211.14803	7.2
213.12680	3.3
213.16348	4.8
219.11655	2.6
221.13336	4.7
223.14877	6.4
225.16415	4.6
227.12732	7.2
227.19983	4.4
229.14244	3.5
235.14906	2.1
237.16327	2.6
239.17969	2.6
241.19501	3.0
243.15695	3.3
251.17999	3.6
253.19386	3.2
255.17293	2.3
257.18915	4.4
259.20566	7.7
261.22040	2.8
273.18506	2.5
275.20132	11.4
283.20395	2.7
286.84073	1.8
291.19464	3.5
311.23557	2.5
313.21481	2.2
329.24716	1.9
331.94794	2.0
333.24176	4.6
335.25668	4.9
349.23773	5.7
365.28195	2.4
379.29819	2.7
381.31592	2.6
383.29294	2.8
421.30930	3.1
439.32132	3.5
495.34042	2.6
513.35657	27.1
515.38483	3.5
527.37543	3.6
533.39478	5.1
551.40369	5.1
555.36176	2.1
607.34039	3.1
607.43506	44.3
625.44525	100.0
626.44995	3.4
751.47107	4.5
769.48804	4.7
787.50085	14.5
813.81433	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	787.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	14.4
55.05505	34.8
57.03444	17.3
57.07070	8.3
61.02931	19.3
65.03947	6.3
65.17038	3.1
67.05501	76.6
69.03443	18.6
69.07069	29.7
71.04983	10.0
71.08627	5.0
71.59650	4.4
73.02900	7.0
74.09252	3.4
79.05490	60.0
80.35746	3.9
81.03394	22.3
81.07054	67.9
83.04975	10.6
83.08624	21.7
85.02905	18.8
85.06540	11.1
87.04472	5.6
88.36843	3.2
89.06033	9.6
91.03924	8.2
91.05475	59.1
93.07042	61.1
95.04971	16.6
95.08596	53.3
97.02882	19.4
97.06520	16.5
97.10172	10.5
99.08059	6.8
105.07031	43.0
107.04946	9.1
107.08583	32.7
109.02819	4.1
109.06519	18.0
109.10142	24.1
115.05439	5.5
117.07019	25.8
119.08567	43.9
121.06536	8.6
121.10151	27.3
123.08102	8.3
123.11729	6.6
125.09614	7.6
127.03894	8.0
128.06203	7.2
129.06992	27.7
130.10614	3.1
130.39395	3.7
131.08556	43.7
133.06511	4.7
133.10126	29.9
135.08049	9.9
135.11688	21.5
137.09682	6.5
141.06964	14.4
143.08583	28.6
144.09309	4.0
145.10109	35.7
147.08046	6.0
147.11671	15.7
149.09595	6.9
149.13245	4.4
155.08514	19.0
157.10126	28.4
159.08047	5.3
159.11687	22.5
160.46532	3.7
161.09653	4.5
161.13258	10.7
163.11200	4.9
166.07799	5.0
167.08531	12.9
169.10133	29.3
171.11708	28.7
173.11850	5.7
173.13309	15.7
175.14757	4.2
179.08430	5.7
181.10107	17.6
183.11707	29.8
184.07343	4.9
185.13214	19.5
187.14955	5.1
195.11674	18.3
197.13278	13.8
199.14883	9.3
207.11626	8.5
209.13255	11.7
211.14796	11.7
213.16417	7.5
217.15877	4.1
221.13329	10.0
223.14871	6.2
225.16417	9.1
227.12790	5.5
227.19931	24.5
228.20424	15.3
233.13109	4.7
235.14865	5.7
237.16405	7.8
241.19591	4.9
247.14836	4.8
257.18976	4.8
259.20563	7.9
273.18546	7.2
275.20074	12.2
319.20483	4.1
335.26035	10.0
336.95386	3.7
337.25186	4.2
365.24554	5.6
461.34378	4.0
463.32471	4.2
513.36212	19.9
515.38983	8.9
533.39850	7.7
539.37054	8.3
541.38922	7.7
553.38715	6.6
607.43365	62.4
625.44604	100.0
626.44482	4.5
733.45905	7.0
737.54108	4.0
769.48102	11.8
787.50006	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	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.3
55.05301	3.3
55.05513	36.3
57.03426	9.7
57.07055	4.1
61.02914	9.2
67.05164	6.0
67.05504	69.0
69.03417	7.0
69.07065	20.6
73.02915	4.2
77.90340	3.1
79.05491	56.9
81.03418	4.6
81.07056	90.1
83.04953	6.4
83.08625	16.5
85.02912	7.4
85.06557	3.3
91.04956	6.2
91.05478	80.4
93.07037	57.7
95.04964	15.0
95.08609	60.4
97.02908	7.7
97.06524	6.7
97.10188	6.9
98.15028	3.5
98.20721	8.2
99.08053	3.7
102.47547	3.7
103.05432	4.7
104.61663	3.4
105.07025	66.6
105.07684	6.7
107.04930	6.1
107.08600	21.5
109.06522	17.0
109.10148	16.0
111.08070	6.5
115.05448	9.5
116.06232	6.3
117.07014	59.4
119.08571	33.9
121.06487	7.8
121.10162	19.3
121.55812	3.6
123.08067	8.2
125.09609	5.0
127.03924	4.5
128.06215	22.2
129.06996	25.3
130.07735	9.8
131.08566	85.0
132.05618	4.0
133.06488	9.4
133.10162	24.5
135.08028	6.1
135.11673	9.6
141.06964	12.2
142.07732	8.3
143.07472	6.8
143.08554	100.0
145.06488	5.6
145.09033	6.3
145.10121	91.3
145.11275	5.4
147.08022	13.4
147.11699	7.9
149.09637	7.0
149.13248	7.0
155.08531	12.2
157.10129	24.3
159.08081	6.2
159.11693	27.0
161.09625	13.2
165.07162	3.6
165.12787	4.2
167.08565	7.1
169.10129	25.7
171.11642	22.6
173.09692	4.9
173.13350	5.4
175.11200	9.8
177.12706	3.5
181.10110	14.4
183.11636	15.9
183.53009	3.4
185.13271	9.7
195.11688	23.2
209.13202	5.5
227.17926	7.6
237.16437	21.8
245.18968	7.0
255.17426	25.8
261.22260	4.8
273.15771	6.7
273.18494	78.9
291.19531	5.9
329.21115	4.8
335.25784	88.6
347.22211	41.3
371.86273	3.2
489.69510	4.3
607.43652	54.0
625.44250	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05503	32.0
57.03428	11.4
57.07052	2.1
61.02925	10.6
65.03941	3.4
67.05497	65.8
69.03406	5.6
69.07059	19.0
69.70221	11.1
71.04979	4.3
76.03136	1.6
79.05483	55.8
81.03391	3.8
81.06572	3.6
81.07045	71.9
83.04969	6.4
83.08609	12.5
85.02891	11.6
85.06523	2.0
85.26904	1.7
91.03954	4.3
91.05471	57.3
93.07027	59.6
95.04948	10.9
95.08595	44.8
97.02876	6.5
97.06483	6.6
97.10164	4.9
99.08092	2.0
103.05430	2.8
105.04515	1.8
105.07014	49.4
107.04948	5.2
107.08572	27.4
109.06512	9.2
109.10146	16.7
111.08067	3.8
115.05428	4.7
116.06225	3.4
117.07003	41.5
119.04971	2.5
119.07782	2.9
119.08570	37.1
121.06479	5.4
121.10117	19.6
122.05614	1.6
123.08036	7.0
123.11645	3.1
127.03938	2.4
127.07500	2.2
128.06201	11.1
129.06979	21.1
130.07738	5.4
131.08539	44.2
133.06470	9.2
133.10101	16.6
135.08014	6.5
135.11655	8.4
137.09589	2.4
141.06963	6.8
142.07759	6.9
143.08553	30.3
145.06448	4.6
145.10101	57.2
145.11253	3.0
147.08017	5.9
147.11679	12.5
148.84174	1.7
149.09560	5.3
149.13208	5.9
154.07808	3.8
155.08527	5.5
157.10112	20.3
159.08029	4.3
159.11636	14.6
161.09590	11.4
161.13219	7.0
162.18942	1.8
163.11168	6.7
165.06975	2.4
167.08560	4.1
169.10103	11.4
171.11661	15.6
173.09604	4.5
173.13245	5.9
175.11166	8.2
177.12743	4.2
181.10059	8.9
183.11652	5.6
184.30907	1.9
185.09697	3.2
185.13225	6.4
187.14832	2.0
189.12717	4.4
194.11064	2.2
195.11629	9.0
196.31406	1.9
197.13252	2.9
201.12590	2.4
203.10548	2.1
207.11562	2.0
211.14899	2.6
213.12787	3.4
217.12122	2.0
227.17853	10.5
237.16351	8.4
245.19138	10.6
245.21335	1.6
255.17383	17.0
255.77708	2.1
261.22040	7.3
273.18460	69.2
274.18869	3.1
291.19540	5.2
329.21231	4.1
335.25742	100.0
336.26157	4.6
347.22061	32.7
607.43463	43.0
608.43530	2.4
625.44470	13.4
626.42529	1.8
731.78217	2.0
747.44427	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	13.2
55.05501	41.3
57.03421	13.6
57.07065	9.2
61.02917	9.0
65.02058	4.3
65.03930	15.7
65.18179	4.9
67.05494	90.6
69.03414	24.8
69.07059	39.4
69.43196	5.0
71.04993	14.4
71.59084	5.5
73.02909	8.1
79.05480	67.6
80.54143	4.2
81.03407	42.7
81.07045	100.0
83.04963	13.6
83.08612	24.3
85.02884	14.6
88.39777	5.4
89.05998	4.7
91.03937	7.0
91.05473	66.7
93.07030	69.5
95.04960	19.6
95.08598	56.9
97.02864	24.5
97.06540	15.9
97.10172	8.3
99.04430	10.2
105.07018	64.7
107.04929	7.6
107.08598	45.1
109.02872	9.4
109.06539	12.7
109.10130	27.6
111.04429	4.9
111.08052	6.1
115.05426	8.2
117.07008	29.4
119.08572	55.5
121.02876	5.0
121.06496	6.1
121.10130	31.4
123.08093	8.8
123.11697	10.2
127.03896	9.1
128.06224	8.2
129.06963	22.6
131.08559	44.8
133.06456	5.1
133.10121	35.1
135.08051	9.8
135.11700	21.0
137.09601	9.0
139.03960	5.6
141.06979	8.8
143.08522	26.3
145.10097	41.9
147.11671	33.1
149.02339	85.6
149.03470	9.4
149.09651	12.6
149.13268	11.7
150.02669	18.8
155.08575	13.4
155.24545	4.9
157.10115	31.8
159.11696	24.3
161.13232	19.2
163.11174	6.9
163.14804	5.6
169.10149	18.2
171.10393	5.1
171.11714	20.1
173.04472	12.3
173.13237	21.9
175.14806	9.3
176.34358	5.1
179.08514	6.3
181.10114	6.9
183.11685	19.5
185.13257	18.4
187.14816	6.5
193.04941	86.1
194.05287	21.7
195.11739	9.6
196.05484	4.8
197.13190	12.8
199.14879	8.6
209.13280	6.3
211.14821	8.6
221.13364	5.9
227.18204	4.9
227.20097	20.7
228.20445	10.9
239.17981	6.5
241.19609	6.0
259.20538	14.1
261.22156	6.3
267.15884	8.1
273.22278	5.5
275.20148	20.8
309.21896	5.1
313.21457	5.0
328.80411	4.9
333.24210	7.7
335.25699	12.7
513.35620	23.7
515.37543	10.4
523.07861	5.7
527.37115	16.7
533.39819	10.8
543.35919	6.2
551.40454	7.0
607.43555	54.0
625.44769	80.8
689.42065	15.0
733.47430	5.7
769.48260	14.2
770.18164	29.8
787.49176	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.1
67.05495	2.0
70.99673	2.9
79.05469	2.7
81.03436	2.4
81.07043	1.2
84.08123	1.1
91.05500	1.5
93.05771	1.3
93.07036	1.9
94.06561	6.2
95.07355	1.1
96.08114	2.8
98.92788	0.9
108.04478	1.9
108.08107	7.5
109.02889	1.3
110.09661	3.8
116.04955	1.3
119.08573	1.2
120.04447	2.8
120.08096	5.2
122.05984	5.2
122.09663	2.3
124.07581	2.6
127.03858	1.1
134.05997	2.6
136.07565	9.6
138.09090	6.1
144.04401	3.1
146.05998	7.3
148.07550	3.7
150.09119	2.1
160.03888	1.6
162.05460	1.5
164.07060	1.3
166.08640	4.6
172.03876	5.0
174.05470	2.6
176.07034	1.8
186.05461	1.1
190.04941	6.8
190.06517	0.9
196.09865	1.1
197.10667	1.5
199.12280	1.8
204.06657	1.2
209.10770	1.3
211.08690	2.3
212.09421	1.3
224.09358	1.1
225.10275	5.7
226.10931	1.8
227.11781	9.2
237.10220	3.9
238.10941	1.4
239.11823	2.6
241.13284	2.4
249.10139	2.7
251.11766	2.7
253.09727	3.9
253.13304	1.3
255.11211	2.3
263.08035	1.2
264.09164	1.8
265.09830	2.3
267.11246	3.1
269.12891	3.4
271.10791	3.9
273.12280	1.7
277.09711	1.7
279.11270	4.6
281.12839	1.0
283.10605	1.6
285.12500	1.9
295.10495	1.6
297.12335	3.6
302.12854	2.3
305.09451	1.4
307.10739	1.7
312.14856	1.7
325.11780	2.7
326.12793	1.6
328.10730	2.7
328.14273	2.1
329.11533	1.9
330.16052	1.7
331.16931	1.5
339.13885	1.2
342.12140	5.3
342.16003	1.4
343.13098	5.6
344.13727	1.9
352.14572	1.5
354.12238	1.2
354.16306	1.9
356.13980	4.0
357.14532	1.9
358.15375	5.7
366.16238	1.4
370.15427	2.9
380.13705	1.6
383.12323	1.6
386.14902	2.7
388.16824	1.5
397.13382	1.2
398.15002	9.7
399.15659	4.8
400.16602	1.5
412.16483	2.7
414.18173	1.5
416.15817	2.9
417.16611	1.4
428.15784	1.3
440.15921	2.3
458.16766	1.6
534.21979	1.2
548.19934	1.3
554.18915	1.1
559.25574	1.4
560.20392	4.8
584.20026	1.7
590.20959	3.1
602.20941	7.0
620.22491	1.1
667.27582	1.3
673.25610	1.2
686.61432	1.0
691.27759	1.2
709.28302	3.0
711.29645	4.4
713.27704	6.2
719.26666	3.7
727.29602	5.1
737.28082	5.7
755.29089	100.0
756.28864	3.7
787.30737	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	785.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
59.17777	0.1
68.99764	0.2
69.03418	0.6
70.47453	0.1
70.47801	0.3
75.63423	0.1
77.50509	0.1
79.01842	8.0
81.03406	5.2
83.01306	0.1
84.08112	0.1
84.64967	0.1
85.02886	0.2
87.00794	0.1
89.03862	0.1
91.05453	0.1
93.84736	0.1
96.08131	0.1
97.02881	1.9
100.88590	0.1
107.00597	0.1
107.01301	1.7
109.02863	3.3
110.03730	0.1
119.04910	0.2
123.00771	0.3
125.02335	4.6
127.02938	0.1
127.03897	2.2
133.02821	0.2
135.04350	0.2
143.03375	10.2
145.02803	0.1
147.04375	0.3
153.01804	100.0
153.02786	3.9
153.36850	0.1
154.02135	0.8
161.02316	0.2
163.03909	0.6
171.69484	0.1
173.02293	0.2
175.03853	0.5
177.05402	0.1
179.03392	0.1
181.01242	0.1
187.03865	0.1
189.01828	0.5
191.03407	0.5
201.01836	0.2
203.03485	0.2
205.04932	0.2
207.02869	0.5
207.06372	0.4
217.01314	0.8
219.02875	0.7
221.00916	0.2
229.01514	0.2
231.02715	0.1
233.04433	0.3
235.02368	0.9
245.00732	0.8
246.01570	0.1
247.02307	0.6
257.00937	0.1
259.02316	0.1
259.08481	0.1
261.03891	0.5
263.01791	0.5
264.12207	0.1
273.00308	0.8
274.00793	0.1
275.01828	0.6
277.03339	0.1
279.04959	1.6
291.01517	0.1
297.06189	0.2
300.99786	0.4
303.01413	0.2
303.05060	0.1
304.01636	0.1
305.02747	0.1
319.00854	0.3
319.04279	0.1
337.01849	3.5
350.05463	0.1
355.04709	0.1
379.02979	0.1
399.03378	0.2
403.03033	0.4
427.03070	0.2
445.03970	0.5
449.07254	0.2
463.05133	0.4
615.06335	0.2
633.07190	0.1
766.34961	0.1
785.08252	2.5
786.53723	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	785.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
65.03902	0.1
66.37294	0.1
68.99767	0.1
69.03426	0.5
70.06568	0.1
71.11623	0.1
71.11936	0.1
74.09672	0.1
79.01843	7.1
81.03407	2.6
83.04957	0.1
84.04501	0.1
84.08114	0.1
84.23352	0.1
87.00848	0.1
91.05458	0.1
91.75792	0.1
95.01306	0.2
97.02879	1.7
99.04419	0.1
107.00597	0.1
107.01307	1.6
107.04918	0.1
109.02866	2.5
110.03705	0.1
117.03294	0.1
119.04904	0.1
123.00805	0.3
125.02333	4.5
127.03901	2.2
131.04851	0.1
133.02843	0.2
134.34006	0.1
135.04343	0.1
139.73393	0.1
143.03375	9.8
145.02795	0.1
147.04411	0.2
152.01016	0.1
153.01807	100.0
153.02760	4.4
154.02132	0.8
159.04405	0.1
161.02353	0.2
161.06062	0.1
163.03905	0.5
165.01889	0.1
167.03415	0.3
173.02321	0.1
175.03940	0.2
177.05399	0.1
179.03377	0.2
181.01288	0.3
187.03833	0.1
189.01836	0.4
191.03375	0.6
193.28090	0.1
197.00636	0.1
201.01825	0.2
203.03345	0.1
205.04942	0.2
207.02875	0.3
207.06563	0.2
215.03322	0.1
217.01268	0.6
217.04993	0.1
219.02867	0.5
221.00615	0.1
229.01414	0.1
231.02884	0.1
233.04413	0.4
235.02347	0.8
239.01701	0.1
243.02890	0.2
245.00690	0.5
247.02306	0.4
257.00873	0.1
259.02423	0.1
261.03964	1.2
263.01843	0.3
273.00299	0.5
275.01831	0.5
277.03439	0.1
278.03821	0.1
279.04977	1.7
289.48956	0.1
291.01312	0.1
300.99805	0.2
302.00687	0.1
303.01318	0.2
305.02621	0.1
319.00961	0.2
333.08319	0.1
337.01840	2.9
338.02261	0.1
403.03107	0.3
417.05383	0.1
427.02740	0.1
445.03888	0.4
449.07028	0.2
463.05051	0.2
514.54559	0.1
609.61578	0.1
615.06427	0.1
708.50134	0.1
766.35419	0.1
785.08325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
61.40866	0.4
61.92729	0.4
68.53905	0.5
68.99789	0.5
69.03418	22.2
70.74913	1.1
70.75261	0.5
71.01343	1.3
71.04979	0.8
79.05479	1.2
81.03404	33.3
83.01319	1.8
85.02879	2.6
89.03898	1.0
91.05460	1.1
95.01351	0.5
95.04914	0.6
97.02872	3.6
99.04450	1.5
103.05437	1.0
105.03373	1.3
107.04947	1.3
109.02861	17.5
111.04392	0.6
117.03371	1.0
119.04898	0.6
125.02379	0.4
127.03893	7.8
131.04941	1.1
133.02861	2.5
135.04388	1.2
137.02319	0.8
145.02831	1.4
147.04335	2.6
151.03880	1.1
151.75465	0.5
153.01825	0.5
157.02879	1.4
159.04337	0.5
160.63625	0.4
161.02304	3.6
162.02980	0.6
163.03876	7.1
165.01752	0.8
173.02339	3.9
175.03854	3.6
177.01758	0.6
179.03395	2.1
181.01192	0.6
183.66432	0.4
185.02327	1.8
187.03894	5.0
189.01793	8.0
190.02565	0.4
191.03371	9.3
193.01335	0.9
201.01788	7.9
202.02437	0.7
203.03366	5.0
205.01144	0.6
207.02876	5.8
213.01802	3.6
215.03380	3.9
217.01282	10.9
218.02034	1.0
219.02863	9.6
221.00783	1.4
221.04396	0.7
229.01233	5.7
230.02031	0.9
231.02849	21.5
233.04317	0.5
235.02335	13.0
239.01770	1.0
241.01274	3.7
245.00795	8.0
246.01343	0.4
247.02332	12.9
248.02704	0.5
257.00772	9.3
259.02338	30.7
260.02670	0.6
263.01816	5.6
273.00275	7.7
274.00986	0.8
275.01828	16.7
276.02554	8.0
277.03384	100.0
278.03775	1.9
285.00302	5.8
287.01859	0.9
289.03391	1.2
291.01376	3.3
297.03955	0.7
300.99680	3.1
302.00616	1.0
303.01297	93.7
304.01587	2.4
305.02832	1.5
316.14960	0.5
319.00790	6.7
321.02252	3.1
328.99426	0.6
331.00653	1.2
337.01831	36.0
338.02200	1.2
357.06015	0.5
367.04401	0.6
385.05814	0.7
407.02414	1.4
411.03342	0.7
429.04315	1.9
445.04123	1.2
447.05505	1.5
463.05026	10.7
464.04813	0.7
481.06046	1.7
655.85236	0.4
765.05414	0.5
783.06628	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	783.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
65.84795	0.4
68.99771	0.7
69.03420	23.0
69.90944	2.5
71.01328	1.5
71.04965	0.7
79.05473	1.0
81.03407	35.4
83.01329	1.1
85.02896	2.8
89.03895	1.0
91.05459	0.8
97.02881	3.7
99.04440	1.9
103.05434	0.8
105.03391	0.6
107.04919	1.3
109.02867	18.2
111.04429	1.0
117.03373	1.3
119.04887	0.8
121.02830	0.4
125.02370	0.5
127.03905	8.8
129.03354	0.9
131.04880	0.9
133.02849	2.8
135.04408	1.1
137.02330	0.7
145.02873	2.5
147.04358	3.2
151.03903	0.9
153.01808	1.0
153.32643	0.6
157.02902	2.2
157.04008	0.4
161.02301	2.6
163.03877	7.6
165.01799	1.4
173.02354	3.5
173.30092	0.4
174.03053	0.5
175.03925	3.5
177.01779	0.8
179.03369	2.0
181.01274	0.5
185.02313	1.8
187.03944	4.2
189.01801	6.7
190.02554	0.8
191.03378	9.6
193.01331	1.6
201.01776	7.8
202.02402	0.5
203.03357	5.0
205.01251	0.8
207.02876	5.6
213.01768	3.4
215.03357	3.5
216.99236	0.7
217.01314	10.7
218.02055	1.6
219.02861	10.0
221.00784	2.0
221.04343	0.6
229.01299	6.1
229.04868	0.5
230.01944	0.9
231.02858	20.4
232.03273	0.6
235.02348	14.5
236.03116	0.8
239.01793	0.8
241.01273	3.5
245.00751	8.3
247.02361	12.8
257.00809	10.0
259.02356	29.0
260.02759	0.6
263.01831	5.1
273.00296	7.9
274.00925	0.8
275.01825	17.9
276.02612	7.6
277.03397	100.0
278.03741	1.6
281.04474	0.7
285.00354	6.0
287.02026	0.5
289.03308	0.8
291.01312	2.3
300.99722	3.7
302.00449	0.7
303.01309	89.4
304.01599	2.0
305.02850	1.1
309.01755	0.5
315.04971	0.5
319.00812	7.1
321.02228	3.0
328.99142	0.5
331.00519	1.0
336.51523	0.5
337.01837	33.5
338.01944	0.6
355.04233	0.6
407.02509	1.8
411.03528	0.7
429.04449	1.7
445.03979	1.5
447.05716	1.3
463.05017	10.3
481.06003	1.5
649.20477	0.5
783.06500	9.9
797.87500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
57.03407	1.9
59.58361	0.4
61.02913	5.5
65.03893	0.4
65.62772	0.4
67.05495	6.8
69.03423	2.6
69.07037	0.8
70.01299	1.2
70.01715	1.2
71.01324	0.5
71.04971	0.6
73.02911	4.4
79.05497	2.5
81.03386	1.9
81.07059	3.7
83.08597	1.2
85.02898	4.7
86.09703	2.2
91.03942	2.5
91.05455	1.7
93.07027	2.5
95.04948	1.0
95.08579	2.7
97.02859	4.2
98.20850	0.6
99.04436	0.9
101.02345	1.7
103.03880	0.7
105.07028	0.7
107.08560	1.8
109.02859	1.1
109.10147	5.8
111.08106	0.4
119.08535	0.9
119.80196	0.4
121.10127	0.9
124.99966	1.8
127.03896	1.2
131.08556	0.7
135.11661	0.6
145.05006	0.5
156.84108	0.5
161.13260	0.7
173.11673	1.4
173.13170	0.5
184.07324	7.3
185.04233	0.9
185.07681	0.9
187.48067	0.4
195.09869	0.9
229.14410	0.6
243.08426	1.9
295.81802	0.4
326.40854	0.5
335.25803	1.1
356.00690	0.4
413.17783	7.3
519.29230	8.2
642.23584	1.0
691.40186	100.0
692.40607	3.2
735.42871	0.6
763.42029	1.3
765.96210	0.7
781.42102	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	780.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.1
56.05027	0.8
58.06624	0.4
59.07391	0.2
60.08155	6.4
67.05483	0.2
69.48796	0.1
70.06584	0.1
71.06969	0.2
71.07362	3.3
71.30332	0.1
80.97412	0.2
81.07043	0.2
86.09692	29.7
87.10040	0.4
93.07050	0.1
95.08602	0.2
98.98452	3.5
98.99117	0.2
104.10727	2.0
116.99443	0.2
124.99985	20.4
126.00348	0.1
129.60347	0.1
143.01027	0.4
166.02650	0.3
184.07310	100.0
185.07660	0.8
302.88242	0.1
518.31152	0.1
520.33765	0.2
700.15155	0.1
780.55145	1.6
781.54431	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05504	1.0
57.03431	2.3
57.04733	0.4
61.02916	6.3
65.03926	0.5
67.05499	5.3
69.03411	3.3
69.07053	1.4
69.38583	4.0
71.04977	4.0
73.02914	3.2
79.05477	3.5
81.03422	1.6
81.07053	6.1
83.04970	0.4
83.08607	0.9
83.28468	0.4
85.02895	4.2
86.09704	1.9
87.04471	0.5
88.04407	0.4
91.03934	3.0
91.05471	4.9
93.07024	4.6
95.04971	0.9
95.08616	1.9
97.02876	4.6
97.06523	0.5
99.04443	0.8
101.02364	1.5
101.84258	0.5
105.07025	2.8
107.08581	2.3
107.68397	0.4
109.02866	0.5
109.10145	1.3
117.07008	1.3
119.08579	1.4
121.10145	1.6
123.11704	0.8
124.99995	0.8
126.46883	0.5
127.03936	1.1
131.08574	1.0
131.26762	0.4
133.10127	3.5
135.11670	1.1
145.10146	0.7
147.11723	1.0
149.13271	0.9
151.11188	1.4
159.11726	1.4
183.13852	0.7
184.07307	8.1
185.04301	0.8
189.52751	0.5
201.03690	0.5
203.05304	0.5
243.08376	3.5
243.15984	0.6
260.77673	0.4
267.15781	1.6
301.08957	1.9
315.10559	1.1
317.20950	0.5
485.23520	10.0
491.00351	0.5
535.28760	5.9
557.25665	1.6
572.90656	0.5
585.28943	0.5
599.00647	0.5
779.45441	100.0
780.45825	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	779.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35286	8.1
69.35699	2.0
84.06524	1.0
86.09697	1.7
89.71479	0.8
106.15941	0.9
120.80260	1.1
139.59189	0.9
174.40936	0.9
184.07323	4.6
199.01102	0.9
456.46747	1.1
691.37732	1.1
766.66516	1.0
779.43335	100.0
780.43719	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	779.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
57.03425	1.7
59.04984	0.4
61.02639	0.4
61.02922	4.7
67.05497	5.0
69.03420	3.0
69.07059	1.2
69.25201	2.4
69.25620	1.0
70.36111	0.3
71.01366	0.4
71.04980	1.0
73.02913	4.2
79.05487	3.3
81.03419	2.9
81.07043	4.4
83.04982	0.6
83.08636	0.5
85.02898	5.2
86.09702	1.3
87.04466	0.6
91.03944	3.3
91.05493	2.1
93.07042	3.5
95.04943	0.9
95.08606	3.5
97.02880	3.7
97.06545	0.4
99.04460	0.9
99.34101	0.3
101.02364	2.0
103.03944	0.6
105.07015	1.8
107.08597	1.6
109.02853	0.8
109.10153	1.1
111.08084	0.4
115.03922	0.3
116.78304	0.3
117.06998	0.5
119.08582	1.4
121.10120	2.0
123.11723	0.4
124.99977	0.8
127.03911	1.5
129.07005	0.4
131.08575	1.0
133.10130	1.2
135.11697	0.8
145.10086	0.3
147.11720	0.9
149.09630	1.0
149.13286	0.3
157.10139	0.6
169.95515	0.3
175.11264	0.4
184.07327	3.0
185.04222	0.7
193.12244	0.7
194.38402	0.3
203.05241	0.5
225.14923	0.5
243.08398	1.9
243.10661	0.3
283.15143	4.8
335.25812	1.1
339.17871	0.9
469.20004	0.4
501.23026	6.9
519.29254	7.8
779.45410	100.0
780.45410	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	779.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05513	0.2
57.03431	3.0
61.02923	0.4
69.03421	7.9
70.75478	0.6
71.01333	0.2
71.04984	21.3
73.02902	0.4
75.04456	1.0
79.01826	2.0
81.03393	0.9
83.04951	1.2
84.08153	0.3
85.02895	23.1
86.03238	0.3
86.09663	0.4
87.04440	0.5
97.02879	2.0
99.04416	0.3
107.01292	0.5
109.02866	1.0
110.07134	0.2
111.00781	0.8
111.04430	0.9
112.11284	0.2
125.00000	0.4
125.02337	2.0
127.03905	5.4
129.05464	7.4
131.04919	0.2
133.02852	0.2
133.53436	0.2
137.02332	0.7
139.03880	0.3
140.47025	0.2
143.03378	4.0
145.02765	0.3
145.04996	0.5
147.04408	0.7
147.06500	2.1
151.03963	0.2
153.01810	100.0
154.02164	1.3
159.04408	0.5
163.03905	0.8
165.01823	0.9
165.05452	0.2
168.21527	0.2
171.02861	2.6
175.03885	0.5
177.05486	0.7
179.03381	1.2
181.01260	0.3
183.02963	0.3
184.07338	1.1
187.03934	0.3
187.21384	0.2
189.01941	0.3
189.05397	0.3
191.03363	2.0
193.04872	0.3
195.02884	0.6
197.04500	0.2
203.03532	0.3
205.04955	0.9
207.02876	1.3
207.06544	0.3
209.04428	0.5
217.04901	1.1
219.02896	0.6
221.04471	0.5
223.02391	0.3
231.02815	0.4
233.04411	0.8
235.02333	0.2
237.03917	2.3
243.02715	0.3
245.04402	1.2
261.03897	0.7
273.03870	1.5
277.03448	0.6
279.04971	1.4
281.06638	0.3
290.04276	0.4
297.06061	5.5
299.07596	0.8
303.01273	0.5
315.07065	14.7
319.04449	32.2
320.04749	0.8
343.04404	0.4
361.05426	0.4
411.42825	0.3
481.09451	0.3
551.83136	0.2
758.23419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.0
59.04980	0.5
62.64738	0.4
68.99778	0.6
69.87023	0.4
69.98653	0.9
69.99044	2.1
71.04988	40.8
72.05299	0.6
73.02909	0.8
75.04471	1.0
79.01839	2.2
83.04968	2.7
85.02898	48.4
87.04474	1.0
91.51518	0.4
97.02876	7.1
98.21443	0.6
99.04440	0.7
107.01290	0.7
109.02863	1.4
111.04425	1.5
125.02380	2.3
127.03911	1.6
129.05476	17.4
131.04924	1.4
137.02287	0.7
143.03369	4.5
145.04951	0.6
147.04480	0.9
147.06519	4.6
153.01816	100.0
154.02159	0.8
159.04373	2.9
163.03903	1.3
163.63832	0.4
165.01820	1.0
167.03268	0.5
171.02893	2.0
175.03851	1.0
177.05449	1.9
179.03326	0.9
181.01314	1.0
183.02820	0.6
187.03889	1.6
191.03337	2.6
195.02831	0.9
197.00839	0.7
203.03271	0.6
205.04959	6.7
207.02881	7.9
210.51463	0.5
215.03374	1.4
217.04974	1.3
219.02811	0.5
221.04431	3.3
223.02393	1.0
231.02945	0.7
233.04437	10.3
235.02390	0.8
237.03944	2.7
245.04507	1.5
249.03993	2.9
251.05534	1.5
261.03937	3.7
273.04114	1.1
279.05020	11.0
279.08099	0.6
297.06052	10.4
299.07391	0.6
315.07062	25.0
319.04471	35.1
320.04828	0.8
361.05597	0.7
606.46362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.537
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05029	0.8
58.06624	0.4
59.07397	0.2
60.08158	6.1
67.05500	0.1
67.94003	0.1
70.06584	0.1
71.07371	3.4
71.55026	0.2
79.05476	0.2
83.75806	0.1
86.09698	30.1
98.98457	3.5
104.10735	1.9
106.23661	0.1
124.99993	20.3
133.14204	0.1
143.01068	0.6
166.02672	0.2
183.09995	0.1
184.07324	100.0
185.07649	0.4
250.62569	0.1
364.23865	0.1
518.32202	0.2
778.53760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05501	0.7
57.03437	5.2
58.58690	0.3
59.04994	0.4
64.94088	0.4
69.03432	2.0
69.16568	0.3
69.40737	1.7
69.41176	1.7
70.06577	0.4
71.04989	41.3
73.02911	1.0
75.04461	1.4
79.01846	2.2
79.05470	0.4
80.06808	0.3
81.03418	0.9
83.04982	2.5
84.08132	2.2
85.02899	50.3
87.04453	1.4
89.03914	0.6
91.05476	1.1
92.02627	0.5
92.20609	0.4
97.02881	7.7
99.04387	0.4
103.05473	0.6
107.01326	0.5
107.04962	0.6
109.02898	0.9
110.09677	1.4
111.04432	1.5
112.11250	2.7
113.07111	0.5
117.03385	2.3
119.04935	1.5
121.02833	0.5
125.02329	2.4
127.03913	2.0
129.05473	16.9
129.13884	1.5
131.04915	1.8
133.02838	0.5
135.04366	0.4
137.05945	0.6
139.03893	0.5
143.03395	4.5
145.02846	4.9
145.04980	0.8
147.04448	2.2
147.06516	3.8
149.05972	1.2
151.03938	0.5
152.56583	0.3
153.01817	100.0
154.02168	1.9
155.11765	2.3
159.04402	3.3
161.05957	0.6
163.03929	2.3
165.01868	0.4
165.05515	0.4
171.02867	1.7
175.03918	2.1
177.05453	6.4
179.03352	0.8
179.07050	0.7
181.01350	0.6
183.02925	0.8
187.03839	1.1
189.05391	0.4
191.03342	2.5
193.04970	0.5
195.02943	0.6
197.00806	0.6
205.04942	6.3
207.00978	0.3
207.02867	7.0
207.06560	1.6
209.04437	0.9
211.02347	0.8
215.03355	1.3
217.04996	0.7
219.02910	0.6
221.04443	2.9
223.02325	1.1
229.04910	1.1
230.87932	0.4
231.02849	0.6
231.06456	0.4
233.04437	10.5
234.11223	1.1
235.02342	1.0
237.03957	2.5
245.04417	0.5
246.05264	0.6
249.03911	2.0
251.05499	1.2
257.04410	0.8
259.06024	0.4
259.09659	0.4
261.03876	3.9
264.12277	0.9
273.03705	0.7
274.04715	1.0
279.04984	8.8
285.04019	1.7
289.10626	1.1
295.21176	0.5
297.06021	9.8
302.04254	3.3
304.11646	0.4
305.18472	0.5
315.07083	22.0
317.06552	32.1
318.06982	0.7
319.11600	0.5
335.19803	0.7
371.07391	0.4
384.27524	0.4
412.17184	0.5
471.26010	0.8
519.94153	0.4
571.31134	0.6
583.31183	1.9
612.98309	0.4
638.41876	0.4
759.35846	3.8
777.36725	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94457	1.5
55.01867	5.0
55.05504	56.3
57.03431	20.0
57.07064	5.0
58.37033	1.5
59.05010	4.1
61.02919	4.7
65.03931	3.3
67.05495	100.0
68.05820	2.0
69.03407	5.8
69.07064	25.4
69.85830	9.2
71.01336	1.5
71.04977	4.0
71.08627	1.8
78.35925	1.6
79.05486	52.1
81.03415	8.3
81.07047	66.5
83.04968	7.8
83.08607	18.0
85.02897	19.5
85.06538	4.7
87.04475	9.7
89.06027	5.2
91.05469	33.8
93.07030	46.6
93.07617	2.1
95.04945	10.6
95.08593	40.6
95.09157	3.2
97.02876	5.7
97.06516	5.4
97.10151	28.7
105.07013	20.7
107.04957	3.4
107.08578	31.3
109.06514	2.0
109.10146	58.9
111.08041	3.5
117.06973	8.5
119.08555	18.7
121.10126	20.0
123.08083	2.5
123.11683	6.7
125.00012	2.0
125.09614	26.5
126.10961	1.5
129.06982	3.2
131.08582	11.5
133.08646	1.7
133.10101	10.4
135.11679	11.3
137.09601	4.3
139.11212	2.3
143.10649	4.9
145.10057	8.1
147.11678	5.7
149.09605	4.1
149.13222	7.2
153.12762	2.3
155.08618	2.1
155.10564	2.3
157.10118	2.6
159.11693	7.2
161.13190	4.9
163.11160	6.3
163.14790	2.2
171.11742	2.6
173.09518	2.5
173.11742	13.6
173.13235	4.3
175.11192	1.6
175.14856	3.5
181.12228	2.7
183.98709	1.8
184.07350	6.6
186.66794	1.6
187.14868	2.5
191.10666	2.2
193.12276	1.9
199.11679	1.8
199.13228	10.5
203.12662	1.7
207.88135	2.0
209.11676	3.0
209.65675	1.6
217.99852	1.6
227.12793	9.1
229.14328	35.9
240.13776	1.6
243.21054	3.5
245.13821	3.0
259.20557	2.1
261.22101	10.3
267.15817	4.8
277.21567	2.2
283.15530	2.0
299.14664	1.9
301.16443	19.2
317.24545	2.2
327.68332	1.6
335.25726	56.7
336.26190	3.3
337.27304	2.1
351.25388	2.4
363.25256	3.6
451.32040	2.0
477.35678	10.5
489.35883	9.6
499.15070	3.7
543.36560	3.7
561.37830	9.1
579.38403	2.1
777.37817	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.0
55.05505	47.5
57.03430	15.5
57.07065	4.4
59.04985	3.2
61.02910	3.8
65.03917	3.5
67.05497	100.0
69.03410	4.1
69.07057	21.6
69.37448	8.9
69.37871	5.8
71.04974	6.2
79.05479	54.0
81.03406	6.8
81.07047	62.5
83.04965	5.4
83.08606	17.5
85.02876	16.1
85.06536	3.8
86.09692	1.8
86.70336	1.4
87.04464	7.5
89.06008	2.2
91.03931	1.9
91.05469	28.1
93.07030	49.5
95.04969	7.9
95.08591	47.4
97.02863	3.9
97.06506	5.4
97.10155	22.6
97.65905	1.6
98.20772	3.2
99.08089	1.6
105.07008	19.5
107.04916	3.1
107.08575	34.6
109.06484	3.0
109.10142	49.5
111.08059	2.8
111.11683	1.9
114.43951	1.4
117.07024	9.5
118.75140	1.4
119.08562	16.8
121.10120	21.5
123.08010	2.5
123.11694	4.9
125.09618	19.8
129.06998	2.8
131.08565	11.2
133.10112	10.9
134.24655	1.6
135.11653	14.8
137.09593	2.8
137.13255	2.9
139.11163	2.9
143.08571	2.1
143.10681	3.7
145.10086	10.7
147.11670	7.5
149.13188	3.8
155.10699	2.1
159.06445	1.8
159.11676	6.2
161.13228	6.2
163.11157	4.8
163.14816	3.7
169.10161	2.7
171.11633	3.9
173.11728	14.4
173.13242	3.8
175.14789	2.1
184.07263	8.2
185.13245	3.6
187.14838	3.4
189.11227	2.7
191.10629	2.2
193.12193	4.4
199.13319	9.1
201.16454	1.7
209.11632	2.9
227.12759	6.8
229.14319	34.5
243.21031	3.5
245.13814	4.0
257.13367	1.5
261.22156	12.3
267.15842	4.7
268.20480	1.6
277.21423	2.3
283.15552	2.2
289.21411	1.5
301.16425	17.2
317.24829	3.3
335.25763	72.6
363.25256	2.1
381.51834	1.7
451.31927	2.4
459.34763	3.9
477.36099	11.5
489.35733	13.8
539.35004	1.6
543.36682	4.8
561.37640	9.8
579.38788	3.4
643.29364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.0
55.05501	38.7
57.03432	15.1
57.07063	3.4
59.04968	3.1
60.08155	2.3
61.02906	3.0
65.03927	2.5
67.05494	100.0
69.03423	3.0
69.07056	17.1
70.07671	6.8
71.01343	2.2
71.04978	5.1
71.07378	1.9
73.02917	2.0
79.05481	47.4
81.03397	6.2
81.07040	64.6
83.04953	7.1
83.08606	18.1
85.02894	16.4
85.06522	3.6
85.10181	3.0
86.09704	8.7
87.04442	7.4
89.06023	3.7
91.05462	26.0
93.06467	2.7
93.07034	49.9
93.18452	1.4
95.04947	6.9
95.08588	43.6
97.02900	5.9
97.06502	4.2
97.10152	24.6
99.08074	2.6
103.03912	2.4
105.07010	17.5
107.04909	2.3
107.08573	28.4
109.06489	3.1
109.10137	57.2
111.04462	1.5
111.08057	4.4
117.06979	8.8
119.08575	18.3
121.10130	20.7
123.08087	2.4
123.11713	4.0
124.99977	7.0
125.09608	21.1
125.10452	2.5
127.03844	1.7
131.08563	14.9
133.08658	2.5
133.10114	12.0
135.08052	2.2
135.11656	15.9
137.09592	4.2
137.13280	1.8
143.10637	4.4
145.10092	13.5
147.11655	8.3
149.09605	2.2
149.13254	6.3
153.12769	2.2
155.10634	2.9
157.10033	2.1
159.11636	5.9
161.13280	4.9
163.11182	6.3
163.14798	1.9
171.11693	3.0
173.11707	18.2
173.13229	6.0
181.12228	2.8
184.07317	34.9
187.14815	2.6
189.11180	2.1
191.10710	1.9
193.12233	3.7
199.13266	13.5
209.11728	2.8
217.14299	1.7
227.12671	8.4
229.14308	52.9
229.16556	3.4
243.21005	4.4
261.22073	17.0
267.15884	5.4
277.21475	2.8
283.15399	2.3
299.14941	2.2
299.23602	1.8
301.16440	27.4
335.25739	83.5
336.26102	3.7
363.25412	2.8
394.05923	1.6
477.35611	8.3
489.35629	15.8
543.36340	7.3
561.37689	13.0
579.38922	3.5
789.21179	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.5
55.05505	47.1
56.05838	0.7
56.24555	0.7
57.03435	16.8
57.07063	2.2
59.04992	2.8
61.02914	3.2
65.03928	4.5
67.05498	100.0
68.05840	1.0
69.03416	4.6
69.07058	18.7
69.35889	7.7
71.01335	1.2
71.04980	4.9
73.02900	1.7
77.03941	0.8
79.05484	44.5
80.05833	0.8
81.03401	7.0
81.07046	62.8
82.07393	1.4
83.04980	5.9
83.08611	15.5
85.02892	13.9
85.06546	4.7
86.09683	3.5
87.04464	6.7
91.03948	1.6
91.05468	26.6
93.07030	44.5
94.07369	1.0
95.04961	9.4
95.08597	46.2
96.08943	0.8
97.02879	4.3
97.06516	5.0
97.10159	20.4
97.10762	1.3
99.04430	0.9
103.03947	1.7
105.07014	15.6
106.07338	0.8
107.04964	2.2
107.08579	28.5
107.09282	1.5
108.08889	0.7
109.06533	2.1
109.10143	52.6
110.10551	0.9
111.04497	1.0
111.08100	3.8
111.11767	0.7
113.09641	0.9
117.07001	7.6
119.08557	16.0
119.09328	1.2
121.06518	1.7
121.10126	18.9
122.10480	0.8
123.08078	2.8
123.11702	4.2
124.99989	1.9
125.09617	18.2
125.10529	1.1
127.03920	1.4
128.06244	1.0
129.07028	2.7
131.08548	10.0
133.10117	10.6
135.08012	1.0
135.11673	13.7
137.09637	3.1
137.13251	1.8
139.11198	2.5
143.08546	1.8
143.10678	3.0
145.10106	9.4
147.11685	7.0
149.09679	1.0
149.13225	5.4
151.11208	1.3
153.12714	1.7
155.08504	1.0
155.10712	2.6
157.10120	2.2
159.11674	6.5
161.13208	5.0
163.11116	4.4
163.14859	2.2
165.12726	0.8
169.10161	1.1
171.11726	2.4
173.11775	13.3
173.13298	4.6
175.11255	1.1
175.14844	1.2
181.12292	2.1
183.11801	1.1
184.07358	2.7
185.13350	2.6
187.14876	2.2
189.11296	1.9
191.10699	1.1
193.12292	1.7
199.13235	10.0
201.16449	1.1
209.11818	2.0
215.18069	0.8
217.14348	1.9
227.12776	7.2
229.14313	38.2
241.14281	0.9
243.21236	3.4
245.13898	1.4
255.33533	0.8
257.13898	1.2
259.20624	1.9
261.22079	14.4
267.15884	5.2
277.21750	0.9
279.23331	0.8
283.15448	1.8
289.21832	0.8
299.14908	1.7
300.15024	1.2
301.16425	17.0
301.19574	1.2
315.23328	1.0
317.24802	2.7
335.25769	68.0
336.26105	3.5
337.26517	0.8
345.24084	1.1
363.25439	2.0
381.77344	0.9
400.90646	0.8
433.31042	1.1
459.34891	1.7
477.35641	9.1
487.35281	0.8
489.35709	12.4
507.37061	1.5
517.35803	0.8
543.36841	3.1
561.37793	10.0
579.38580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.8
55.05505	31.3
57.03432	20.9
57.07072	4.9
60.77034	2.2
61.02923	6.0
65.03931	4.9
67.05499	100.0
69.03416	5.1
69.07061	26.7
71.04977	8.7
71.08651	3.1
71.59844	3.8
73.02912	4.9
73.06554	2.4
79.05486	72.5
80.29253	2.0
81.03406	12.1
81.07048	90.3
83.04974	16.0
83.08608	17.3
85.02889	8.8
85.06532	5.7
86.09663	4.3
88.37861	2.2
89.06035	7.6
91.03984	3.4
91.05466	54.4
93.07034	88.0
93.07625	4.6
95.04436	2.4
95.04942	14.2
95.08597	61.8
97.02885	11.4
97.06507	9.8
97.10146	11.8
99.08043	2.3
105.04529	2.3
105.07008	31.0
107.04959	9.2
107.08578	56.5
109.06508	8.9
109.10140	31.9
111.04422	10.4
111.08070	4.6
111.68404	2.4
117.07013	22.0
119.08578	29.9
121.06445	3.2
121.10133	42.6
123.08043	7.7
123.11698	10.5
125.09633	8.7
129.06989	7.6
131.08559	24.2
133.10130	21.9
135.08038	5.4
135.11671	26.0
137.09595	3.0
139.11150	6.0
143.08612	6.2
145.10086	27.0
147.08086	3.4
147.11674	9.7
149.09593	8.8
149.13248	11.1
151.11226	3.6
155.08533	3.9
157.10086	3.5
159.11662	14.6
161.09622	3.2
161.13269	9.6
163.11198	13.1
166.56903	2.6
167.10648	3.7
171.11723	3.9
173.09595	4.8
173.11821	4.1
173.13242	9.3
181.12234	3.6
184.07314	11.8
185.13248	3.2
187.14822	6.1
189.11270	4.8
191.10661	9.4
197.13356	3.7
200.99791	3.1
203.12730	3.6
209.11690	39.0
227.12721	12.8
229.14436	8.0
241.14334	4.5
243.21031	5.7
259.20532	3.5
261.22113	13.1
265.14359	2.4
275.23273	2.9
283.15393	19.4
299.23553	3.1
301.16406	63.2
301.21509	4.7
303.23254	5.3
315.23398	3.7
333.24341	4.3
335.25790	89.2
336.26016	3.5
433.30911	4.0
451.31967	3.5
469.33130	8.6
487.33594	3.2
501.35486	6.7
525.35754	7.5
543.36761	36.1
561.37823	57.8
579.38263	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	775.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	23.7
67.05494	2.6
71.49078	2.9
79.05468	2.2
81.07047	4.2
84.12480	1.6
84.96043	3.7
91.05475	3.7
93.07027	2.3
95.04928	1.7
95.08605	2.5
98.96920	3.2
98.97566	47.6
105.07018	2.6
107.08574	2.0
110.97540	7.9
112.99110	7.8
116.98595	43.9
124.99100	2.2
128.98592	18.7
131.00145	23.7
134.99644	22.6
140.00175	5.8
140.98581	2.0
143.00153	8.2
146.99623	23.9
149.01196	49.4
150.99503	1.3
153.00720	2.5
158.01202	2.5
158.99651	25.0
161.01225	17.9
165.00691	4.3
167.02246	16.6
170.01248	2.5
170.99628	27.3
171.88739	1.5
172.02769	3.9
173.01222	7.2
174.99199	1.5
175.02705	2.2
176.99139	2.5
177.00688	43.8
179.02248	3.3
184.02856	1.6
184.07384	2.7
185.01221	5.6
189.00687	48.4
191.02257	11.6
194.99690	2.8
195.01788	6.3
199.02800	7.7
200.02312	4.1
201.00681	8.8
203.02260	13.8
207.01811	4.4
209.03401	1.3
211.13300	1.6
212.02258	7.5
213.00723	6.0
215.02199	3.0
217.03835	5.6
219.01749	23.5
221.03384	2.7
227.02258	4.1
231.01828	4.9
233.03320	4.5
237.02832	11.8
260.04404	1.5
261.02740	20.9
275.04306	9.6
279.03860	21.4
291.03790	4.6
293.05420	39.3
297.04779	7.8
302.05505	4.8
309.04935	5.9
311.06418	13.2
316.07074	3.0
317.17844	23.1
321.04877	100.0
332.06445	1.7
334.08014	2.8
335.18903	11.3
339.05957	11.1
358.20636	2.8
362.07535	7.2
363.05737	2.0
381.07074	6.8
399.07993	1.8
437.09653	27.3
455.10684	54.9
469.11005	1.4
539.24951	8.2
553.26624	13.3
715.32013	56.2
716.31763	2.6
771.35760	1.6
775.39423	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	775.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.4
55.12730	0.9
56.96286	2.3
56.96555	29.2
67.05491	2.7
69.07052	1.8
71.59465	1.1
79.05482	3.5
81.07057	2.9
84.68723	1.3
84.96024	5.0
86.09674	1.6
91.05484	2.9
93.07024	2.5
95.04967	1.2
95.08598	1.6
97.02930	1.4
97.99171	1.5
98.97571	44.2
102.73795	1.1
102.97065	1.3
105.07053	2.5
107.08595	1.3
110.97552	8.7
112.99117	7.9
113.29598	1.2
116.98609	44.1
116.99442	2.4
121.10033	1.6
124.99123	1.3
125.59551	1.0
128.98589	20.9
131.00150	27.4
134.99635	25.1
135.11690	1.2
139.32129	1.2
140.00209	4.0
140.98611	2.2
143.00179	8.8
143.08600	1.3
144.98114	1.3
146.99637	24.2
149.01202	48.5
152.98607	1.9
153.00740	2.6
153.56828	1.0
154.01726	1.6
158.01282	3.8
158.99635	28.5
161.01187	19.9
162.99059	1.7
163.11166	1.5
165.00705	5.1
166.01694	1.4
167.02278	16.5
168.60353	1.1
170.01254	2.3
170.99640	28.1
172.02827	4.3
173.01190	7.7
175.02847	2.1
177.00697	44.5
179.02289	3.9
182.99690	1.9
184.02802	1.3
184.07320	2.6
185.01233	8.5
187.02756	1.5
188.98978	2.4
189.00696	49.5
191.02301	10.2
194.99686	2.1
195.01744	5.2
199.02768	6.2
200.02293	4.4
201.00710	11.3
203.02293	11.3
207.01723	6.1
209.01270	1.6
212.02237	6.4
213.00670	5.6
215.02342	1.8
217.03806	8.0
219.01749	23.4
226.03711	1.3
227.02332	3.3
227.12685	1.0
231.01711	5.9
233.03337	4.9
237.02791	11.3
242.03418	2.0
255.03902	1.3
260.04514	1.8
261.02795	21.2
275.04337	10.7
279.03879	22.1
291.03836	3.7
291.19650	1.2
293.05408	40.8
297.04907	9.5
302.05460	5.3
309.04935	7.3
311.06445	16.9
316.06961	3.9
317.17828	28.1
321.04892	100.0
332.06711	1.4
334.08167	2.5
335.06317	1.6
335.18890	13.1
339.05978	10.0
358.20486	2.2
362.07605	7.3
377.19824	1.9
381.06805	6.8
399.07962	1.8
437.09674	22.0
453.09326	1.4
455.10696	49.9
473.11823	2.3
539.25189	9.2
553.26764	12.6
571.27802	1.4
715.32013	38.5
716.32300	1.6
775.38739	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	774.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62168	1.1
55.01873	2.8
55.05264	1.5
55.05507	23.1
57.03431	23.2
57.07060	3.0
65.03929	2.9
67.05497	67.6
68.98719	1.2
69.03398	4.5
69.07060	18.7
69.91417	3.1
69.91830	4.4
71.04974	4.1
71.35620	1.1
73.02884	1.3
79.05482	48.2
79.05952	2.3
81.03407	97.9
81.07046	70.3
83.04969	5.7
83.08134	2.2
83.08606	27.0
85.06546	2.2
85.97398	1.3
86.09703	2.7
91.04900	1.5
91.05468	33.0
93.07030	50.4
95.04958	31.5
95.08593	47.2
97.02877	2.7
97.06512	4.9
97.10151	8.2
99.08050	1.6
105.07023	30.0
107.04942	6.4
107.08582	31.3
109.06505	7.1
109.10137	23.1
111.04398	1.6
111.08057	8.2
114.23094	1.2
115.05421	2.2
117.07005	10.2
119.08566	27.4
121.06487	3.9
121.10129	25.7
123.04442	1.8
123.08065	3.2
123.11691	10.2
125.09609	5.0
129.06978	11.0
131.08566	18.2
133.06470	2.7
133.10115	12.6
135.08017	2.4
135.11687	15.3
137.09610	3.3
137.13222	2.3
142.07736	4.0
143.08534	2.8
145.10112	11.6
147.08035	3.6
147.11688	15.1
149.09593	5.7
149.13239	9.0
157.10104	10.7
159.11679	8.6
159.12791	1.6
161.13231	4.2
163.11168	3.2
163.14789	2.9
165.12729	2.6
169.10194	1.5
171.11674	3.7
173.13258	5.9
175.11201	10.8
175.14799	2.3
177.16406	2.1
184.07306	6.4
185.13153	2.2
187.14781	4.1
189.11201	4.5
189.12761	1.5
189.16377	1.5
193.12251	20.9
201.16318	2.4
211.13321	1.4
227.12750	5.0
243.21086	5.3
249.14740	2.2
261.22107	21.3
267.15881	88.5
273.14899	1.7
273.25446	1.4
279.23102	1.7
283.23965	1.3
301.25259	5.1
309.16934	2.8
309.20447	1.3
317.24753	4.6
335.25748	100.0
336.25861	1.7
339.26541	1.2
421.26309	1.7
435.27246	1.4
435.32529	4.5
448.09344	1.5
453.33624	8.3
461.28979	1.6
471.34698	4.5
514.44574	1.4
527.37244	58.3
545.38300	35.7
545.46594	2.1
546.39136	1.3
569.37897	4.4
612.45770	1.9
635.39838	2.2
655.70465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.6
55.05497	19.3
56.31589	3.4
57.03417	12.9
61.02914	4.4
67.05167	4.8
67.05499	77.3
69.03408	5.6
69.07062	24.4
71.04983	39.4
71.59454	5.6
74.88786	3.4
79.05485	52.9
81.03394	8.9
81.06569	5.9
81.07046	99.7
83.04987	5.6
83.08594	10.4
85.06512	10.1
86.09676	6.6
91.05473	65.2
93.07038	59.0
95.04963	7.2
95.08599	40.0
97.06512	8.7
97.10130	8.5
98.02245	2.8
99.08073	5.4
105.07021	56.2
107.08585	39.3
109.06535	4.0
109.10152	19.4
111.08078	6.4
112.23820	3.4
117.07018	19.6
119.08571	46.1
121.10140	23.5
123.11678	13.9
124.99944	3.2
125.09622	8.5
129.06972	11.4
131.08540	32.9
133.10115	51.4
135.11708	16.2
143.08513	8.4
145.10106	19.8
147.11653	27.0
149.13245	15.4
151.11162	10.5
153.12741	3.3
157.10059	14.2
159.11678	22.6
161.13229	10.4
169.10115	6.1
171.11673	9.4
173.13263	11.9
175.14807	9.0
176.13449	3.3
177.12758	5.6
183.11732	5.1
184.07350	13.4
185.13249	8.8
187.13251	6.0
187.14815	5.0
197.13292	5.9
211.14752	4.0
241.19376	10.9
243.15828	7.2
245.61076	3.2
257.17487	8.7
259.20584	33.1
261.21802	4.3
267.15817	6.0
269.17358	6.3
301.19998	29.6
315.23126	6.6
333.24161	39.2
335.25766	11.1
409.31064	7.3
413.21503	3.6
435.32050	8.1
483.34647	7.6
501.35690	100.0
509.36215	5.2
515.37299	4.1
527.30042	4.9
527.37268	68.6
533.37982	6.5
545.38348	10.5
559.40009	32.8
577.40649	4.3
624.29077	3.4
774.40607	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05261	1.5
55.05506	19.0
57.03429	19.5
57.07071	3.2
61.02952	1.5
65.03944	3.3
65.62927	1.6
67.05498	68.6
68.05146	1.4
69.03415	3.0
69.07059	14.9
71.04292	1.8
71.04602	2.5
71.04973	6.0
79.05479	47.3
80.97775	1.3
81.03407	100.0
81.07045	60.6
83.04963	6.3
83.08608	21.7
85.02884	1.8
86.09692	5.2
89.06013	2.6
91.05468	42.0
93.07032	47.6
95.04955	34.3
95.08596	40.7
97.02867	2.3
97.06526	5.9
97.10139	7.6
105.07018	26.7
105.07689	2.9
107.04948	6.3
107.08580	25.5
109.06525	5.5
109.10139	18.4
111.04421	2.4
111.08041	7.4
115.05453	2.4
117.07011	8.3
119.07762	2.7
119.08566	25.9
121.06483	4.2
121.10133	23.6
123.04410	2.3
123.08038	3.8
123.11692	6.4
125.00019	1.8
125.09609	4.7
129.06990	12.3
131.08543	19.3
133.06500	3.2
133.10095	13.8
135.11676	11.5
137.09639	3.5
142.07744	2.5
143.08572	2.4
145.10129	12.4
147.08008	3.6
147.11674	13.3
149.09569	4.3
149.13235	4.8
157.10112	10.9
159.11723	7.1
160.42712	1.3
161.13231	3.9
163.14842	3.8
171.11609	2.9
173.13231	5.4
175.11217	8.8
183.11688	2.4
184.07333	10.8
185.13281	1.8
187.14900	2.5
189.11160	1.8
193.12259	21.1
199.14833	2.0
214.18207	1.6
227.12732	5.2
243.21127	5.1
249.14926	2.2
261.18130	1.5
261.22092	16.1
267.15884	84.6
268.16074	2.2
301.14633	1.5
301.25278	4.6
317.24600	3.7
335.25751	70.6
336.26257	2.5
435.27252	2.5
435.32724	4.3
453.33600	8.0
470.48071	1.4
471.34616	3.8
491.35321	1.7
527.37244	50.2
528.37402	2.1
545.38281	34.0
559.40027	2.0
569.38300	2.4
623.25500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.9
55.05505	20.6
57.03176	1.9
57.03431	18.8
57.07088	2.6
59.04970	1.5
63.74787	1.0
65.03928	3.2
67.05498	60.6
69.03407	2.5
69.06765	1.4
69.07064	15.3
70.72800	3.9
71.04985	3.0
71.63712	1.1
79.05486	51.7
81.03410	88.0
81.07049	64.7
83.04984	7.0
83.08611	23.2
85.02873	1.5
85.06528	1.9
91.04903	1.3
91.05475	33.7
93.07037	51.0
95.04957	31.8
95.08598	46.1
97.02873	2.9
97.06525	5.4
97.10154	6.2
99.08090	1.4
105.07027	27.2
107.04942	7.7
107.08590	28.9
109.06487	5.7
109.10155	22.5
111.04427	2.0
111.08066	5.5
115.05494	1.6
116.69891	1.1
117.07031	9.4
119.08573	25.2
121.06512	5.1
121.10135	26.8
123.08050	4.2
123.11738	6.8
125.09607	4.4
129.05481	1.5
129.06984	11.0
131.08565	21.6
133.06511	2.3
133.10112	15.2
135.08072	1.9
135.11671	13.3
137.09630	2.6
137.13235	2.6
141.06972	2.0
142.07748	2.8
145.10115	10.0
147.08075	2.7
147.11664	13.5
149.09587	6.3
149.13252	7.4
157.10112	14.8
159.11662	9.1
161.13263	6.1
163.11160	2.9
163.14833	3.9
165.12708	1.9
169.10078	1.9
171.11688	2.5
173.09586	1.4
173.11899	1.2
173.13219	6.1
175.11174	9.4
175.14825	3.8
177.12674	1.3
177.16344	1.6
184.07321	2.0
185.13261	1.8
187.13271	1.5
187.14873	3.3
189.11203	4.3
193.10623	1.8
193.12245	21.4
211.13255	2.3
220.80617	1.2
223.13168	1.4
227.12657	8.0
235.13394	1.4
243.21059	6.9
249.14871	2.9
261.22153	19.6
267.15884	100.0
279.23132	2.0
299.23560	1.5
301.14337	1.8
301.25128	8.0
309.16986	2.4
317.24637	3.6
335.25769	91.4
336.26138	2.4
386.25601	1.3
417.31451	2.8
421.25558	2.4
425.34158	1.6
435.27274	2.6
435.32651	5.2
453.33521	10.0
471.34726	5.6
500.80594	1.4
509.36090	1.8
527.37305	65.9
528.37354	3.2
545.38354	44.7
545.46722	3.0
546.38501	2.6
569.38190	3.6
623.39417	1.6
635.38403	2.0
684.55530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
55.05508	23.1
57.03438	12.7
58.99393	1.5
59.04988	1.5
61.02907	3.2
65.03915	2.0
67.05499	55.7
69.03450	2.8
69.07059	15.3
71.01352	12.3
71.04986	3.9
71.59655	2.3
73.02905	3.8
77.35056	1.6
79.05486	41.9
80.28499	1.5
81.03421	4.5
81.06569	3.6
81.07046	52.6
81.07517	3.3
83.04983	5.0
83.08606	12.8
85.02897	6.3
85.06557	2.7
86.09697	2.6
91.05473	27.8
93.07037	44.1
95.04956	7.0
95.08594	35.0
97.02889	3.8
97.04708	1.5
97.06540	5.1
97.10168	10.4
99.04484	1.6
99.75333	1.6
105.07023	21.3
105.15532	1.6
107.04948	2.3
107.08590	24.7
109.06512	3.9
109.10139	26.6
111.08076	2.8
117.07005	6.4
119.08568	11.9
119.15555	1.6
120.16776	1.7
121.10141	17.8
123.08092	2.5
123.11703	3.4
124.99992	2.9
125.09628	6.1
131.08557	10.3
133.10097	10.9
135.08046	4.4
135.11674	10.0
137.09625	3.0
145.10110	7.0
147.11668	5.4
149.13193	8.5
151.11188	2.2
153.09138	3.9
159.11694	5.3
161.09528	2.7
161.13245	3.0
162.99733	1.8
163.14812	3.8
169.82317	1.5
173.13278	4.6
184.07306	10.2
187.14883	2.1
189.09253	1.5
189.11206	2.4
207.10109	2.6
225.11203	13.6
227.12794	2.8
243.21106	7.1
261.22107	21.0
267.15872	3.4
299.14859	100.0
300.15192	2.2
312.05087	1.9
317.24704	4.8
329.92764	1.6
335.25769	96.1
336.26166	3.6
483.15601	1.7
527.37238	2.9
541.35229	5.9
545.38141	2.0
559.36169	35.5
560.36292	2.4
577.36841	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	773.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.9
57.03438	14.4
57.07079	5.0
58.51065	2.5
61.02937	13.2
65.03951	4.5
67.05164	5.2
67.05505	76.6
69.03419	7.0
69.07060	24.2
71.04980	3.9
73.02900	6.9
79.05056	4.4
79.05490	58.6
81.03416	6.2
81.07059	78.6
83.08624	11.3
85.02890	10.9
85.06546	3.4
91.03909	3.9
91.05477	53.5
93.07040	64.8
95.04955	11.2
95.08607	56.3
97.02881	13.3
97.10178	5.9
98.20723	6.5
105.06358	5.3
105.07025	50.4
107.08601	37.2
109.06559	5.8
109.10168	24.8
111.08126	4.9
113.09550	2.5
114.60098	2.7
115.05473	2.8
117.07014	24.9
119.08584	38.8
119.09361	4.8
121.06480	3.7
121.10138	26.6
121.65125	3.2
123.08068	4.1
123.11716	7.4
127.03928	3.7
129.06995	13.0
131.08565	33.1
133.06506	3.4
133.10138	29.2
135.11650	19.4
141.06978	4.3
143.08542	15.0
145.10112	32.7
147.07957	4.1
147.11668	30.7
149.13214	15.5
155.08559	5.8
157.10146	14.1
159.11667	26.9
161.13235	25.0
162.68521	3.3
163.14821	5.0
169.10097	9.1
171.11632	15.5
173.13235	18.3
175.14806	12.2
181.10167	3.8
183.11745	6.2
185.13231	11.5
187.14806	7.7
197.13368	5.2
199.14886	6.1
201.12863	3.0
209.13152	3.4
211.14862	3.9
213.16310	5.6
215.18016	3.0
217.19441	3.4
225.16292	2.6
229.75671	3.2
231.21202	2.8
233.48663	2.7
241.19611	20.0
243.20955	4.4
257.18967	3.5
259.20596	39.4
261.22147	8.4
273.22375	3.4
275.20166	3.0
277.21710	3.0
281.18692	3.1
333.24246	34.4
333.76349	3.2
334.67004	3.3
335.25790	71.6
337.27405	3.6
343.22906	3.0
349.21921	3.0
367.22687	5.5
593.45410	10.9
611.46686	100.0
612.46722	3.7
701.47809	5.3
737.49384	4.2
773.42737	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05513	7.7
57.03417	4.7
57.07059	5.9
61.02922	13.1
64.08546	1.4
67.05505	16.6
69.03424	6.8
69.07059	9.3
69.42670	3.8
69.43091	8.7
71.04996	2.2
71.08616	3.4
73.02914	6.5
79.05486	12.5
79.80000	1.3
80.77884	1.3
81.03416	4.2
81.07059	18.0
83.04984	2.2
83.08617	5.3
85.02901	11.5
87.04462	1.5
89.06029	7.6
91.03941	5.1
91.05490	10.4
93.07031	14.8
94.47725	1.2
95.04975	2.1
95.08598	17.5
97.02876	10.3
97.06511	2.8
97.10181	1.5
105.07021	10.6
107.08592	8.7
109.02904	1.4
109.06490	1.5
109.10160	6.7
112.53434	1.2
117.07021	6.7
119.08603	9.3
121.10146	5.6
127.03902	2.1
129.06996	6.6
131.08583	11.7
133.08559	3.4
133.10141	8.2
135.11687	2.3
137.05983	2.3
141.06992	1.6
143.08549	9.4
145.10103	12.2
147.11665	4.7
149.13245	2.4
155.08548	5.4
157.10127	10.3
159.11667	9.1
161.13252	2.4
163.14719	1.2
169.10115	7.7
171.11647	8.3
173.13234	4.4
175.09737	1.4
181.10150	3.1
182.10835	1.5
183.11636	6.8
184.07230	1.9
185.13319	6.3
187.14809	2.9
193.10205	1.3
195.11598	3.0
197.13254	5.1
199.14763	4.9
201.16429	1.2
209.13261	3.1
211.14819	3.3
213.16422	1.9
215.17885	2.0
221.13219	2.2
223.14908	1.3
225.16428	3.1
227.18109	1.6
251.17952	1.9
267.21271	1.2
285.22079	1.2
297.22247	1.9
335.26990	1.3
430.62558	1.3
519.41901	5.0
529.38910	1.7
537.42804	2.5
540.30139	1.4
593.45947	6.6
609.44409	2.7
611.46655	100.0
612.47064	2.8
773.52185	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	2.4
55.05505	23.6
56.28570	2.5
57.03433	12.8
57.07057	3.4
58.11998	2.0
61.02916	12.0
61.15648	2.5
64.59167	2.3
65.03921	6.0
67.05499	73.0
69.03420	6.1
69.07058	28.0
71.04974	5.7
73.02913	6.9
79.05482	64.0
81.03416	5.3
81.07047	73.5
83.04954	5.5
83.08607	9.9
84.69929	2.3
85.02894	12.9
86.74326	2.2
91.03928	8.4
91.05469	58.4
93.07030	76.2
95.04934	6.6
95.08591	57.5
97.02873	10.8
97.06475	5.2
97.10151	5.8
99.08072	4.5
105.07018	56.7
107.08591	38.2
109.06503	5.8
109.10126	21.2
115.03949	2.8
115.05429	4.7
117.07004	19.2
119.08569	46.4
121.10139	28.5
123.08096	3.5
123.11665	9.0
125.09584	2.9
128.06233	3.8
129.06960	12.6
130.07773	2.8
131.08543	36.7
133.10106	37.0
135.11668	21.6
137.13266	4.0
141.06982	3.5
142.07825	2.4
143.08539	14.0
145.10101	31.2
147.11667	36.1
149.09543	2.7
149.13188	16.4
154.07698	2.5
155.08527	8.8
157.10139	14.1
159.11667	25.6
161.13228	28.8
163.14845	5.7
169.10120	7.6
171.11617	14.3
173.13292	17.7
175.14838	13.4
181.10060	3.7
183.11674	7.4
185.13239	12.1
187.14789	9.3
189.07278	2.3
189.12646	3.0
189.16415	4.1
195.11655	4.3
197.13235	4.0
199.14830	9.6
201.16325	2.9
209.13177	4.0
211.14821	4.3
213.16460	3.4
215.17870	4.3
225.16360	3.3
231.21147	4.4
241.19539	25.2
243.21088	2.9
257.18979	11.0
259.20572	45.2
261.22076	9.5
273.21930	3.2
277.21393	2.5
283.20486	4.5
301.21539	2.9
313.21509	2.7
333.24200	39.1
335.25751	80.6
337.27756	2.6
351.25626	3.1
367.22638	5.5
380.27957	3.0
459.27231	3.3
519.42194	4.1
543.39081	2.8
593.45245	9.7
609.44775	4.6
611.46655	100.0
635.47412	3.6
699.63593	2.8
701.47418	6.0
719.48077	2.7
737.49316	4.5
755.50043	4.4
773.51654	6.8
783.57751	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	773.2123
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.01860	0.4
55.05497	0.2
56.41787	0.2
57.03430	1.6
61.02914	0.8
65.03947	0.2
67.18082	0.2
68.99774	0.3
69.03419	1.6
71.04983	7.8
71.58633	0.2
71.59030	0.3
73.02883	0.3
75.04453	0.5
81.03401	1.6
81.23260	0.2
83.04977	0.4
85.02895	13.2
87.04436	0.2
91.03934	0.3
93.03430	0.2
97.02891	1.6
99.04413	0.3
103.03860	0.2
109.02853	1.4
111.00786	0.7
111.04447	0.4
119.04881	0.2
121.02864	0.9
121.03612	0.2
123.04414	0.2
123.08992	0.2
124.88040	0.2
127.03899	1.1
129.05463	2.3
135.04388	0.4
137.02321	3.0
143.03362	0.3
144.24690	0.2
145.04941	0.6
147.04395	0.4
147.06493	0.6
149.02342	0.4
153.01807	4.1
154.02101	0.3
159.04503	0.2
161.02324	0.4
163.03886	1.0
165.01819	2.7
167.03406	0.9
173.06018	0.2
177.01781	0.4
179.03314	0.3
183.02895	1.7
187.03860	0.4
189.01755	0.3
191.03368	0.6
193.01181	0.4
195.02808	0.9
201.05434	1.1
203.03169	0.2
205.04909	0.3
219.02933	0.5
229.04945	3.1
231.02818	0.3
243.02919	0.2
245.04428	0.2
247.02333	0.4
247.05962	0.5
257.04395	2.1
261.03802	0.3
265.03394	0.2
274.04700	0.8
275.01816	0.3
277.03354	0.4
283.06024	2.4
285.03830	0.9
286.04663	1.1
287.05487	1.8
293.02740	0.3
297.07523	2.0
299.01965	0.5
299.05466	21.9
300.06244	2.7
303.04944	100.0
304.05200	2.0
311.05475	2.8
311.08865	0.3
313.06979	0.8
315.04950	0.3
321.07602	0.4
323.05579	0.4
324.06357	0.4
325.03513	0.4
325.07007	5.4
327.04712	0.4
329.06506	25.2
330.06821	0.8
337.02072	0.9
337.06982	0.6
339.04755	0.3
339.08566	3.8
340.08627	0.2
345.05627	0.4
349.07025	0.8
351.05386	0.2
353.06516	9.7
354.06961	0.2
365.06531	2.2
367.08127	0.8
377.06522	2.5
383.07611	2.2
395.07568	3.5
413.08566	3.3
415.78375	0.2
431.09723	4.5
449.10794	1.2
461.10898	1.1
465.10248	21.0
466.10464	0.5
491.11801	6.4
515.11780	2.7
545.12842	4.2
557.13257	1.1
575.13959	3.0
593.14941	6.6
594.15509	0.2
611.16071	6.0
627.16138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2126
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01848	0.7
57.03429	1.7
61.02884	0.9
68.99774	0.7
69.03419	2.4
71.04984	8.8
73.02887	0.6
75.04434	0.5
76.32771	0.3
81.03394	1.8
83.04968	0.5
85.02897	14.9
87.04421	0.7
91.56821	0.2
95.04963	0.3
97.02880	2.9
99.04416	0.5
103.03886	0.3
105.03371	0.3
109.02843	2.0
111.00751	0.8
111.04379	0.5
119.04681	0.2
121.02806	1.0
125.02325	0.3
127.03902	1.7
128.95807	0.3
129.05469	2.4
134.68042	0.3
135.04355	1.1
137.01361	0.3
137.02333	4.2
141.01750	0.5
145.02849	0.3
145.04922	0.9
147.04333	0.6
147.06418	0.7
149.02332	0.7
153.01804	4.5
154.02136	0.7
161.02296	1.3
163.03888	1.9
165.01816	3.8
166.02632	0.4
167.03378	1.9
173.02248	0.3
177.01779	0.8
179.03354	0.4
183.02899	2.6
187.03821	0.7
191.03381	0.9
193.01280	0.7
195.02881	1.5
201.05457	1.0
203.03305	0.4
205.05009	0.6
207.02870	0.6
215.03297	0.5
219.02911	0.9
219.06374	0.3
229.04964	2.6
233.04485	0.8
245.04405	0.6
247.02299	0.6
247.06009	0.7
255.06537	0.4
257.04474	2.4
272.06580	0.3
274.04672	0.7
275.01849	0.8
275.04962	0.5
277.03342	0.6
283.05988	4.6
285.03943	1.4
286.04636	1.6
287.05469	4.2
293.02765	0.5
295.06018	0.6
297.07516	4.1
299.05469	42.5
300.06219	5.1
301.07117	0.4
303.04956	100.0
304.05392	1.6
309.07300	0.4
311.05551	6.4
311.09116	1.0
313.06973	1.0
315.04938	0.3
321.07584	0.8
323.05536	0.7
324.06183	0.7
325.03433	0.8
325.06998	11.7
327.05209	0.5
329.06516	47.5
330.06784	1.1
337.01996	1.7
337.07047	1.2
339.08551	6.0
341.06372	0.3
345.06042	0.6
349.07040	1.2
353.06519	18.9
354.06833	0.5
365.06534	4.6
367.08017	1.8
377.06488	4.8
383.07501	4.0
395.07556	7.1
413.08646	7.0
431.09698	9.1
449.10767	2.5
461.10870	2.2
465.10242	21.6
466.10455	0.4
491.11798	12.6
515.11871	4.8
545.12842	7.7
557.12781	1.4
575.13940	5.4
593.14966	14.3
594.15472	0.3
611.16022	10.3
667.02936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.9
58.06608	0.6
60.08157	6.8
69.71206	1.8
71.07366	4.1
79.86825	0.3
86.09701	34.9
87.09978	0.3
89.35993	0.3
93.07051	0.3
93.13676	0.3
98.21503	0.3
98.98467	3.5
104.10731	2.0
124.99998	23.5
143.01053	0.4
184.07329	100.0
185.07713	0.4
230.84998	0.3
259.64740	0.3
574.78485	0.3
581.73230	0.3
754.53644	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
55.05504	12.5
57.03432	6.1
57.07053	1.5
61.02919	17.6
65.03928	1.3
67.05494	24.8
69.03424	9.5
69.07060	11.0
70.65077	0.8
71.01328	1.3
71.04963	2.3
71.58893	1.2
73.02911	9.3
79.05006	0.9
79.05479	16.7
81.03408	4.9
81.07049	26.6
83.04972	2.1
83.08602	6.1
85.02898	13.0
87.04454	0.9
91.03931	7.8
91.05470	19.2
93.06126	0.9
93.07032	20.0
94.07372	0.9
95.04961	4.9
95.08589	20.8
96.68279	0.8
97.02879	11.4
97.06496	2.6
97.10152	3.3
99.04402	1.9
101.02371	3.6
103.05444	0.8
105.07018	15.6
107.04948	2.5
107.08581	12.4
109.02866	1.2
109.06516	1.0
109.10142	7.3
111.08064	1.2
115.05436	0.9
117.06997	8.2
119.08572	15.8
121.06462	0.9
121.10127	8.3
122.29472	0.8
123.08040	1.6
123.11694	2.8
125.09619	1.2
127.03886	2.6
128.06203	3.6
129.05414	1.0
129.06978	10.4
130.07840	1.1
131.08536	14.1
133.10104	11.6
135.08046	1.5
135.11676	4.8
137.09592	1.4
141.06989	5.4
142.07773	2.1
143.08551	12.3
145.10103	13.6
147.11659	6.1
149.09589	1.1
149.13213	3.2
153.06949	1.7
154.07744	1.8
155.08540	10.0
156.09344	1.2
157.10101	13.3
159.11687	10.8
161.13222	3.3
163.11171	0.8
163.14801	1.3
165.06956	1.1
167.08536	5.7
168.09225	1.6
169.10118	13.4
171.07858	0.8
171.11665	11.0
173.09564	0.8
173.13246	5.6
175.14809	2.1
177.12617	0.9
178.07822	0.9
179.08589	2.9
180.09369	1.5
181.10109	8.3
182.10803	1.4
183.11670	13.8
185.13220	6.8
187.14803	4.1
189.16356	1.8
189.89452	0.8
192.09377	0.9
193.10095	3.0
195.11713	8.5
197.13223	10.1
198.13910	0.8
199.14764	5.7
201.16446	1.7
207.11659	2.4
209.13245	8.9
211.14818	7.5
213.16336	3.4
219.11691	1.2
221.13167	3.7
223.14804	5.1
224.15521	1.0
225.16399	5.1
227.17958	2.0
233.13286	1.6
235.14830	2.8
237.16360	2.5
239.17909	2.8
241.19691	1.4
247.14833	1.0
249.16273	1.0
251.17918	2.0
253.19418	1.1
261.22162	1.1
263.17889	1.6
265.19440	1.5
267.15979	1.1
279.20932	0.9
295.20459	0.9
299.23645	1.0
301.25031	0.8
307.24002	0.8
309.21979	1.1
313.21671	0.9
321.21878	1.1
323.23657	1.4
325.25439	0.9
327.23166	1.2
335.25677	1.5
337.25006	1.1
339.26947	1.0
351.26855	2.3
365.28415	1.2
367.26080	0.9
391.29727	1.3
393.31790	0.9
421.30743	1.2
431.27972	0.8
444.89020	0.9
447.32376	1.2
501.35684	0.9
515.37616	1.2
517.40460	7.2
527.37177	2.9
535.41302	3.2
539.37103	1.5
541.39301	1.1
545.38300	2.5
591.43707	7.2
607.43280	2.6
609.45062	100.0
610.45526	3.6
612.46564	1.7
621.44916	1.2
735.47815	1.1
753.48187	2.9
771.38000	1.4
771.50385	19.5
772.50140	1.1
804.51990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
55.05391	7.8
55.05691	3.3
57.03313	4.0
57.03631	1.5
57.06947	1.2
57.07253	0.7
61.02795	11.9
61.03147	4.1
63.02277	0.3
63.97725	0.3
65.03828	0.8
67.05363	16.8
67.05769	4.7
69.03287	7.2
69.03712	1.9
69.06926	8.4
69.07347	2.3
71.01208	1.3
71.04844	1.3
71.08531	0.8
73.02766	7.3
73.03221	1.9
75.04351	0.3
77.91893	0.3
79.05341	13.3
79.05853	2.6
81.03265	3.8
81.03780	0.7
81.06898	19.8
81.07435	3.6
83.01215	0.4
83.04807	1.4
83.05279	0.6
83.08459	4.0
83.08994	0.7
85.02747	12.6
85.03317	2.0
85.06419	0.8
85.06890	0.4
87.04366	0.5
88.53894	0.4
91.03786	6.9
91.04420	0.6
91.05316	12.6
91.05956	1.9
93.06873	15.1
93.07522	2.1
93.07868	0.5
95.04797	2.2
95.08437	16.2
95.09111	2.3
97.02718	11.2
97.03408	1.3
97.06360	1.6
97.06921	0.6
97.09996	2.7
99.04299	1.0
101.02215	2.1
103.03825	0.4
103.05301	0.8
105.06848	13.1
105.07632	1.5
107.04839	0.6
107.08414	9.4
107.09192	1.0
109.02704	1.5
109.06329	1.1
109.09966	6.6
111.07899	1.2
115.03759	1.2
115.05259	1.4
116.06084	0.4
116.41536	0.4
117.06831	8.0
117.07720	0.7
119.08385	11.4
121.06384	0.4
121.09941	6.8
121.10892	0.6
123.07860	1.1
123.08695	0.4
123.11509	1.9
125.09429	1.2
127.03712	2.4
128.06024	2.8
129.06802	9.7
130.07619	0.7
131.08365	11.8
131.09422	0.8
133.09920	8.7
135.07896	0.8
135.11487	4.5
135.12589	0.4
137.05812	0.4
137.09477	0.7
137.13065	0.7
139.11020	0.4
141.06969	5.7
142.07556	2.3
143.08542	12.0
143.09541	0.6
144.09137	0.7
145.04825	0.5
145.06256	0.4
145.10112	11.5
145.11119	0.8
146.10495	0.4
147.11473	5.8
149.09468	0.9
149.13229	2.2
151.11063	0.4
153.01579	0.4
153.06746	1.3
154.07542	1.5
155.08539	9.5
156.09116	1.6
157.10106	11.7
158.10506	0.7
159.07913	0.6
159.11670	8.7
161.09525	0.5
161.13242	3.4
163.11038	0.5
163.14583	1.1
165.06805	1.1
166.07640	0.7
167.08563	5.0
168.09096	1.6
169.10112	11.5
169.29964	0.4
170.10667	1.2
171.07918	0.5
171.11658	11.3
172.12242	0.5
173.13243	5.3
175.11072	0.5
175.14816	2.2
178.07558	0.8
179.08617	2.1
180.09094	1.1
181.10091	7.6
182.10666	1.5
182.80525	0.4
183.11678	12.2
184.07123	0.4
185.09544	0.5
185.13234	8.1
187.10995	0.7
187.14787	3.2
189.16328	0.7
193.10150	2.6
194.10791	0.7
195.11687	8.1
196.12170	0.4
197.13237	10.1
199.14810	5.7
201.16324	2.1
203.13979	0.4
203.17874	0.5
205.09944	1.3
206.10611	0.6
207.09923	0.4
207.11652	3.8
208.12305	0.9
209.13226	6.4
210.13683	1.1
211.14767	6.2
212.15302	0.5
213.16425	3.0
215.17674	1.1
219.11543	1.1
220.12250	0.4
221.13232	2.9
222.13882	0.5
223.14786	4.9
224.15387	0.6
225.16348	4.5
227.14194	0.5
227.18097	2.1
229.19202	0.7
233.13029	1.0
233.18825	0.4
235.14909	1.9
237.16322	3.6
239.14149	0.4
239.17976	2.7
241.19325	1.3
245.18723	0.5
247.14597	1.0
249.16121	1.6
251.17897	1.8
253.19246	1.2
255.17023	0.4
255.21114	0.5
261.16116	1.3
263.17709	1.3
265.19208	1.5
267.17236	0.6
267.20868	1.1
269.18787	0.8
271.20410	0.8
277.19406	0.8
279.20905	0.9
281.18460	0.5
283.20264	0.5
293.22278	0.5
295.20142	0.6
297.21863	1.0
299.23386	0.9
307.20288	0.8
309.21945	1.0
311.23529	0.8
313.21643	0.7
321.21964	0.9
322.21091	0.4
323.23431	1.0
325.24957	0.7
333.21826	0.5
337.21341	0.6
337.25037	1.6
339.26520	0.9
341.24619	0.6
349.25049	1.2
351.26682	1.0
353.28406	0.5
355.26166	0.6
361.24881	0.5
363.26804	0.8
365.28159	1.4
367.26050	0.5
369.27731	0.5
377.28387	0.6
379.29971	0.8
381.27969	0.5
407.29004	0.4
409.31018	0.5
421.30698	0.7
425.30569	0.5
435.31836	0.6
443.33328	0.4
447.32874	0.7
449.34106	0.5
459.31995	0.5
461.32819	0.5
473.32538	0.6
475.34808	0.7
487.34393	0.8
495.34293	0.5
499.39142	1.2
501.35596	0.7
502.35855	0.4
509.35138	0.4
511.34177	0.7
515.37720	0.9
517.40338	5.4
521.36115	0.7
523.37805	0.5
527.37512	0.8
535.41528	3.8
539.37195	2.0
541.38788	1.2
545.38092	0.5
553.38794	0.4
555.41229	0.5
567.40289	0.8
573.42755	0.9
591.43915	5.7
595.46753	0.4
607.43225	1.7
609.45068	100.0
610.45465	6.6
611.46375	0.8
621.45447	1.3
633.45160	0.6
645.44879	0.4
651.46326	0.9
675.45166	0.5
717.47229	0.5
735.48596	0.6
753.49725	1.2
771.50446	16.8
772.50500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.3
57.21715	0.1
68.99784	0.1
69.03433	0.3
69.03752	0.1
70.06583	0.1
71.58451	0.1
78.58862	0.1
79.01840	7.0
81.03406	0.6
83.01356	0.1
87.00826	0.1
87.53997	0.1
91.05430	0.1
92.96947	0.1
97.02876	1.4
107.01297	1.5
109.02861	1.0
112.11180	0.1
123.00766	0.3
125.02326	4.9
127.03899	3.4
127.18245	0.1
131.04910	0.2
143.03374	9.6
145.02844	0.1
147.04485	0.1
153.01801	100.0
153.02759	3.9
154.02122	0.9
159.04356	0.3
163.03941	0.2
175.03865	0.1
177.05449	0.4
181.01256	0.2
187.03915	0.1
191.03539	0.1
205.04929	0.6
207.06528	0.1
215.03365	0.2
217.04935	0.2
219.02820	0.1
233.04396	1.3
243.02817	0.2
261.01343	0.1
261.03925	1.1
279.04947	1.8
305.02850	0.9
363.03540	0.1
434.97812	0.1
442.98425	0.1
449.06836	0.2
771.09833	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	771.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
64.53291	0.1
67.01869	0.1
69.03416	0.3
69.57989	0.2
69.58384	0.6
79.01848	6.1
81.03403	0.6
94.58116	0.1
97.02889	1.2
107.01302	1.3
107.01942	0.1
109.02866	0.8
112.11155	0.1
113.60068	0.1
123.00793	0.3
125.02342	3.9
127.03904	3.5
131.04880	0.2
143.03392	9.2
145.02846	0.1
153.01817	100.0
153.02788	4.0
154.02173	0.7
159.04419	0.3
163.03918	0.1
175.03979	0.1
177.05482	0.4
181.01271	0.1
187.03873	0.2
189.05243	0.1
205.04912	0.6
207.06413	0.1
215.03366	0.2
215.30328	0.1
217.04918	0.3
233.04401	1.3
243.02939	0.3
261.03915	1.2
273.00436	0.1
275.01764	0.1
279.04987	1.7
280.05325	0.1
302.56100	0.1
303.01587	0.1
305.02893	1.1
334.00232	0.1
374.10345	0.1
449.07047	0.2
465.55438	0.1
508.74374	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	771.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
68.99760	0.1
69.03415	0.3
69.18848	0.1
69.36401	0.1
69.36810	0.5
79.01843	7.5
80.02138	0.1
81.03406	0.5
87.00795	0.1
95.01343	0.1
97.02882	1.6
107.00600	0.1
107.01300	1.7
109.02879	1.0
112.11158	0.1
123.00740	0.4
125.02335	4.7
127.03907	3.7
131.04924	0.2
143.03377	10.0
144.03725	0.1
145.02811	0.1
147.04399	0.1
152.73929	0.1
153.01810	100.0
153.02802	3.8
154.02132	0.9
159.04375	0.4
163.03899	0.1
164.42404	0.1
171.04378	0.1
177.05434	0.2
181.01314	0.2
183.02794	0.1
187.03906	0.2
191.03490	0.1
205.04918	0.6
207.02643	0.1
215.03421	0.2
217.04947	0.2
233.04422	1.3
237.04037	0.1
243.02779	0.3
261.03912	1.2
279.04950	1.7
305.02856	1.0
431.06339	0.1
449.07486	0.1
453.01300	0.1
771.08582	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	769.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
55.05510	11.7
55.41650	0.9
57.03410	3.7
57.07067	1.3
59.56133	0.8
61.02920	4.5
65.03936	11.6
67.05163	1.4
67.05498	22.9
69.03423	9.6
69.07059	8.1
71.01328	1.2
71.04958	2.6
71.08619	1.0
71.20317	0.9
71.59640	1.3
72.09799	0.9
73.02888	2.2
78.70502	0.9
79.05489	16.5
81.03047	1.0
81.03415	12.4
81.07050	20.7
83.04977	4.8
83.08619	4.8
85.02904	6.4
87.04473	1.0
90.27340	0.8
91.03928	2.3
91.05466	18.2
92.17612	0.9
93.07035	16.6
95.04958	6.4
95.08601	13.0
97.02884	6.4
97.06512	3.1
97.10160	2.2
99.04425	2.2
99.08064	1.2
103.05451	1.3
105.07016	17.0
107.04952	3.0
107.08578	11.7
108.65314	1.0
109.02856	3.3
109.06473	1.9
109.10165	5.3
111.04428	1.5
114.74872	0.9
115.05460	1.5
117.06984	9.1
119.08584	13.4
121.02819	2.5
121.06472	1.6
121.10128	5.9
123.08067	1.6
123.11699	1.5
127.03905	4.3
128.06195	1.1
129.05508	2.0
129.06979	8.5
131.04828	1.3
131.08556	9.1
133.10106	9.4
135.07954	1.1
135.11642	3.5
137.09608	1.5
139.03902	5.0
141.06950	3.8
142.07732	1.4
143.08554	9.1
145.10095	8.9
147.04364	1.7
147.11649	6.1
149.02335	90.7
149.03403	4.9
149.09598	1.5
149.13213	2.6
150.02661	3.8
153.06953	2.4
154.07776	1.8
155.08522	5.6
156.09274	1.6
157.10078	6.5
159.08057	1.6
159.11679	7.5
161.09602	1.4
161.13258	2.4
163.11208	1.4
163.14763	1.3
165.06891	1.1
167.08556	3.7
169.10114	6.2
171.11609	5.6
173.04440	3.9
173.09383	1.1
173.13228	4.2
173.56435	0.9
175.03830	1.1
177.05489	1.2
177.12656	1.1
179.08524	2.1
181.10104	4.9
183.11705	6.9
184.07362	2.1
185.09500	1.4
185.13235	4.1
186.72087	1.0
187.14723	1.3
191.07001	1.5
193.04942	100.0
193.10107	2.5
194.05267	7.5
195.11719	4.8
197.13196	4.1
199.11086	1.3
199.14838	2.0
201.12679	1.2
201.16382	1.4
205.10165	1.4
207.11700	2.0
209.13155	2.9
211.14761	2.3
213.16260	2.0
219.06584	1.1
219.11725	1.1
221.13266	2.4
223.14731	2.9
225.05363	1.0
225.16400	1.9
227.20036	8.7
235.14851	1.9
237.12631	1.4
241.19307	1.4
249.16290	1.1
254.22943	1.0
257.19052	1.3
259.20642	2.0
271.20520	1.6
275.20081	4.8
277.85809	1.0
297.03833	1.3
299.19681	1.4
309.22089	1.8
341.06546	3.6
367.22781	1.3
385.08960	3.1
385.23645	1.3
515.38483	1.5
577.13306	1.1
589.42242	1.4
607.43536	24.9
608.43909	1.2
611.46967	1.2
625.44824	1.8
671.41376	1.9
733.46265	2.3
751.47296	2.9
769.18011	8.0
769.48700	12.9
770.17389	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	767.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.5
56.05029	1.2
58.06570	1.1
67.05466	0.8
69.07036	0.9
69.94543	3.7
72.08145	27.3
74.06071	5.8
81.07042	0.7
81.10555	0.7
84.08142	1.6
86.09692	100.0
87.09998	0.8
91.05473	1.3
96.04405	0.6
98.09695	3.8
107.08633	1.0
113.07150	1.7
126.09194	0.8
128.10706	1.1
131.08157	1.3
140.14331	4.9
141.06540	4.1
142.11247	0.7
142.12282	2.6
143.11784	11.1
149.02353	1.5
154.15906	4.4
155.11798	4.6
158.09242	0.9
159.07634	3.0
171.11259	9.1
173.12839	5.1
181.09799	1.2
181.13361	1.6
183.11386	1.9
185.16524	2.6
197.12842	0.9
197.16458	3.5
198.08760	2.1
199.14442	1.9
199.18044	10.6
201.12373	1.8
209.12900	2.8
211.18053	8.8
212.13924	3.5
213.15976	2.6
225.16028	2.9
226.15511	1.0
227.13904	2.2
227.17520	6.1
228.13441	1.4
239.17516	8.4
240.13316	4.6
253.22740	1.6
254.14993	7.9
258.14624	1.3
266.18799	1.3
270.18201	1.2
272.16138	1.3
280.20096	0.9
281.22070	0.9
283.17712	0.8
284.19604	7.2
296.19727	1.6
308.19559	1.8
311.17239	3.2
322.21289	3.0
325.22342	1.5
326.20889	1.5
338.24393	1.7
340.22522	2.0
341.21835	1.2
343.23627	1.1
352.26077	1.1
353.21774	3.0
367.23538	1.9
369.28726	2.0
371.22855	2.7
379.23401	0.9
383.26651	1.5
391.75378	0.7
396.25934	1.1
397.28186	3.9
404.55960	0.7
409.27707	0.9
410.23987	0.9
421.28293	0.9
424.25616	2.1
439.29230	2.9
442.26779	1.1
451.32773	0.8
454.30145	1.2
456.31763	1.2
466.30420	3.9
468.35495	1.3
482.37115	1.1
484.31506	2.3
492.31726	0.8
496.34921	2.2
510.36801	1.0
523.32623	6.2
537.33881	2.3
541.33539	3.4
552.37769	2.4
579.38586	3.0
591.38928	2.4
605.40289	1.3
608.41211	1.9
609.40613	2.2
618.40155	1.0
626.42474	2.2
636.40784	13.1
637.41003	1.0
650.42291	3.8
654.41785	7.2
704.46063	1.5
721.49786	1.6
722.48645	1.0
731.47125	1.1
739.50690	1.2
749.48944	7.7
767.51257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.15501	0.5
57.03424	1.9
59.41483	0.6
61.02916	7.0
65.76441	0.6
67.05502	5.5
67.10643	0.5
69.03429	3.3
69.07048	1.7
71.04963	0.9
71.59668	1.0
73.02908	4.6
79.05486	5.1
80.46225	0.6
81.03416	3.6
81.07052	5.8
81.14081	0.6
83.04931	0.9
83.08595	1.3
91.03944	4.3
91.05460	3.3
93.07027	4.6
95.04975	1.9
95.08588	3.8
97.02877	6.3
99.04428	1.1
101.02364	2.8
102.57669	0.5
105.07014	2.1
107.08594	1.9
109.02848	0.7
109.06496	0.6
109.10139	1.5
119.08562	1.7
119.61037	0.5
120.12766	0.6
121.10124	3.2
127.03927	1.8
131.08562	1.7
133.10141	1.0
135.11714	1.1
139.11234	0.9
147.11668	0.7
149.09592	1.0
173.13280	0.7
184.07367	1.3
185.04266	1.0
193.12204	0.6
209.53572	0.5
243.08466	2.9
250.13661	0.5
251.12560	1.2
258.65625	0.7
267.15891	0.9
269.11014	0.6
269.13651	2.1
271.76746	0.5
335.25751	1.5
421.68268	0.6
443.18790	4.5
469.20575	2.6
487.21561	3.8
519.29156	8.9
660.36310	0.6
721.42255	0.8
747.42371	2.7
765.43811	100.0
766.44360	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	763.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.82282	0.3
55.05503	1.4
57.03429	2.1
61.02917	5.6
67.05162	0.6
67.05497	6.2
69.03421	2.9
69.07063	1.4
71.01350	0.4
71.04990	2.4
73.02898	3.4
79.05489	3.5
81.03406	2.0
81.07046	5.8
81.71591	0.3
83.04973	0.7
83.08588	0.5
85.02890	6.1
91.03951	3.8
91.05470	2.8
93.07026	3.9
95.04934	0.6
95.08595	3.2
97.02885	5.0
98.21439	0.8
99.04447	0.8
101.02372	2.1
103.03944	0.6
105.07020	1.6
107.08570	2.6
109.02893	1.0
109.10150	1.3
115.03944	0.4
117.06998	0.4
119.08582	0.6
121.10146	1.6
123.11719	1.0
127.03916	1.7
131.08563	1.1
133.10133	1.5
135.11708	1.2
139.10959	0.4
145.10098	0.8
147.11726	0.6
149.13297	0.5
151.11211	0.4
159.11641	0.4
177.72786	0.4
203.05222	0.4
243.08366	2.2
257.17587	0.5
267.15631	1.8
335.25787	0.8
485.23587	3.9
519.29285	8.7
520.29517	0.6
763.45911	100.0
764.46271	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	765.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57977	0.3
69.38592	3.4
70.62186	0.3
77.10560	0.3
79.91866	0.3
80.94855	2.9
84.84581	0.4
85.08499	0.3
94.93007	0.3
98.20800	0.7
98.21452	0.6
102.40961	0.3
112.89614	0.4
144.93105	0.3
165.00146	1.6
177.00047	1.6
183.01083	0.4
185.04204	12.4
195.01178	0.6
200.97504	0.3
203.05246	27.9
207.01030	0.4
235.83084	0.3
260.99960	0.7
267.03253	1.0
365.10513	100.0
366.10849	1.5
387.07602	1.0
405.08554	0.4
422.90732	1.3
423.06339	8.9
447.09906	0.5
618.44617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
55.36768	0.9
57.03436	2.7
60.08157	1.9
61.02921	5.6
67.05493	7.1
69.03429	4.0
69.39358	1.5
69.39767	6.1
71.01339	1.0
71.04943	1.0
71.07357	0.8
72.76579	0.8
73.02922	5.1
73.40046	0.9
79.05491	5.3
81.03414	2.7
81.07014	4.8
85.02893	6.6
86.09692	15.9
86.38897	0.8
87.10033	2.0
91.03957	3.6
91.05481	2.0
91.46779	0.8
93.07040	4.4
95.04960	1.4
95.08604	4.3
97.02867	4.7
98.20777	1.6
98.98463	2.0
99.04438	0.9
101.02406	2.3
105.07018	1.9
107.08603	3.7
109.10170	2.6
117.07002	0.9
119.08543	1.5
121.10140	2.1
124.99994	12.4
127.03925	1.8
133.10118	1.3
135.11711	1.7
145.04956	1.1
145.10085	1.3
163.11096	1.2
184.07320	52.3
185.07664	6.2
227.16475	1.0
243.08452	2.3
277.59769	1.1
335.26050	1.0
409.59244	0.9
411.19855	2.0
413.18130	1.5
467.19025	1.7
485.19882	3.3
485.74658	1.0
508.49911	1.0
519.29266	7.9
689.41595	1.3
691.40106	1.2
713.45978	3.1
745.41028	3.2
763.42072	100.0
764.42645	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	763.1708
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
55.01870	0.5
55.05506	0.7
57.03432	6.0
59.05012	0.3
61.02930	0.3
68.99780	0.4
69.03427	1.1
69.51990	1.9
71.01366	0.4
71.04987	39.4
72.05309	0.4
73.02912	0.9
75.04479	1.7
79.01853	2.3
81.03419	0.8
83.04976	3.2
83.72406	0.2
85.02899	44.5
87.04471	1.0
91.05447	0.3
97.02885	8.5
99.04455	0.6
103.03976	0.3
103.05493	0.5
107.01315	0.7
109.02879	1.2
111.00812	0.4
111.04436	1.3
125.02338	2.2
127.03925	1.9
127.04738	0.4
129.05470	15.3
131.04893	1.5
133.48323	0.3
135.04280	0.3
137.02328	1.6
143.03372	4.6
145.02844	0.3
145.04968	0.5
147.04445	0.5
147.06505	4.1
149.05988	0.5
151.03922	0.3
153.01816	100.0
154.02145	1.2
159.04405	3.7
161.05984	0.5
163.03897	1.5
165.01863	1.1
165.05505	0.4
171.02882	1.6
171.04330	0.5
175.03900	0.9
177.05455	1.8
179.03418	1.3
179.07062	0.5
181.01314	1.2
183.02901	0.8
187.03882	1.2
191.03387	2.5
193.01399	0.3
193.04964	0.7
195.02853	0.7
197.00774	0.7
201.05385	0.6
203.03345	0.5
205.04933	7.0
207.00900	0.4
207.02873	7.8
209.04457	0.8
211.02342	0.5
215.03317	1.6
217.05014	0.4
219.02953	0.4
221.04420	3.7
223.02379	1.0
229.05000	1.7
231.02890	0.3
233.04422	10.2
235.02354	1.0
237.03943	2.2
249.03955	2.7
251.05461	1.0
257.04453	1.0
261.03952	3.2
279.04984	8.0
285.03943	0.9
297.06024	8.4
299.07724	0.5
303.04965	34.2
304.05359	0.9
315.07095	21.5
316.07364	0.8
423.90143	0.3
438.60837	0.3
465.09708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
58.06610	0.4
60.08159	6.2
61.02917	0.5
67.05505	0.8
67.79596	0.2
69.03431	0.2
69.39149	0.5
69.39557	1.2
71.07370	3.0
73.02908	0.2
76.22388	0.2
81.03411	0.4
81.07047	0.5
83.08611	0.2
85.02900	0.4
86.09700	28.6
91.05482	0.4
93.07037	0.6
95.04970	0.3
95.08598	0.4
97.02905	0.4
97.10165	0.2
98.98456	2.8
104.10720	2.1
105.06989	0.2
107.08575	0.3
109.10204	0.2
124.99997	18.6
135.07944	0.2
143.01076	0.5
166.50000	0.2
173.68596	0.2
184.07327	100.0
185.07672	0.6
256.38895	0.2
443.60995	0.2
490.65549	0.2
519.29004	0.3
529.38739	0.3
540.80115	0.2
547.38788	0.3
623.64886	0.2
712.45520	5.5
713.45465	0.3
726.72565	0.2
745.40771	0.2
762.40436	0.8
763.42206	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	762.556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.05497	3.1
57.03415	1.2
57.07071	36.4
61.02904	2.9
67.05499	2.5
69.07059	3.0
70.06576	2.1
71.05002	1.5
71.08624	22.6
71.58892	0.9
73.02891	3.2
73.06554	10.3
74.12883	1.0
79.05466	2.9
81.07058	2.9
83.04977	1.2
83.08593	2.8
85.02895	1.6
85.09706	1.8
85.10178	20.9
86.09700	3.5
87.04467	14.1
88.07607	1.3
89.06023	100.0
91.03976	1.7
91.05465	1.3
93.07057	2.8
95.04973	2.2
95.08576	2.4
97.02876	2.3
97.10155	2.2
99.11726	4.1
105.03378	3.0
105.06995	2.1
107.07076	4.8
107.08560	1.9
113.13232	1.4
117.09121	10.9
120.08881	1.3
124.99978	2.5
130.08617	2.7
131.07027	3.5
133.08585	53.6
135.10172	1.3
135.11646	1.6
149.05972	2.0
155.17909	5.5
161.11694	2.6
175.09567	2.5
177.11182	20.2
184.07312	9.5
199.20531	2.9
201.91829	1.1
219.12408	1.2
221.13814	2.2
221.44305	1.1
230.67696	1.1
239.14883	1.6
243.23134	7.5
256.26352	3.2
283.17511	1.9
286.17404	1.5
287.25711	3.9
370.87662	1.3
519.28943	2.1
534.63434	1.2
704.00537	1.4
745.41022	2.2
762.40356	11.8
762.55054	1.7
763.42114	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.4
58.06601	0.4
60.08157	5.9
60.86624	0.2
67.05485	0.9
69.07053	0.3
71.07369	2.7
71.08597	0.2
71.42011	0.2
79.05497	0.4
81.03393	0.6
81.07037	0.5
83.08622	0.2
86.09696	25.9
91.05456	0.5
93.07020	0.4
95.08603	0.4
98.98454	3.0
104.10723	2.2
119.08527	0.3
124.99995	16.3
143.00990	0.5
173.36606	0.2
184.07321	100.0
185.07669	0.6
216.68921	0.2
231.38303	0.2
267.16019	0.4
337.27182	0.5
547.38654	0.4
565.45410	0.2
712.45325	5.5
713.45282	0.3
762.40259	0.7
763.41827	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	761.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05507	0.9
57.03424	1.7
61.02914	3.1
67.05499	2.2
69.03426	1.9
73.02905	2.0
79.05492	3.7
81.03414	1.1
81.07047	3.0
83.08620	0.8
83.65575	0.6
85.02895	3.8
91.03965	2.0
91.05479	3.0
93.07040	5.4
95.04977	1.4
95.08591	4.0
97.02869	1.8
98.20699	1.6
99.04476	0.8
105.07030	3.4
107.08579	2.9
117.07032	1.1
119.08551	1.5
120.95409	0.7
121.10130	1.1
127.03893	0.9
133.10152	1.8
135.11705	3.2
145.10112	2.3
163.11165	4.8
181.12350	0.8
184.07356	2.7
185.04269	1.0
227.12784	2.8
243.08391	3.0
249.10959	6.6
257.94531	0.7
301.08847	1.2
305.13702	2.2
315.10269	1.0
340.61487	0.9
433.42764	0.7
443.19199	1.4
467.18860	15.3
535.28656	7.0
539.20966	1.9
567.24023	0.9
761.40729	100.0
762.40662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89306	0.5
61.02929	0.8
63.25082	0.5
67.05495	1.5
70.78567	1.3
70.78938	1.2
79.05489	0.7
81.07050	1.1
89.06038	1.2
93.07034	0.8
95.08618	0.8
110.15242	0.6
118.63171	0.6
122.43449	0.5
161.46672	0.5
167.71106	0.5
184.07329	1.4
189.90181	0.5
265.08316	0.9
283.08499	0.8
373.02151	0.6
374.35028	0.5
535.26587	1.6
558.53510	0.6
701.05695	0.8
761.38568	100.0
762.39862	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	761.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01862	0.6
55.05491	1.1
57.03416	1.6
59.04976	1.1
61.02919	4.4
67.05497	2.4
69.03413	2.5
69.07053	1.0
70.06570	0.4
70.06969	1.0
70.07373	0.9
71.04979	2.6
73.02914	2.3
79.05487	3.6
79.77521	0.3
79.98286	0.4
81.03416	5.8
81.07040	2.9
83.04971	0.9
83.08608	1.4
85.02904	4.1
85.06536	0.6
87.04465	0.7
91.03960	2.6
91.05468	4.0
93.07027	3.1
95.04973	1.5
95.08587	1.9
95.83715	0.4
97.02877	3.3
97.06511	0.9
99.04450	0.8
101.02384	1.5
103.03975	0.6
105.07027	2.3
107.04885	0.4
107.08578	2.4
109.02848	1.0
109.06512	0.8
109.10125	0.6
111.08060	0.8
115.03943	0.4
119.08575	1.8
121.10126	3.3
123.08072	0.6
123.11765	0.5
127.03909	1.3
129.07002	1.1
131.08571	2.2
133.10100	1.8
137.06007	0.4
145.02756	0.4
145.10109	0.5
147.04456	0.9
147.08080	0.4
147.11702	2.0
149.09567	3.2
157.10149	1.0
163.11165	0.4
165.12769	0.6
175.11205	1.1
183.02898	0.4
185.04211	0.4
193.12251	3.3
207.06624	0.9
225.14877	0.8
243.08424	2.6
253.14232	0.5
267.15891	2.0
269.12207	0.6
283.06363	1.7
283.15125	6.5
339.17911	2.0
441.21036	0.5
469.20328	0.9
483.21454	0.5
501.23044	30.0
502.23517	0.8
570.31097	0.5
599.33765	0.8
612.36609	0.5
761.39191	100.0
762.39441	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	761.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.6
55.05497	1.5
55.49485	0.6
55.68660	0.6
57.03410	0.7
67.05504	3.9
69.07059	1.1
70.21726	2.3
77.33531	0.5
79.05482	2.4
81.07045	2.5
83.04958	0.5
91.05474	1.6
93.07020	1.6
95.08591	1.9
97.10121	1.0
105.07027	0.8
107.08606	1.1
109.10163	1.3
119.08590	0.8
121.10157	0.8
125.09716	0.8
131.08536	0.7
133.10147	0.6
181.09703	0.6
184.07303	1.5
229.14357	1.2
275.81763	0.6
335.25897	2.2
336.26205	2.4
370.06271	0.6
390.73010	0.6
478.36130	1.0
483.16208	0.9
546.38763	0.6
578.13617	0.7
761.38617	100.0
762.39056	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	761.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.25435	0.4
58.06591	3.5
63.02364	1.2
65.03946	2.6
70.06565	0.4
72.08147	3.0
77.03936	0.7
78.04673	0.5
84.08134	13.5
89.03394	0.9
89.03908	10.8
89.04441	0.4
91.05471	26.6
94.57170	0.4
95.04956	0.9
98.09644	0.7
103.05438	0.8
105.03388	0.5
106.04129	0.6
107.04909	0.5
110.09669	1.3
112.11234	36.8
113.07076	0.8
117.03367	24.9
118.06496	0.8
119.04932	47.5
121.06464	0.6
127.60506	0.5
129.03374	0.5
129.04442	0.5
129.13866	36.8
131.04898	0.6
132.02052	0.9
133.02768	0.5
134.03606	2.0
135.04440	2.4
137.05963	0.6
145.02832	64.4
147.04393	53.4
147.05280	0.9
148.04745	0.5
149.02312	0.7
149.05959	7.8
153.01842	0.9
155.11783	10.7
157.03966	3.0
157.05080	0.5
162.03127	0.7
163.03911	0.9
164.04677	0.6
167.07024	1.5
168.07344	0.6
174.05466	1.9
175.03891	66.7
176.04350	0.6
177.05453	80.6
178.05855	0.7
179.07045	2.2
186.05461	1.5
191.07112	0.5
192.04074	0.5
203.11902	0.5
204.10164	2.9
206.08087	2.2
207.06509	80.0
208.06865	0.7
218.10284	0.6
220.09636	0.6
233.12846	5.4
234.11226	38.4
235.11555	0.6
245.10440	0.5
247.10852	0.8
248.09172	0.8
249.09903	1.0
263.13919	5.9
264.12277	67.2
265.12729	1.3
275.17520	1.5
305.18555	15.7
305.22079	0.9
322.21161	0.4
335.15564	1.1
335.19617	21.6
349.25708	0.5
354.81845	0.5
379.27145	1.2
389.14874	0.8
403.25833	0.5
409.28748	0.7
459.61060	0.5
481.23398	1.1
511.24323	0.6
537.30634	2.1
555.31677	13.4
567.31769	5.8
572.54224	0.5
585.32758	16.6
586.32898	0.8
597.32495	2.7
615.33862	7.6
623.58435	0.6
743.35260	0.5
744.34863	2.0
761.37518	100.0
762.38043	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	761.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	2.0
58.06826	0.4
63.02366	1.3
63.12132	0.4
69.32121	0.4
69.42717	3.9
70.28632	0.4
72.08142	2.0
78.04674	0.9
84.07690	0.5
84.08136	9.1
89.03906	11.4
91.05468	16.5
95.04954	0.5
98.09683	0.6
103.05437	0.7
105.03374	1.0
106.04124	0.5
110.07123	0.4
110.09638	1.2
112.11230	28.3
113.07084	0.9
117.03368	27.9
118.06519	0.5
119.04932	29.9
120.05238	0.6
129.13861	25.9
134.03595	1.6
135.04393	2.3
145.02829	70.3
146.03169	1.1
146.05946	0.9
147.04395	35.8
149.05960	8.1
155.11777	8.2
157.03938	1.9
163.03914	1.0
164.04668	0.7
174.05476	1.5
175.03894	51.1
176.04262	0.5
177.05447	85.7
178.05797	1.5
179.07008	1.5
186.05484	1.2
191.07072	0.5
192.04161	0.5
204.10123	0.8
206.08078	1.4
207.06503	60.3
208.06836	1.1
218.08319	0.4
218.10410	1.0
219.08871	0.7
229.20187	0.4
233.12796	4.6
234.11221	44.8
235.11618	0.9
247.10739	0.8
248.09166	0.9
248.13054	0.4
249.09918	0.6
263.13916	5.6
264.12274	55.4
265.12622	1.4
275.17468	0.8
305.18546	16.2
335.19617	17.5
336.19901	0.5
379.27155	1.0
481.23389	1.0
511.23993	0.9
537.30383	1.1
555.31738	10.6
567.31689	6.4
585.32819	20.2
586.33020	1.1
597.32843	1.3
615.33984	2.7
743.35596	0.6
744.34564	0.7
761.37476	100.0
762.37695	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	759.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
53.05634	0.3
55.01866	0.6
55.05510	2.6
57.03438	2.2
57.07072	0.7
57.27310	0.4
61.02921	4.9
65.03931	0.7
66.82542	0.4
67.03274	0.4
67.05502	8.9
68.05821	0.4
69.03417	2.8
69.07060	2.6
69.33469	4.0
71.04983	0.6
73.02911	2.8
75.21616	0.3
79.05489	8.0
80.05825	0.6
81.03413	3.5
81.07054	7.6
82.07349	0.5
83.04980	1.1
83.08613	1.2
85.02901	4.2
85.06581	0.4
86.09695	1.6
91.03936	2.4
91.05476	6.3
92.05814	0.4
93.07036	9.9
94.07356	0.6
94.24439	0.4
95.04978	2.5
95.08598	4.7
96.08933	0.6
97.02910	3.1
97.06543	0.9
97.10163	0.6
97.92625	0.4
99.04465	1.0
101.02383	1.7
105.07028	5.1
107.04974	1.1
107.08598	4.2
109.02873	0.9
109.06518	0.5
109.10149	1.5
111.04465	0.6
111.08074	0.8
117.06996	1.8
119.08582	4.6
121.06486	0.6
121.10123	2.8
123.08150	0.6
123.11701	0.4
125.00007	1.1
125.09525	0.4
127.03925	1.3
129.05458	0.5
129.07004	1.1
131.08569	2.2
132.08910	0.5
133.06534	0.5
133.10109	2.4
135.11687	1.8
136.12016	0.5
143.08560	1.3
145.10083	2.2
147.08057	0.4
147.11685	2.6
149.09676	0.4
156.27596	0.3
159.11705	0.7
161.13286	1.3
163.11188	0.8
164.11586	0.5
171.11705	1.2
173.09624	0.5
173.13243	0.6
184.07326	4.6
185.04306	0.8
191.10832	0.4
207.13902	0.5
227.12857	0.5
243.08414	3.5
243.21088	0.4
247.13147	1.7
261.22153	0.5
265.14136	0.4
266.14621	0.4
267.15979	1.6
281.10660	0.5
281.17471	0.5
283.15424	1.2
284.15845	1.1
301.09094	1.0
301.16464	1.5
303.15656	0.6
315.10614	0.9
335.25851	3.2
336.26288	2.3
371.17175	0.7
373.11136	0.6
379.19516	0.8
391.39590	0.4
449.95428	0.5
465.20911	9.3
495.22107	0.7
527.37555	0.9
535.28815	6.5
536.29578	0.4
537.23041	1.9
544.37250	2.0
545.38611	0.9
561.37714	0.6
562.38177	2.4
759.42853	100.0
760.43231	7.5
771.38922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01864	0.9
55.05511	2.3
56.96545	0.7
57.03428	2.4
57.07085	0.5
60.89277	0.4
61.02925	4.5
65.03941	0.6
67.05498	7.3
69.03416	2.7
69.07063	1.8
69.47424	2.9
71.04981	0.7
73.02912	2.8
79.05486	8.4
81.03414	3.0
81.07050	7.0
83.04988	1.1
83.08621	1.6
85.02899	4.2
86.09711	1.7
91.03945	2.1
91.05470	6.6
93.07030	7.8
94.07376	0.4
95.04958	2.5
95.08590	4.6
97.02886	3.0
97.06524	0.6
97.10166	0.4
99.04467	0.7
101.02384	1.2
103.04002	0.4
105.07008	4.3
107.04983	0.4
107.08588	3.5
109.02859	0.9
109.06511	0.7
109.10156	1.6
111.08118	0.4
115.03966	0.4
115.17754	0.3
117.07043	1.1
119.08575	4.0
120.07947	0.4
121.10123	2.2
123.07996	0.4
123.11724	0.4
125.00027	0.8
127.03909	1.3
129.05556	0.3
129.07027	1.4
131.08565	1.3
133.10110	2.3
135.11696	1.2
140.80103	0.4
143.08569	0.7
145.10120	1.9
147.11681	3.3
149.09608	0.4
149.13275	0.4
159.11707	1.0
161.09578	0.4
161.13246	1.1
163.11165	0.5
168.95932	0.4
171.11690	1.7
175.14801	0.5
179.69177	0.3
184.07307	3.9
185.04294	0.7
209.11784	0.7
210.12065	0.5
243.08400	2.7
247.13158	1.3
267.16052	1.4
281.10754	0.5
281.17676	0.5
301.09006	1.4
301.16531	1.0
302.16931	0.6
315.10614	0.7
317.20474	0.4
333.17316	0.6
335.25769	2.3
336.26239	1.6
379.19730	1.5
379.70068	0.7
385.18469	0.5
387.12537	0.5
429.17389	0.5
465.20944	10.0
465.27505	0.6
495.22064	1.1
527.37262	0.8
535.28680	5.0
537.23248	1.2
562.38348	0.8
689.35425	0.5
759.42810	100.0
760.43372	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	758.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01868	1.2
55.05505	14.6
57.03432	5.6
57.07061	2.8
59.05006	0.8
61.02916	3.3
65.03937	2.1
67.05497	58.6
68.05830	0.6
69.03419	2.1
69.07063	10.6
71.04986	16.9
71.50240	0.9
79.05486	35.3
81.03400	0.8
81.07047	86.1
82.07391	1.0
83.04965	3.4
83.08617	7.0
84.70898	0.7
85.02908	2.0
85.06535	6.6
86.09682	1.1
91.05473	24.1
93.07033	36.3
93.90189	0.6
95.04958	4.0
95.08598	26.8
97.02905	1.4
97.06528	3.7
97.10175	2.1
99.08086	1.2
105.04575	0.7
105.06323	0.4
105.07016	14.6
107.08584	18.0
109.06483	1.2
109.10139	11.3
109.10812	0.9
111.08085	2.6
117.07004	5.1
119.08564	8.4
121.10131	14.2
123.08088	0.7
123.11687	13.3
124.99961	0.9
125.09586	0.8
127.07511	0.7
131.08562	6.5
133.10117	15.7
135.11673	7.8
139.11151	0.9
143.08566	1.0
145.10115	4.7
147.11652	4.0
149.13258	5.0
151.11156	6.3
153.12587	0.7
159.11673	4.3
161.13274	1.9
169.12253	1.1
171.11717	0.9
173.13242	2.5
175.14832	1.8
177.10895	0.5
177.12775	2.5
183.13840	2.6
184.07288	4.3
187.13300	4.4
187.14833	1.1
194.04608	0.6
195.13811	1.8
201.14847	0.8
205.10034	0.7
213.54420	0.7
227.16327	1.3
243.15939	1.0
257.17307	1.5
261.22202	2.6
269.17426	4.0
301.20050	15.8
317.24823	2.1
335.25769	32.2
336.26025	1.8
411.32751	1.1
485.36237	1.4
503.37250	100.0
504.37650	6.1
517.38684	5.0
529.38904	13.0
529.46674	0.6
530.39038	0.8
547.39771	0.7
561.41467	94.1
562.41833	6.2
569.32294	0.7
705.30847	0.7
705.45148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01854	5.5
55.05265	2.0
55.05507	29.1
57.03428	15.9
57.07066	3.4
59.04998	2.3
60.08161	1.3
61.02914	6.2
65.03924	5.0
67.05496	100.0
69.03419	4.9
69.06708	2.5
69.07056	26.0
70.16283	3.9
70.16689	3.3
71.04982	4.0
73.02897	3.0
79.05481	69.5
81.03409	7.3
81.07047	81.0
83.04970	17.5
83.08611	14.5
85.02888	10.6
85.06526	5.6
86.09705	9.5
87.10043	1.5
91.03935	2.8
91.05471	53.9
93.07031	74.1
95.04948	20.5
95.08592	52.9
97.02848	9.5
97.06527	12.6
97.10148	6.9
99.04480	2.8
99.08061	2.3
103.05428	1.5
105.06304	1.9
105.07009	37.2
107.04924	11.2
107.08577	41.7
109.06519	8.4
109.10144	30.2
111.04435	14.7
111.08056	6.8
113.05981	3.0
115.05446	2.8
117.07008	20.3
119.08566	30.9
121.06490	6.6
121.10123	29.1
123.08046	6.9
123.11693	8.6
124.99981	5.5
125.05981	3.1
125.09600	4.4
127.03893	2.2
128.06244	2.1
129.06981	9.2
130.07799	2.0
131.08545	27.2
133.06488	1.7
133.10114	29.2
135.08067	7.6
135.11681	28.7
137.09616	5.0
143.08543	8.5
144.09276	1.8
145.06485	4.4
145.10098	28.9
147.08025	4.9
147.11665	16.0
149.09601	8.2
149.13246	6.5
151.11172	4.4
155.08508	7.0
157.10046	8.3
159.08084	2.6
159.11665	12.4
161.09587	4.0
161.13243	6.5
163.11174	14.7
163.14833	2.3
165.12700	1.6
167.08548	2.1
169.10114	4.1
171.08022	1.7
171.11682	7.4
173.09625	9.1
173.11838	2.4
173.13173	9.8
175.11150	3.3
175.14787	2.5
181.10176	4.2
181.12175	3.5
183.11691	5.3
184.07309	29.5
185.13235	5.7
187.11247	1.8
187.14813	5.0
189.11206	1.8
189.12718	1.6
191.10616	8.1
195.11723	2.2
197.13307	2.4
199.11180	2.2
199.14845	3.6
201.12721	2.2
203.14240	2.5
209.11691	22.6
209.13400	1.2
213.16467	2.8
217.15962	2.1
220.56894	1.3
227.12733	6.4
227.16270	2.6
229.14285	4.2
243.21194	3.6
253.14317	4.6
255.15840	4.1
256.98593	1.4
259.20554	4.9
261.21994	9.6
267.15732	1.9
271.15298	1.6
273.22034	7.2
277.21603	2.3
279.23233	1.6
283.15350	70.2
285.16916	3.1
289.21606	3.1
297.22162	3.4
299.20023	3.3
299.23431	2.0
301.16446	14.2
301.21481	3.9
315.23010	7.2
317.21152	2.7
317.24487	2.3
333.24084	4.0
335.25784	56.5
357.23920	1.8
363.24966	1.5
371.26248	1.6
373.23685	4.4
389.26834	1.8
391.24524	2.1
415.29727	2.4
423.32547	3.1
433.30917	9.5
451.32007	17.1
462.17386	1.5
469.33130	10.6
487.34140	4.9
507.34421	2.3
515.36639	2.7
525.35687	22.5
543.36774	88.6
544.36823	3.4
561.37659	31.6
562.38245	1.9
639.83942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01867	7.8
55.05258	2.4
55.05504	31.3
57.03178	2.3
57.03432	18.9
57.07044	2.1
61.02925	7.7
65.03923	3.8
67.05497	92.8
69.03404	4.0
69.07059	22.3
70.84809	3.4
71.01337	2.6
71.04985	6.6
71.05320	1.2
73.02906	2.4
77.03922	1.5
79.05484	69.3
81.03411	16.5
81.07048	89.4
83.01321	1.5
83.04972	20.8
83.08612	15.6
85.02893	12.4
85.06520	5.1
86.09686	2.6
87.37255	1.1
91.03941	2.0
91.05471	47.0
93.07034	78.6
94.38696	1.2
95.04956	17.0
95.08598	56.3
97.02877	14.2
97.06534	10.1
97.10172	8.1
99.04433	4.3
99.08059	1.6
101.05744	1.1
103.05466	1.8
105.07018	34.7
107.04953	12.7
107.08580	46.5
109.02855	2.1
109.06522	6.4
109.09447	2.2
109.10146	30.3
111.01820	1.3
111.04436	16.7
111.08073	7.9
117.07005	19.9
119.08566	31.5
121.06506	6.4
121.10127	33.2
123.04405	2.0
123.08062	8.5
123.11678	9.3
124.99972	2.4
125.05975	3.8
125.09597	6.1
129.06975	6.9
130.07722	2.3
131.04926	1.5
131.08559	23.6
133.06396	1.4
133.10110	24.0
134.10545	1.2
135.08052	4.5
135.11678	29.0
137.09598	3.8
137.13200	1.4
139.11179	2.3
141.06975	1.5
143.08543	6.9
145.06439	3.1
145.10107	33.7
147.08046	6.9
147.11664	9.6
149.09596	7.3
149.13229	7.0
151.11194	3.5
153.09103	1.4
153.12718	12.4
155.08528	4.5
157.10138	5.0
159.08058	2.1
159.11684	10.9
161.09595	2.9
161.13274	5.7
163.11172	30.8
163.14796	4.1
165.12708	1.4
167.10634	1.6
171.08104	1.4
171.11684	4.4
173.09618	9.0
173.11938	1.4
173.13225	7.4
175.14790	4.5
181.10146	2.0
181.12242	7.7
183.11754	2.1
184.07378	10.9
185.13271	2.2
187.11263	2.0
187.14841	3.3
191.10675	12.8
197.13251	1.2
199.13120	2.1
199.14853	2.1
201.16142	1.2
209.11676	32.3
209.13571	2.1
213.12845	1.6
227.12755	19.9
229.14240	2.9
243.21091	5.6
253.14342	2.3
255.16035	2.3
258.46518	1.3
259.20535	3.2
261.22134	15.9
265.14212	3.4
271.20520	1.6
273.22134	3.0
277.21637	1.8
283.15372	61.1
284.37469	1.3
285.16974	1.5
297.21936	2.0
299.14874	3.0
299.23413	1.8
300.15170	1.6
301.16428	59.4
315.23209	2.8
317.24741	3.8
321.22241	1.5
327.23160	2.1
333.24219	2.5
335.25781	100.0
336.25986	3.7
337.26596	1.8
433.31039	5.8
441.33862	1.4
451.32050	11.2
469.33203	10.3
487.34225	3.0
507.33984	1.8
515.37201	2.5
525.35706	18.4
543.36737	81.9
544.36932	2.6
561.37726	53.5
562.38080	1.8
751.83673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01864	6.7
55.05505	22.0
57.03431	15.1
57.07062	3.2
61.02912	5.0
65.03926	3.3
67.05494	72.4
69.03424	4.2
69.07057	22.4
71.01342	2.6
71.04980	5.7
71.58912	2.4
79.05480	59.7
81.03400	15.8
81.07041	64.9
83.04971	16.1
83.08599	10.2
85.02892	8.6
85.06530	4.0
86.09690	7.3
91.03932	1.6
91.05466	33.3
93.07030	69.5
95.04962	16.8
95.08593	49.8
97.02892	7.4
97.06505	11.1
97.10152	6.6
99.04434	1.8
99.08127	1.4
105.07005	23.1
107.04942	9.6
107.08577	35.1
109.06496	5.5
109.10138	23.8
111.04427	12.4
111.08089	3.1
111.11736	3.4
117.07012	12.4
119.08563	22.6
121.06525	5.6
121.10127	50.0
123.08046	4.5
123.11679	6.8
124.99996	4.8
125.05961	2.1
125.09622	4.1
129.06990	4.2
130.07712	1.9
131.08551	20.4
133.10136	14.5
135.08025	2.9
135.11676	30.4
137.09613	3.2
137.13237	1.8
139.07567	1.5
139.11157	8.3
143.08624	2.4
145.06451	2.6
145.10103	27.2
147.07986	2.1
147.11684	6.6
149.09590	7.8
149.13252	5.8
151.11105	1.6
153.09079	1.6
153.12730	11.1
155.08556	3.9
157.10089	4.2
159.11649	7.5
161.13225	4.9
163.11148	29.6
163.14833	3.7
169.10115	1.6
171.11752	2.1
173.09586	7.7
173.13274	8.0
181.12198	12.6
183.11612	1.5
184.07303	26.5
185.11745	3.1
185.13284	1.8
187.14809	3.4
189.11273	2.5
191.10620	9.7
203.12569	1.6
209.11658	18.6
227.12726	20.1
243.21140	4.5
245.13797	24.1
245.16159	1.7
259.20633	3.1
261.22073	15.5
265.14325	2.5
267.15930	2.5
283.15356	34.5
299.23700	2.0
301.16409	82.5
301.21637	2.5
302.16641	1.6
315.23160	2.3
317.24881	3.3
333.24124	2.7
335.25745	100.0
336.26126	2.5
433.31116	2.5
451.32059	5.7
469.32996	4.2
487.34213	2.2
525.35681	6.7
543.36737	34.6
561.37750	86.2
562.38300	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	758.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.6
55.01866	11.4
55.05260	4.3
55.05506	44.9
57.03432	16.1
57.07073	3.3
61.02904	3.2
64.15810	2.3
64.97574	2.3
65.03931	5.6
67.05498	100.0
67.05869	4.9
69.03404	6.1
69.07063	25.2
69.72507	5.7
69.72923	13.9
71.01350	4.7
71.04981	9.1
73.02911	5.3
79.05487	79.6
79.05952	4.1
81.03411	46.3
81.07051	87.0
83.04967	16.3
83.08614	18.4
85.02899	10.7
85.06536	5.1
86.09689	18.3
91.05470	50.8
93.07033	78.2
95.04963	18.0
95.08603	57.6
95.09173	2.8
96.95492	2.6
97.02882	16.4
97.06514	12.1
97.10152	13.9
103.05415	2.9
105.04527	2.4
105.07020	35.0
107.04949	20.8
107.08594	49.1
109.06481	5.2
109.10147	29.8
111.04441	10.4
111.08082	6.8
117.07000	16.8
119.08555	33.9
121.06468	4.8
121.09402	3.9
121.10139	30.6
123.08092	4.1
123.11667	6.2
124.99986	10.8
125.09607	10.3
129.06956	7.7
131.08554	20.3
133.10132	20.2
135.11687	37.2
137.09612	2.7
143.08531	2.6
145.10118	27.3
147.08012	3.6
147.11652	15.1
149.09607	3.0
149.13242	9.4
153.12730	12.9
157.10187	6.2
159.11710	9.6
161.13229	5.4
163.11174	39.0
163.14911	2.8
171.11768	4.6
173.09645	4.7
173.13263	6.8
174.44365	2.5
175.14780	5.3
181.12199	15.9
184.07321	58.4
185.07634	4.3
189.11211	3.8
191.10658	8.8
191.14194	2.8
193.12283	7.7
197.13309	2.6
199.13292	10.0
209.11754	6.8
210.12624	3.2
217.14204	3.7
227.12714	27.8
229.14240	5.1
241.19510	4.3
259.20575	8.2
261.22110	6.1
262.55899	2.8
267.15881	18.7
283.15350	20.9
301.16547	2.9
333.24304	3.2
335.25772	54.7
335.29385	2.0
443.04764	3.2
503.37094	4.2
529.38983	2.8
543.36621	5.9
561.41107	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
57.62032	0.2
58.06609	0.6
60.07872	0.4
60.08156	5.4
67.05462	0.3
69.79906	1.4
71.07027	0.3
71.07370	3.7
80.97472	0.2
81.07055	0.3
86.09695	28.8
90.29545	0.2
95.08554	0.2
98.98448	3.4
104.10728	2.0
105.47755	0.3
112.39716	0.3
124.98634	0.3
124.99991	18.8
184.07317	100.0
185.07689	0.6
189.07294	0.2
251.71294	0.3
313.10349	0.2
364.64224	0.3
386.54471	0.2
542.89777	0.3
756.55304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.5
53.03914	1.8
55.01849	2.6
55.05502	19.2
55.66566	1.3
57.03431	10.7
60.08147	3.1
61.02899	3.5
65.03919	3.1
66.27170	1.1
67.05494	50.1
68.06360	1.2
69.03417	2.9
69.07054	10.2
71.01321	2.0
71.04982	2.2
71.59694	2.7
72.81693	1.2
72.82131	1.3
73.02891	1.5
79.05051	2.4
79.05482	30.6
81.03403	5.7
81.06573	2.9
81.07047	52.0
83.04949	3.4
83.08604	12.5
85.02868	5.1
85.06539	1.5
85.28091	1.3
85.32385	1.3
86.09696	13.8
91.03963	2.7
91.04965	2.1
91.05478	30.6
91.06004	1.0
93.06467	3.0
93.07031	42.1
95.04955	7.6
95.08599	36.9
95.82571	1.5
97.02866	3.5
97.06489	4.9
97.10185	2.4
98.98457	1.4
99.00813	14.6
99.30821	1.2
105.04462	1.4
105.07017	21.7
107.04945	4.5
107.08576	27.5
107.71717	1.3
109.02882	6.4
109.06492	3.0
109.10131	19.1
111.04431	1.4
111.08051	3.5
113.05974	1.5
115.03887	2.9
117.06979	4.6
119.08553	15.4
121.06494	5.1
121.10124	14.7
123.08047	2.2
123.11698	4.6
124.89008	1.2
125.00020	10.6
125.09659	1.5
127.03895	2.9
128.06236	2.1
129.06960	2.1
131.08496	7.4
133.10118	39.6
135.07956	1.2
135.11659	12.6
137.09584	2.5
137.13251	2.5
139.07555	2.0
143.08545	4.0
145.10097	8.2
147.11650	4.0
149.13220	5.2
151.11130	10.1
159.11678	3.7
161.09601	14.0
161.13174	4.5
165.12711	1.4
171.08098	2.2
173.13223	4.5
175.14810	1.9
179.10666	8.0
183.11630	1.7
184.07318	50.3
187.14801	2.9
189.09085	7.7
197.11702	2.4
201.16391	1.3
207.10104	3.8
214.95119	1.4
225.11221	11.7
227.12711	1.4
243.12186	2.9
243.21074	6.0
261.22141	18.4
281.13788	1.9
299.14859	83.6
300.15155	1.9
315.23175	3.4
317.24579	3.6
335.25748	100.0
336.26013	3.5
449.30283	1.9
457.33286	2.2
467.31491	3.5
513.35608	2.4
531.37079	2.1
541.35205	8.1
542.35632	1.6
559.36249	47.8
560.36530	4.2
569.94513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.1
53.03932	3.7
55.01856	3.6
55.05504	20.0
57.03433	12.4
57.07051	2.4
59.04979	1.6
60.08161	1.8
61.02909	4.0
65.03928	1.9
65.37648	1.1
67.05498	49.1
69.03407	2.1
69.07063	11.7
69.33041	11.3
71.01321	1.8
71.04989	2.4
71.07381	1.4
71.15834	1.0
73.86580	1.1
79.05483	30.2
81.03396	4.3
81.07045	48.8
83.04966	4.2
83.08604	12.9
85.02894	3.1
85.06551	2.2
86.09692	9.2
91.03900	1.1
91.05470	29.6
93.07035	42.3
93.07623	2.4
95.04936	6.7
95.08595	29.4
97.02863	4.8
97.06503	2.6
97.10136	3.0
99.00808	12.2
105.07014	21.6
107.04958	4.4
107.08582	24.2
109.02883	7.1
109.06499	3.2
109.10151	15.8
111.04398	2.0
111.08066	3.1
115.03901	2.4
117.07001	6.1
119.08574	14.8
120.18439	1.0
121.06524	5.8
121.10139	13.8
123.08026	2.2
123.11700	5.0
124.99969	6.1
125.09561	1.1
127.03893	3.4
128.06207	1.5
131.08537	8.6
133.06425	1.7
133.10115	34.7
135.08063	1.3
135.11682	9.7
137.05928	1.7
137.13202	1.5
139.07510	2.4
143.08557	3.7
145.10097	5.6
147.11647	3.4
149.13280	6.4
151.11163	9.5
159.11665	4.6
161.09592	13.5
161.13257	3.5
163.14836	3.6
165.09085	1.2
171.08032	1.9
173.13240	4.9
175.14795	1.8
179.10684	6.6
184.07321	35.7
187.14809	1.8
189.09084	8.3
197.11703	2.7
207.10190	2.3
209.72256	1.0
215.12794	1.7
225.11197	11.8
227.12700	1.8
243.12273	3.6
243.21100	4.6
261.22086	19.4
277.21414	1.3
281.13855	2.8
283.15576	1.3
299.14856	86.0
315.23157	3.2
317.24722	3.7
335.25757	100.0
336.26025	2.5
449.30411	1.8
467.31409	5.6
485.32657	1.7
513.35803	3.0
531.36688	2.0
541.35443	5.7
559.36224	50.3
560.36414	2.4
756.43677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05257	1.1
55.05504	13.9
57.03430	9.5
67.05161	1.6
67.05495	18.6
69.03419	3.1
69.07048	5.7
70.73002	2.4
71.04976	3.7
76.03614	0.8
79.05053	1.5
79.05482	20.8
80.72267	0.9
81.03407	50.5
81.06571	1.2
81.07047	18.9
83.04964	5.3
83.08611	16.3
85.02886	1.0
85.06509	1.6
86.09683	1.2
91.05473	14.7
93.07026	15.5
95.04959	21.9
95.08590	8.1
97.02888	2.0
97.06532	2.7
97.10156	14.8
105.07008	11.8
107.04945	14.1
107.08576	11.1
109.02858	0.9
109.06497	8.8
109.10146	5.4
111.04430	2.5
111.08066	4.5
113.06015	1.1
115.05404	1.6
117.06989	4.9
119.04922	1.4
119.08574	11.5
121.06483	9.6
121.10134	8.1
123.04420	1.6
123.08045	2.9
125.09603	14.4
129.06992	8.4
131.04898	1.7
131.08545	9.3
133.06462	5.0
133.10110	4.9
135.08078	4.6
135.11649	2.2
137.05962	1.1
137.09570	1.9
141.07019	1.0
142.07727	1.3
143.08553	2.2
145.06465	5.9
145.10124	3.7
147.04434	1.5
147.08006	5.1
147.11688	6.5
149.05939	1.1
149.09607	4.2
151.11107	0.9
153.09105	2.1
153.12723	1.3
155.08517	1.1
157.06465	2.3
157.10126	7.7
159.08006	2.6
159.11729	2.4
161.06017	1.7
161.09599	2.0
163.11150	3.0
165.12733	1.7
165.55057	0.8
167.08632	1.0
167.10706	1.5
169.10130	2.0
171.08026	1.8
171.11659	2.2
173.09612	1.4
173.11752	1.1
173.13261	2.3
175.11159	5.9
184.07326	1.0
185.09592	1.6
185.13077	1.1
187.11198	2.2
189.11183	7.4
189.12685	1.7
191.14291	1.6
193.12218	15.3
195.11621	1.1
197.13274	2.2
199.11232	3.0
205.12219	2.0
209.13319	0.9
211.11349	1.2
211.13187	1.8
213.12697	1.2
215.14285	2.0
217.12350	1.1
219.13808	3.7
223.11215	1.3
223.13205	1.4
225.12512	1.0
227.12717	2.7
227.14543	1.7
231.13843	1.9
233.15349	3.4
237.12675	2.1
237.14862	1.2
239.14357	1.2
245.15509	1.0
249.14780	1.1
255.13745	2.3
256.46762	1.0
259.13104	1.7
267.15872	39.1
271.16870	1.1
273.14725	7.2
275.16635	1.6
280.98660	1.0
289.18201	1.2
299.16046	0.9
339.23212	2.6
341.42072	0.9
349.21344	6.2
357.23984	1.7
367.22662	15.3
385.23679	25.4
403.24835	9.1
405.23792	1.0
441.26282	11.1
442.26279	0.9
459.27353	100.0
460.27588	3.3
477.28412	87.7
478.28604	2.8
491.30115	13.2
501.28503	1.9
509.31091	6.7
541.33588	1.2
567.29724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1551
Annotation	Pachyrrhizin (Euphorbia)
Peak:m/z	Relative Intensity
53.00280	0.2
54.57291	0.2
55.01871	0.4
57.03415	0.4
60.42664	0.2
61.02942	0.4
63.70883	0.2
68.99781	0.2
69.03423	1.3
70.06591	0.4
71.10213	0.3
71.10524	0.4
73.02898	0.6
79.01836	2.9
81.03394	0.7
83.01327	0.4
84.08120	0.8
85.02892	2.2
91.05459	0.4
92.24892	0.2
97.02876	10.8
99.04429	0.6
103.05416	0.5
105.06973	0.3
107.01302	0.7
107.04940	0.3
109.02843	1.8
110.09621	0.4
112.11212	0.8
113.11525	0.3
115.05424	0.4
117.03343	0.6
118.03715	0.2
119.04912	0.5
121.02860	0.4
125.02348	2.8
127.03909	2.5
131.04913	2.7
135.04437	0.4
137.02304	0.9
139.03865	0.3
143.03371	5.9
143.04562	0.4
143.04955	0.3
145.02853	1.7
145.04948	0.6
146.03191	0.5
147.04390	0.9
149.05934	0.7
151.03914	0.2
153.01804	100.0
154.02139	0.9
155.11803	0.5
159.04393	4.6
161.05960	0.8
163.03886	2.1
165.01775	0.5
165.05457	0.3
171.02849	1.7
171.04282	0.5
175.03874	1.5
177.05444	4.5
178.05766	0.6
179.03387	1.4
179.07036	0.5
181.01297	0.8
183.02849	0.7
187.03894	1.6
191.03365	2.6
193.04950	0.9
195.02817	0.4
197.00778	0.9
199.03935	0.4
201.05476	0.3
203.03302	0.7
205.03448	0.2
205.04913	8.9
207.02856	9.8
209.04425	0.9
211.02348	0.6
215.03380	2.0
217.04947	0.8
219.02858	0.5
221.04437	3.9
223.02344	0.9
229.04929	1.0
231.02869	0.3
233.04413	13.4
234.11237	0.8
235.02339	1.6
235.11627	0.5
237.03879	2.5
243.02847	0.5
249.03915	3.7
251.05360	1.2
257.04468	0.6
259.09647	0.3
260.10040	0.3
261.03882	3.7
267.04956	0.3
274.04718	0.2
279.04959	8.9
285.03793	0.3
297.06006	9.2
303.04938	16.9
305.18497	0.5
315.07050	9.9
323.09250	0.2
425.17059	0.5
426.17245	0.3
435.09152	8.2
472.25711	0.3
509.43292	0.3
730.34973	1.6
731.35797	1.1
749.35913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.4
55.05510	5.4
57.03423	1.2
57.07070	11.5
62.06071	1.3
67.05499	7.3
69.07063	5.5
71.08617	7.9
79.05478	5.8
81.07050	26.3
83.04959	1.9
83.08607	4.5
85.10172	3.0
86.09686	4.1
91.05482	2.3
93.07025	4.1
95.08593	9.3
97.10137	1.4
105.07008	3.0
107.08595	5.7
109.06493	9.4
109.10143	4.5
111.04427	15.9
112.24046	1.0
119.08586	3.2
121.10131	4.5
123.08031	2.1
123.11666	2.8
125.00017	2.3
125.05977	5.0
131.08549	2.8
133.10100	4.0
135.08037	2.7
135.11681	4.1
137.05960	100.0
137.13239	2.8
147.08018	1.5
147.11685	5.3
149.09583	4.0
149.13246	1.9
151.07492	3.0
157.10083	2.1
161.09557	7.2
161.13274	2.7
163.11156	3.9
165.09103	3.7
167.10719	1.1
175.11160	3.8
175.14763	1.2
177.12766	1.0
179.10693	1.8
184.07332	12.0
189.12727	1.4
193.12286	1.6
193.65198	1.1
197.13165	1.1
203.17917	6.1
205.19568	1.2
207.76648	1.0
213.16364	3.6
221.18927	2.5
231.15427	1.3
231.17319	7.7
241.15779	1.7
249.18408	8.0
277.17957	36.7
282.27878	1.2
295.18979	17.6
313.27307	18.2
320.22269	6.1
351.21603	10.5
510.00668	1.1
589.44519	82.6
590.44238	1.6
607.45673	16.7
712.45251	1.9
730.45856	1.5
748.42029	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	748.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01882	2.0
55.46332	0.6
57.03466	0.8
65.03931	5.4
67.05494	2.7
69.03410	1.0
69.57222	1.6
69.57632	3.3
70.06588	1.6
71.04995	1.2
75.04471	2.6
77.03931	0.7
78.04712	2.1
79.05490	6.2
79.90311	0.7
81.03436	1.4
81.07055	1.6
82.04191	1.9
84.08135	1.8
85.02898	6.7
86.09692	0.8
89.03918	1.4
91.05470	11.8
91.78060	0.7
93.03385	7.2
93.07024	3.4
95.04948	5.9
97.02859	0.9
97.06522	2.6
103.05458	19.3
105.03405	2.1
105.07016	7.2
106.04162	16.6
107.04942	11.5
108.02074	0.9
109.02886	0.8
109.06496	1.7
110.03671	2.1
110.21703	0.6
111.04437	2.7
111.08050	0.7
112.11236	1.8
115.05446	7.0
117.03373	1.9
117.07008	4.5
118.04144	5.1
119.04931	3.1
119.08555	0.9
120.05732	0.8
121.06487	19.7
121.43222	0.7
122.03657	0.9
123.04411	5.5
124.05205	2.6
125.05986	9.0
127.03989	0.7
129.07027	1.3
129.13928	1.2
130.04118	1.4
131.04918	21.7
131.08534	1.6
132.05704	1.6
133.02856	2.5
133.06464	9.6
134.03610	3.2
135.04414	2.7
135.08031	2.5
136.05215	0.8
136.07680	0.6
137.05989	5.5
138.03108	1.1
138.06749	0.8
139.07553	1.4
141.06905	0.7
142.02617	1.7
143.04924	1.4
144.05701	1.3
145.02826	4.3
145.06474	6.4
146.03651	1.2
146.05972	0.7
147.04347	3.8
147.08031	2.2
148.05173	11.4
149.05974	29.8
151.03880	3.4
151.07550	3.7
152.04677	2.3
153.01837	2.8
153.05482	3.9
153.06844	0.6
153.09091	8.5
155.05957	0.8
155.07095	0.9
155.11835	1.0
157.06483	1.7
159.04388	1.0
159.08040	2.1
160.05238	1.2
161.05963	9.8
162.01324	1.6
162.06621	0.7
163.03897	2.3
163.07523	22.5
165.05463	2.6
166.06166	0.7
167.07021	61.3
168.07365	1.3
168.99313	0.6
171.04308	1.0
171.06587	4.0
172.05211	0.7
173.05971	5.9
174.06740	1.3
175.03879	2.0
175.07578	3.1
176.04671	2.8
177.05450	26.5
178.05911	1.6
179.01573	0.9
179.07048	1.4
179.08548	0.7
181.04939	73.8
181.08519	16.9
182.05270	1.8
185.05998	0.7
187.07532	3.3
189.05475	1.5
189.09053	0.8
190.00822	1.7
190.06259	1.5
191.07008	98.8
192.07716	3.1
193.04967	1.6
193.08498	3.3
195.06511	4.3
201.05553	1.6
203.06969	1.4
205.08549	3.3
207.04691	0.7
207.06459	3.3
207.08253	1.1
207.10176	2.4
208.01845	1.1
208.07025	0.7
209.08061	100.0
210.08417	1.9
217.08594	2.7
219.08115	1.4
219.10165	6.5
221.08002	1.3
223.04214	20.0
225.07538	2.0
227.07056	0.8
229.08640	0.7
231.06560	1.2
233.08087	7.7
234.06621	0.9
234.08896	0.8
234.11229	1.2
235.07510	1.3
235.09610	6.2
236.08235	1.2
245.08044	2.2
253.08328	0.8
259.09756	0.8
263.09131	21.9
264.12241	0.7
267.10101	4.3
279.10052	1.1
280.07129	0.7
281.08170	0.8
295.09601	1.5
297.11163	1.8
300.14401	0.7
307.09528	1.3
312.08945	3.3
325.10635	2.9
327.12186	1.3
329.13684	1.4
330.09982	0.8
335.09009	0.9
337.10565	0.7
339.12173	1.0
344.12491	0.8
357.13242	7.3
359.14682	0.9
367.11612	1.9
369.13242	2.1
371.14856	1.2
381.13434	0.9
385.12747	15.2
387.14215	1.3
389.15341	0.8
399.14319	2.7
417.15329	15.5
559.00513	0.7
577.20697	1.1
586.26422	0.9
748.34760	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	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64513	0.7
55.05497	1.9
56.65572	0.7
57.03426	2.1
61.02922	5.1
67.05495	4.7
69.03429	3.2
69.07068	1.3
70.79131	2.3
73.02914	3.6
79.05473	4.0
81.03410	5.0
81.07052	4.6
83.08615	2.0
85.02905	5.7
86.09698	2.5
91.03955	2.5
91.05476	2.6
93.07037	4.4
95.04962	2.0
95.08589	3.0
97.02887	4.6
99.04469	1.3
101.02380	2.7
103.03888	0.8
105.07027	2.4
107.08585	2.1
109.02901	0.9
109.10157	1.5
113.85041	0.7
119.08585	1.5
121.10138	1.3
125.00005	1.0
127.03903	1.0
131.08577	1.5
133.10129	0.9
147.11681	0.8
148.77489	0.7
184.07338	4.4
193.12263	3.0
208.15495	0.9
211.13300	1.2
239.56622	0.8
243.08426	2.2
251.12573	3.1
383.81305	0.7
469.20331	9.5
519.29248	6.5
549.29572	0.7
618.85046	0.9
747.42773	100.0
748.42902	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01870	0.5
55.05497	1.3
57.03427	1.2
60.08160	0.5
61.02924	3.6
67.05494	4.8
68.25175	0.5
69.03423	2.6
69.07061	1.8
71.59535	0.8
71.59912	0.6
72.75748	0.4
72.76126	0.5
73.02908	2.9
78.12677	0.4
79.05491	4.1
81.03421	1.1
81.07054	4.4
83.08591	0.8
85.02881	2.8
86.09684	2.3
91.03946	1.9
91.05486	2.8
93.07028	4.7
95.04948	0.6
95.08613	1.9
97.02864	2.4
98.98469	0.6
99.04467	0.7
101.02371	1.4
105.07007	2.4
107.08592	2.9
109.02898	0.7
111.08074	0.6
114.66277	0.5
117.07007	0.8
119.08578	1.9
119.56967	0.4
121.10131	1.7
124.99987	2.3
127.03922	0.8
131.08595	1.3
133.10121	0.9
135.11708	1.1
143.08600	0.6
145.10152	0.6
149.13293	1.4
159.11722	1.3
172.95018	0.5
184.07323	10.3
185.04213	0.8
221.55481	0.4
235.13022	0.9
243.08330	3.0
301.08926	1.3
327.10321	0.5
383.16922	0.6
443.18646	0.8
453.20880	7.8
465.20953	0.7
525.23181	1.6
535.28827	4.5
553.26129	0.8
677.34698	0.7
747.42822	100.0
748.43311	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01874	0.4
55.05507	1.7
57.03431	2.1
58.02213	0.3
60.16122	0.4
61.02919	6.3
67.05497	4.6
69.03428	3.9
69.07066	1.1
69.79752	2.1
71.01357	0.5
71.05000	0.6
73.02919	5.2
73.65417	0.4
79.05486	3.2
81.03410	3.1
81.07046	5.5
83.08612	1.0
85.02896	7.1
85.03411	0.3
86.09702	1.6
87.04459	0.5
91.03947	4.3
91.05456	2.7
93.07037	3.8
95.04967	1.5
95.08593	4.1
97.02877	5.5
97.10181	0.3
98.21412	0.5
99.04469	1.2
99.19923	0.3
101.02376	2.4
105.07038	2.3
107.08607	1.9
109.02890	0.9
109.10159	1.3
111.04441	0.4
115.03994	0.5
117.06973	0.4
119.08588	1.5
121.10145	1.8
124.99998	1.3
127.03934	1.4
129.07104	0.4
131.08574	1.4
133.10149	1.1
135.11734	0.9
147.11725	0.7
149.09642	0.5
149.13297	0.6
157.10149	0.4
159.11615	0.5
184.07347	4.1
185.04228	0.6
185.07715	0.5
193.12259	0.6
203.05344	0.7
208.71623	0.4
227.20047	0.5
243.08324	2.2
251.12593	1.0
269.12375	0.7
307.15100	0.4
335.25803	0.8
408.17419	0.4
469.20386	3.3
519.29254	7.7
747.42834	100.0
748.43048	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01869	0.6
55.05507	1.1
57.03426	2.2
57.07069	0.8
61.02921	5.4
65.03932	0.5
67.05499	3.9
69.03427	3.6
69.07070	0.7
69.35906	0.4
70.57680	1.4
71.01352	0.6
71.04978	0.7
71.08657	0.5
73.02904	3.4
79.05473	3.2
81.03401	3.2
81.07048	4.9
83.08608	1.2
85.02888	5.8
85.03346	0.6
86.09703	3.0
87.04470	0.5
89.06030	1.0
90.83672	0.4
91.03929	2.5
91.05476	2.7
93.07040	3.4
95.04978	1.2
95.08589	3.2
96.72517	0.4
97.02879	4.3
97.06516	0.5
98.98463	0.5
99.04446	1.1
101.02364	2.1
105.07015	2.5
107.04956	0.6
107.08604	1.0
109.02859	1.0
109.06512	0.5
109.10150	1.3
111.08087	0.5
112.51466	0.4
115.03953	0.7
117.07060	0.6
119.08559	1.6
121.10144	1.8
125.00011	1.9
127.03918	1.8
131.08562	1.4
133.10167	1.1
142.07729	0.4
147.11722	1.1
149.13327	0.4
157.10149	1.0
175.11261	0.6
184.07321	5.9
185.07626	0.7
185.51201	0.4
192.06747	0.5
193.12260	1.4
211.13348	0.6
243.08420	2.4
269.12378	0.9
469.20407	8.0
519.29364	5.0
747.42828	100.0
748.43353	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	747.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00269	1.2
69.26902	11.9
69.27313	2.5
69.56400	1.4
94.05238	1.3
94.81818	1.3
98.21480	3.4
109.33912	1.2
109.83030	1.4
121.52489	1.2
127.60787	1.3
199.53329	1.5
400.16870	1.4
401.38333	1.5
739.56250	1.4
747.40784	100.0
748.40778	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	747.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01871	0.7
55.05505	1.5
57.03427	2.2
57.07066	3.2
61.02917	4.3
67.05502	5.0
69.03423	3.6
69.07064	1.6
69.26368	5.5
69.26776	1.1
70.53955	0.5
71.08632	2.7
73.02907	4.1
79.05489	2.7
81.03410	3.0
81.07066	4.9
83.08624	1.4
85.02901	5.0
85.10172	1.1
86.09708	1.5
87.04497	0.7
89.06031	5.7
91.03950	2.9
91.05477	1.9
93.07027	3.7
95.04970	0.9
95.08597	3.7
97.02875	5.0
99.04472	0.8
101.02409	1.5
105.07053	1.6
107.08610	1.4
109.10094	1.2
115.03887	0.7
117.07025	0.5
118.89324	0.5
119.08586	1.5
119.38867	0.5
121.10142	1.5
125.81979	0.6
127.03977	1.6
131.08528	0.8
133.08597	3.1
135.11661	0.6
142.58224	0.5
177.11259	1.6
184.07280	2.7
185.04268	0.8
193.12291	1.7
211.13364	1.2
243.08423	2.0
251.12529	4.0
269.12637	0.9
301.12744	0.5
331.84113	0.7
335.25781	0.7
380.21353	0.7
469.20364	3.6
519.29382	7.3
747.42804	100.0
748.43213	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	747.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74270	0.7
55.43163	0.6
55.80104	0.6
58.06586	2.7
62.01557	0.6
63.02362	1.1
64.15565	0.6
65.03941	1.3
69.88912	0.6
70.06543	0.9
71.04966	0.9
71.59641	1.0
72.08142	3.0
72.30494	0.7
84.08131	15.3
85.02877	1.3
89.03902	13.6
89.04408	1.1
91.04890	0.9
91.05467	12.5
95.04955	0.6
97.02906	0.6
98.09679	1.6
103.05485	0.8
106.04123	0.9
107.04938	1.5
110.09682	5.0
112.11232	35.2
113.07165	1.4
117.03371	31.1
119.04926	22.1
129.13866	28.0
129.14845	1.1
131.04947	0.8
133.02866	1.6
134.03636	2.8
135.04395	7.1
135.40358	0.6
137.02347	1.6
137.05980	2.3
140.07133	0.8
141.67287	0.6
145.02831	72.8
146.03239	0.9
146.06000	1.0
147.03223	1.1
147.04396	20.2
148.04770	0.7
149.05948	8.7
153.01814	2.0
155.11783	11.5
157.03975	1.5
161.02280	1.3
163.03889	50.3
167.07047	0.8
174.05476	1.4
175.02309	1.1
175.02571	0.6
175.03888	37.5
177.05453	73.0
179.06973	1.0
186.05511	1.7
189.05632	0.6
193.04973	1.6
204.10114	0.6
206.08087	1.3
207.06506	44.9
212.04733	1.3
219.11317	4.2
220.09663	47.1
229.04945	1.0
229.20236	0.8
234.11217	16.5
237.09161	0.8
248.09392	0.8
248.12799	1.0
250.10818	2.0
259.09698	7.6
263.13947	4.2
264.12274	41.6
265.08578	1.0
274.10852	1.8
287.05627	1.0
291.06577	0.8
291.13690	1.3
291.16971	14.8
291.20081	1.2
293.08127	0.7
305.18518	6.8
317.80890	0.9
323.09033	0.8
335.19644	13.6
379.27243	1.3
382.16547	1.3
425.17154	2.4
467.21994	1.0
471.25937	1.8
489.27188	0.8
497.23096	2.0
541.30231	6.7
553.30219	9.6
571.31104	16.0
585.32709	5.0
595.31079	0.8
729.34766	7.3
747.35864	100.0
748.36078	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	747.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01863	1.2
55.05498	1.0
55.59846	0.4
57.03430	5.6
69.03442	0.8
70.37035	0.4
70.44288	0.8
70.44674	0.6
71.01357	0.5
71.04984	42.3
73.02898	0.8
75.04451	1.3
79.01831	1.8
81.03394	1.1
83.04098	0.5
83.04967	2.7
84.08115	2.8
85.02893	46.7
87.04449	1.1
89.03896	1.5
91.05483	0.6
97.02283	0.5
97.02881	7.2
98.21454	0.5
99.04413	1.0
103.05426	0.6
105.07030	1.1
107.01311	0.7
107.04939	1.7
109.02872	0.7
110.09682	4.4
111.04427	1.2
112.11218	3.3
113.07099	0.5
117.03365	3.4
119.04932	1.2
120.43468	0.5
121.02806	1.0
125.02325	2.0
127.03892	1.6
129.05463	15.3
129.13867	1.5
131.03979	0.4
131.04922	2.0
133.02840	0.5
133.06409	0.6
135.08134	0.4
137.05952	1.4
138.06537	0.4
143.03378	4.1
145.02831	9.9
147.04402	1.4
147.06509	3.2
149.05960	2.1
150.06795	0.7
153.01805	100.0
155.11789	2.8
159.04359	3.0
161.05984	0.7
163.03868	1.2
163.07529	1.2
165.01822	1.2
167.07021	1.5
171.02904	1.5
175.03902	0.7
177.05450	13.3
179.03363	1.1
179.07066	0.6
181.01300	1.0
183.02820	1.0
187.03914	1.5
191.03406	2.2
193.04898	0.6
193.08620	2.8
195.02855	0.7
195.10175	1.7
197.00789	0.9
205.04903	7.2
205.26508	0.5
207.02879	7.0
209.04565	0.6
211.02428	0.5
211.09648	4.4
213.05328	0.7
215.03351	0.9
217.04889	1.0
221.04471	3.0
223.02258	0.7
229.04895	0.6
233.04395	9.8
234.11111	1.1
235.02286	0.8
237.03806	2.2
239.57080	0.5
249.03909	2.3
251.05400	1.2
258.05350	0.6
259.09613	5.9
261.03943	3.4
274.10843	0.6
279.04971	7.6
287.05453	38.7
297.05991	9.5
305.18500	1.4
315.07040	21.9
382.16574	0.7
471.25928	1.7
553.30286	2.7
571.31097	0.6
729.34735	6.1
747.36017	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	746.496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10410	0.4
56.05015	0.6
57.07070	0.7
58.06618	0.4
58.17511	0.4
60.08158	5.6
67.05490	1.1
69.07073	0.5
69.57649	2.9
71.07363	3.1
79.05461	0.4
79.79317	0.5
81.07040	1.2
84.60345	0.4
86.09701	28.7
89.06048	2.8
92.02427	0.4
93.07023	0.4
95.08603	0.7
98.98447	2.4
104.10719	2.3
124.99995	17.7
128.57549	0.4
133.08563	1.1
143.01039	0.5
184.07324	100.0
185.07666	0.5
217.95866	0.4
227.20245	0.4
280.21387	0.4
468.91589	0.4
505.38681	0.7
746.50122	2.7
747.42627	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	745.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	0.6
55.05490	1.6
57.03432	2.0
60.08155	0.4
61.02921	5.1
67.05498	5.7
69.03424	3.4
69.07045	0.9
70.17012	1.5
71.04980	0.5
72.55597	0.3
73.02914	4.4
79.05489	3.9
81.03408	1.8
81.07050	5.0
83.08640	0.5
85.02897	5.3
86.09694	2.8
91.03947	2.6
91.05479	2.2
93.07030	5.5
95.04954	0.8
95.08602	4.3
97.02881	5.3
99.04444	0.9
101.02348	1.7
103.03892	0.3
105.07043	1.3
107.08571	2.2
109.02881	0.5
109.10159	1.2
111.08060	0.3
115.03936	0.5
117.07055	0.8
119.08566	1.5
121.10123	1.6
123.11703	0.5
124.99969	1.8
127.03859	1.5
131.08516	0.5
133.10074	0.7
135.11665	2.5
145.10112	1.0
148.59238	0.3
149.13286	0.5
152.42566	0.3
161.13286	0.3
163.11192	2.0
181.12303	0.5
184.07323	8.5
185.04321	0.7
185.07675	1.4
196.21262	0.5
227.12822	1.3
243.08389	2.3
249.10962	11.7
261.22342	0.4
305.13657	1.0
335.25955	0.8
342.52206	0.4
467.18781	4.7
472.43771	0.4
504.38000	0.6
519.29236	10.3
520.29889	0.6
583.35858	0.5
645.29291	0.4
721.46991	0.4
745.41193	100.0
746.41486	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	745.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28509	0.8
55.05502	1.4
57.03424	1.5
57.92717	0.9
58.95412	0.7
60.40942	0.7
61.02913	4.9
67.05495	3.8
67.92204	0.8
69.03423	3.8
69.07069	1.5
70.25365	1.0
70.37796	0.9
70.94587	0.9
70.94940	1.7
71.04982	4.1
73.02901	3.1
79.05482	3.9
81.03410	2.5
81.07045	5.8
85.02895	5.3
86.09697	1.1
91.03961	3.5
91.05486	4.7
91.38239	0.8
93.07048	2.1
95.04996	1.4
95.08614	1.6
96.04938	0.8
97.02883	5.7
97.06530	1.1
99.61599	0.9
101.02386	1.4
105.07045	2.6
107.08610	2.2
113.48197	0.8
119.08595	1.8
121.10126	1.9
123.11716	0.9
127.03906	1.3
131.08594	1.9
133.10155	2.5
135.11711	1.0
147.11679	1.4
149.09647	2.3
149.39450	0.8
151.62207	0.9
161.86787	0.9
184.07339	1.7
243.08470	3.1
257.17419	1.1
267.15598	1.4
283.06311	1.9
283.15244	4.9
339.17612	0.8
343.08469	0.8
485.23419	8.7
501.22986	11.1
652.62872	1.1
745.39716	100.0
746.40393	2.0
768.08441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01857	0.4
55.05509	1.1
57.03436	1.4
61.02924	3.7
63.88712	0.2
65.02482	0.2
65.03943	0.3
67.05499	4.4
69.03426	2.7
69.07053	1.3
69.66666	0.3
69.67078	1.0
71.01340	0.4
71.04981	0.6
73.02916	2.9
75.04462	0.2
75.12159	0.2
77.69893	0.2
79.05490	3.8
81.03415	1.5
81.07048	3.7
83.04976	0.5
83.08611	0.6
85.02895	4.0
85.06582	0.2
86.09686	0.5
90.87022	0.2
91.03948	2.4
91.05479	1.8
93.07036	4.0
95.04965	0.7
95.08596	4.6
97.02882	4.2
97.06519	0.2
99.04462	0.7
101.02377	2.0
105.07050	1.0
107.04947	0.5
107.08578	2.7
109.02892	0.6
109.10136	1.0
115.03973	0.3
117.07023	0.7
119.08588	0.9
121.06527	0.3
121.10136	1.6
123.11659	0.2
125.05976	0.3
127.03928	1.5
131.08542	0.5
133.10141	0.5
135.08044	0.3
135.11682	4.1
145.10110	2.8
147.19363	0.2
149.13287	0.3
163.11176	4.5
181.12276	0.7
184.07326	1.0
185.04253	0.5
203.05246	0.3
219.10023	0.7
227.12772	2.7
243.08392	2.3
249.10973	8.8
259.07993	0.3
273.22885	0.3
305.13559	2.2
335.25940	0.6
442.50061	0.2
453.79660	0.2
467.18851	11.3
468.19147	0.3
519.29272	5.5
583.35913	0.4
745.41248	100.0
746.41565	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	744.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.05512	7.2
56.05020	0.6
57.03234	0.5
57.03442	5.0
57.07068	1.3
58.06600	0.7
59.04987	0.6
60.07908	0.6
60.08160	6.5
60.39696	0.4
61.02916	1.5
65.03913	0.9
67.05504	32.7
69.03394	0.7
69.07067	6.1
71.04990	3.5
71.07370	3.2
73.02892	0.6
79.05490	16.1
81.03407	1.3
81.07055	41.0
83.04971	2.4
83.08615	5.1
85.02890	2.1
85.06555	3.5
86.09704	30.9
86.10237	1.1
90.24016	0.5
91.03952	0.9
91.05472	11.1
91.14611	0.5
93.07036	22.5
94.07366	0.7
95.04945	1.7
95.08604	13.6
97.02902	0.8
97.06502	2.8
97.10165	1.2
97.90791	0.6
98.20765	1.7
98.98437	3.2
104.10738	2.0
105.07021	5.2
107.08585	11.3
109.06507	0.7
109.10149	5.9
111.08049	2.1
117.06981	3.5
119.08586	3.9
121.10126	7.8
123.08071	0.7
123.11702	5.0
125.00002	22.4
125.09612	0.6
131.08531	4.3
133.10129	7.6
135.11688	6.3
143.00969	0.8
145.10115	1.6
147.11676	2.5
149.09592	0.7
149.13268	7.4
151.11174	2.1
159.11670	6.7
161.13239	1.3
163.14838	1.1
167.14282	0.7
169.12170	1.0
173.13182	1.3
175.14822	0.9
177.12683	1.8
184.07335	100.0
185.07602	0.7
187.13219	3.2
187.14723	0.6
195.13759	3.1
203.12862	0.6
213.14847	1.4
241.14261	0.7
243.15912	12.2
243.21132	1.7
261.22177	3.8
269.17517	8.3
285.16962	0.9
287.18518	16.9
287.23621	1.2
317.24753	0.7
335.25787	22.2
336.26111	1.5
361.27408	1.0
399.63837	0.6
503.37271	41.2
504.37756	2.9
509.50677	0.7
521.38477	0.7
529.38678	3.1
547.39838	14.4
548.40338	1.2
744.47723	3.0
745.40723	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	744.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01866	0.5
55.05291	0.3
55.05508	3.5
56.05026	0.9
57.03439	2.7
57.07060	0.4
60.08161	5.9
61.02910	0.7
65.03938	0.6
67.05502	15.2
69.03391	0.3
69.07066	3.7
70.06555	0.3
71.04977	1.7
71.07372	3.4
73.02910	0.4
77.29218	0.3
79.05047	0.5
79.05489	7.3
81.03411	0.6
81.07054	22.0
82.07416	0.5
83.04964	0.9
83.08627	2.6
85.02906	0.6
85.06548	1.5
86.09701	31.7
91.03936	0.5
91.05471	5.0
93.06461	0.6
93.07040	11.1
95.04965	1.4
95.08042	0.6
95.08605	7.6
97.02870	0.6
97.06510	2.0
97.10178	0.4
98.98453	2.7
99.08092	0.5
104.10738	2.1
105.07020	2.3
107.08592	5.7
109.06517	0.4
109.10155	2.9
111.08061	1.4
113.09724	0.4
117.07011	1.7
119.08579	2.2
121.10139	3.7
123.11713	2.2
124.99998	22.1
125.09619	0.6
126.00391	0.4
131.08549	2.2
133.10126	2.9
135.11661	2.8
145.10094	0.8
147.11658	1.1
149.13239	2.9
151.11200	0.6
159.11685	2.7
161.13278	0.7
163.14789	0.4
173.13246	0.7
173.53845	0.3
177.12737	1.3
184.07332	100.0
185.07643	1.4
187.13280	0.9
187.14760	0.4
195.13815	1.2
221.75758	0.3
229.27106	0.3
243.15938	4.8
261.22168	2.2
269.17474	7.5
287.18503	5.4
313.24426	0.4
335.25772	12.2
336.26166	0.6
388.47488	0.3
422.58865	0.3
431.23096	0.5
503.37299	18.8
504.37509	1.2
529.38733	1.3
547.39764	8.6
548.40063	0.8
578.53717	0.3
712.44336	0.4
744.48364	2.2
769.31390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01862	2.5
55.05252	1.6
55.05502	19.4
57.03429	16.9
57.07060	2.4
57.49739	0.9
59.05003	1.4
61.02918	5.4
65.03926	2.4
67.05494	60.7
67.17397	0.8
69.03420	4.5
69.07059	16.2
69.07408	1.8
71.04969	5.1
73.02905	1.2
73.06561	0.8
77.03902	1.5
79.05481	44.8
81.02913	1.5
81.03403	45.3
81.07042	59.3
83.04964	11.3
83.08607	18.8
85.02886	20.4
85.06524	2.4
86.09698	3.9
87.10048	0.8
91.03958	2.5
91.05465	39.4
92.23489	0.8
92.49089	0.9
93.07030	45.0
95.04951	23.2
95.08593	35.1
97.02875	3.5
97.06496	5.8
97.10156	3.8
99.08068	2.3
105.04473	1.1
105.07012	26.4
107.04951	5.0
107.08575	21.1
109.06512	5.0
109.10132	13.9
111.04407	2.3
111.08061	9.6
113.06033	1.6
115.05461	1.5
117.07011	5.9
119.08566	21.2
121.06479	1.3
121.10127	19.9
123.08070	2.9
123.11681	4.9
124.99982	2.6
125.09628	1.3
127.03947	1.3
129.06995	10.0
131.08560	16.1
133.06497	2.0
133.10103	15.8
135.07993	1.0
135.11682	9.4
137.09613	2.3
137.13286	1.5
139.11137	0.9
142.07780	2.5
143.08539	1.1
145.10123	6.7
147.08020	1.7
147.11659	15.6
149.09613	6.6
149.13203	4.1
157.10109	11.3
157.96999	0.8
159.11678	3.4
161.13261	3.4
163.14812	2.7
165.12770	3.9
169.10088	1.0
173.13315	2.6
175.11156	12.2
175.14822	2.3
184.07321	10.9
185.07680	2.7
187.14864	2.2
193.12215	36.1
206.64099	1.0
211.13255	46.2
227.20026	3.9
229.53558	1.0
243.21095	3.7
261.22107	11.2
267.15881	13.5
285.16904	57.5
317.24722	1.9
335.25742	90.1
336.64774	0.9
435.32593	1.7
453.33453	3.4
527.37122	13.7
545.38287	100.0
546.38690	2.4
621.04626	1.0
743.43274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01867	4.2
55.05510	18.6
57.03176	1.8
57.03428	15.0
57.07061	2.3
61.02913	5.5
65.03934	2.9
67.05497	52.3
69.03413	4.4
69.07057	12.7
69.86176	5.1
69.86584	2.9
71.04977	4.7
73.02902	1.8
79.05485	44.7
81.03407	46.8
81.07048	57.1
83.04973	15.4
83.08610	21.7
85.02894	23.6
85.06531	1.9
86.09668	1.6
91.03922	2.7
91.05467	39.6
93.06458	2.5
93.07035	42.1
95.04961	26.2
95.08595	36.9
97.02868	3.8
97.06535	7.3
97.10148	4.8
99.04433	1.6
99.08037	1.7
105.07021	27.1
107.04933	8.5
107.08588	18.8
109.06490	6.6
109.10155	11.8
111.04416	2.0
111.08069	10.0
113.05991	2.3
115.05439	2.3
117.07002	4.3
119.08565	20.3
121.06477	1.6
121.10127	18.4
123.08042	4.1
123.11670	4.1
129.06992	9.6
131.08549	15.2
133.06464	2.8
133.10110	16.8
135.11703	10.1
137.09564	1.6
142.07736	2.6
143.08572	1.8
145.10095	6.0
147.08041	3.7
147.11661	15.4
149.09596	5.8
149.13245	4.4
153.29361	1.6
157.10115	10.3
159.11693	4.1
161.13251	3.2
163.11176	1.5
163.14841	2.3
165.12779	2.5
173.13269	3.9
175.11157	12.4
187.14818	1.4
193.12222	45.0
206.22632	1.4
211.13268	73.7
227.20042	2.4
231.71385	1.2
243.20992	3.7
261.22055	10.3
267.15945	14.9
283.20050	1.4
285.16928	80.2
288.19406	1.4
317.24646	3.6
335.25748	85.3
336.26242	2.1
395.04990	1.4
417.31772	1.6
435.32507	2.5
453.33463	2.3
463.30511	1.3
509.35965	1.8
527.37244	11.7
545.38300	100.0
546.38293	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01849	1.9
55.05508	13.7
57.03170	1.0
57.03432	9.4
57.07056	0.9
61.02905	2.0
65.03931	1.5
66.03454	0.6
67.05499	41.6
69.03415	2.7
69.07061	9.6
71.04983	3.3
79.05484	27.5
79.05817	0.4
79.05953	0.9
81.03410	32.0
81.07050	36.4
82.07367	0.9
83.04977	8.4
83.08611	14.9
85.02895	13.9
85.06525	1.3
91.03977	0.9
91.04895	1.0
91.05473	20.5
91.33615	0.7
93.07034	28.2
95.04961	17.9
95.08595	26.9
97.02873	2.1
97.06518	3.0
97.10155	3.1
99.08076	1.1
99.92048	0.7
105.07011	16.8
107.04929	2.5
107.08593	13.5
109.06503	2.6
109.10136	9.5
111.04456	2.0
111.08064	5.2
113.06005	1.4
115.05476	0.7
115.37745	0.8
116.06290	0.7
117.06985	3.9
119.08564	14.6
121.10130	14.9
123.08084	0.8
123.11700	2.5
124.99952	0.7
125.09575	1.1
129.06958	5.8
131.08534	10.1
133.06468	1.5
133.10104	8.6
135.11694	6.6
137.09625	1.9
137.13269	1.3
142.07785	0.8
145.10078	3.6
147.08063	1.8
147.11661	11.8
149.09599	3.0
149.13246	2.9
157.10107	7.9
159.11687	1.9
161.13268	1.2
163.11133	1.8
163.14812	1.4
165.12782	1.6
173.13232	2.2
175.11147	8.0
177.16235	0.7
181.12309	0.7
183.11720	0.7
184.07352	2.1
187.14838	0.9
192.53018	0.7
193.12227	26.0
194.38959	0.7
201.16418	0.7
211.13263	33.5
227.12822	1.9
243.21063	1.6
249.14906	1.1
261.22076	5.2
267.15903	7.2
285.16934	37.0
317.24741	1.8
335.25760	63.1
336.26184	2.7
337.26541	1.2
435.32809	1.3
453.33237	0.9
527.37152	7.3
545.38306	100.0
546.38800	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
53.09597	0.5
55.01855	2.2
55.05257	0.9
55.05505	10.1
57.03176	0.8
57.03431	8.2
57.07063	1.0
61.02906	1.6
65.03916	1.2
67.05497	27.4
69.03416	3.2
69.07062	7.0
70.72527	1.1
70.72868	0.7
71.04995	2.9
79.05483	23.5
81.03408	30.9
81.07047	26.3
83.04971	7.4
83.08131	1.0
83.08611	14.6
85.02895	12.5
85.06532	1.3
87.04427	0.6
91.03944	0.6
91.05468	17.1
93.07028	21.0
95.04961	14.0
95.08592	19.0
97.02866	2.4
97.06508	2.1
97.10136	2.9
99.08064	1.1
105.07014	12.8
105.07674	1.1
107.04928	2.8
107.08574	11.9
107.09286	0.9
109.06528	2.6
109.10147	6.6
111.04437	1.3
111.08073	5.5
113.06005	0.9
117.06995	2.6
119.08566	12.0
121.06478	0.8
121.10123	11.0
123.08047	0.8
123.11671	3.6
125.09594	1.1
129.06990	5.3
131.08543	8.9
133.06462	1.5
133.10118	8.5
135.08063	0.8
135.11667	4.9
137.09621	1.5
137.13145	0.6
138.36499	0.5
141.47426	0.6
142.07771	1.4
145.10114	3.6
147.08018	1.4
147.11676	8.2
149.09599	3.2
149.13266	2.5
151.11124	0.6
157.10092	6.9
159.11708	1.7
161.13245	1.1
163.11136	1.2
163.14810	0.8
164.11604	0.6
165.12740	2.3
171.11615	0.5
173.13266	1.7
175.11183	7.6
175.14844	1.0
184.07344	2.4
193.12222	26.7
201.16537	0.5
211.13264	45.1
212.13660	1.0
226.57933	0.6
227.12755	1.3
243.21167	1.7
249.14850	0.5
261.22107	5.6
267.15869	9.4
283.15350	0.8
285.16931	43.5
286.17322	0.9
317.24551	1.0
335.25760	47.7
336.26126	2.2
363.70999	0.6
435.32495	1.7
453.33633	1.6
471.34772	1.1
473.33698	0.7
526.48230	0.5
527.37329	7.1
545.38293	100.0
546.38586	4.7
642.90735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01855	2.4
55.05268	1.1
55.05507	14.8
57.03184	1.6
57.03432	15.2
57.07072	1.3
61.02919	5.8
65.03915	3.1
67.05496	60.0
69.03398	4.8
69.06726	1.6
69.07063	19.2
70.65755	4.2
71.01329	1.1
71.04966	3.5
73.02896	3.4
79.05482	42.7
81.03402	8.4
81.07046	69.2
83.04965	6.9
83.08625	8.0
85.02892	6.0
85.06521	5.2
91.03938	2.8
91.05467	37.3
93.07031	45.4
95.04959	17.6
95.08595	44.4
95.09096	0.9
97.02866	4.4
97.06517	6.5
97.10141	3.2
99.04430	1.5
105.07018	26.6
107.04961	2.6
107.08585	21.4
109.06519	10.0
109.10150	15.0
111.08067	3.8
113.05980	2.2
117.07024	6.9
119.08566	19.7
121.10113	16.8
123.08041	1.7
123.11707	6.8
127.07555	1.4
128.06166	1.3
129.06975	5.5
131.08545	12.7
133.06519	1.3
133.10098	20.4
135.08005	2.2
135.11688	12.5
137.09529	2.7
137.13219	2.4
142.07713	1.6
143.08617	1.3
145.10075	7.8
147.11679	14.5
149.09593	3.2
149.13248	4.0
151.11185	3.3
153.12733	2.2
155.10625	1.2
157.10107	7.6
159.11630	4.4
161.13235	3.1
163.11061	1.5
163.14793	3.3
165.12704	2.9
171.11676	1.5
173.13258	5.4
175.11160	7.7
175.14841	1.8
184.07292	2.6
187.14819	2.8
191.14262	1.6
193.12259	6.6
211.13251	4.7
227.12807	2.1
227.16315	1.4
229.14365	1.4
243.21046	4.0
261.22131	14.3
267.15909	7.1
283.15280	3.0
285.13635	1.9
285.16913	75.3
335.25760	100.0
337.27441	1.9
453.33615	3.3
471.34772	2.4
503.37598	1.5
525.77338	1.2
527.36957	5.7
545.38312	51.5
563.39258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.4
53.03937	1.9
55.01865	2.4
55.05262	0.7
55.05504	10.1
57.03429	8.2
57.07080	1.9
61.02907	0.9
63.50220	0.4
65.03928	1.7
66.11077	0.3
67.05495	35.2
69.03428	1.6
69.07056	11.2
69.33084	0.8
69.33498	3.1
71.04987	2.3
71.92838	0.3
73.02903	1.6
74.49326	0.3
77.03923	0.4
79.05482	31.6
81.03398	1.3
81.07045	37.3
83.04973	2.7
83.08607	7.6
85.02885	0.8
85.06514	1.3
91.05469	12.9
93.07030	43.3
95.04948	6.5
95.08594	45.9
97.02864	3.3
97.06512	3.3
97.10177	1.8
99.04441	2.3
99.08068	0.8
103.05473	0.6
105.04601	0.4
105.07011	10.6
107.04937	5.8
107.08580	26.1
109.06496	1.7
109.10137	10.9
111.04406	1.1
111.05110	0.3
111.08072	1.5
113.05999	0.4
113.09695	0.5
115.05448	0.4
117.06996	8.8
119.08560	10.7
121.06496	4.0
121.10127	17.1
121.11013	0.8
122.10522	0.3
123.08079	0.6
123.11706	2.9
125.05968	1.5
125.09592	0.5
130.07793	0.8
131.08546	3.8
133.10123	5.7
135.08047	2.0
135.11671	36.9
136.12059	0.7
137.09592	0.5
137.13245	0.9
139.07550	1.2
143.08524	0.4
145.10103	20.6
146.10350	0.4
147.11650	2.6
149.13225	2.7
153.12787	0.6
159.11668	2.4
161.13226	1.5
163.11156	41.7
163.14806	1.3
166.96295	0.4
173.09645	0.6
173.13216	1.6
175.14807	0.8
177.16365	0.4
181.12207	8.2
184.07372	0.6
187.14723	0.9
203.94431	0.4
209.11606	0.8
223.82924	0.4
227.12747	53.7
228.13193	1.2
233.22655	0.4
241.97165	0.4
243.21043	1.7
245.22768	0.3
261.14468	0.4
261.22092	6.2
271.90298	0.4
283.15353	46.3
284.15747	0.9
317.24829	2.0
335.25754	100.0
336.26172	3.1
543.36749	71.7
544.36823	3.1
675.39417	0.4
706.83575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01858	5.2
55.05505	18.0
57.03184	1.1
57.03434	12.3
57.07044	1.6
61.02907	1.4
65.03921	2.8
67.05497	51.5
68.05826	0.7
69.03431	1.6
69.06715	1.4
69.07056	15.0
69.35120	0.9
69.35437	7.4
71.04976	3.8
72.55530	0.8
73.02889	2.4
77.03876	0.8
78.14828	0.7
79.05484	48.5
81.03393	3.3
81.07047	54.0
82.52250	0.7
83.04981	4.1
83.08147	0.9
83.08609	13.8
85.02874	2.0
85.06525	1.6
91.05470	21.7
93.03370	0.8
93.07035	63.8
95.04962	10.0
95.08596	66.7
96.08926	0.8
97.02889	5.0
97.06526	5.6
97.10152	2.3
98.21484	1.3
99.04465	5.1
99.08080	0.9
103.05419	1.7
105.06384	1.4
105.07018	14.7
107.04937	9.2
107.08580	43.8
108.08990	0.9
109.06483	2.4
109.10147	13.0
111.04421	1.6
111.08050	2.8
113.06004	1.2
117.06998	12.0
119.08566	17.6
121.06498	6.8
121.09311	1.3
121.10137	24.3
123.08031	1.2
123.11662	2.4
125.05966	3.6
129.06937	0.8
130.07779	1.8
131.08571	6.7
133.10120	7.9
135.08005	2.3
135.11676	65.3
136.11952	1.3
137.13211	1.0
139.07507	2.5
140.10309	0.7
143.08592	1.4
145.06477	1.1
145.10106	38.2
147.11644	2.9
149.13226	3.3
153.12715	1.5
159.11646	2.5
161.13237	2.1
163.11166	70.3
164.11563	1.4
170.52031	0.7
173.09599	1.3
173.13228	2.8
175.14806	1.2
176.03459	0.8
181.12231	11.3
187.14772	1.3
209.11670	1.6
227.12756	95.9
228.13066	2.2
243.21117	2.9
261.22128	8.2
283.15363	100.0
284.15662	1.3
317.24643	2.5
335.25763	99.6
336.26144	2.8
440.12738	0.8
543.36774	87.5
544.36932	4.6
656.49475	0.9
673.14404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01859	2.0
55.05502	6.0
57.03428	5.8
57.97230	0.6
61.02929	1.1
65.03926	0.7
67.05501	21.7
69.03428	0.7
69.07061	4.1
71.04985	10.2
72.96561	0.6
79.05492	11.2
81.03412	21.0
81.07053	33.8
83.04967	2.1
83.08614	6.1
85.06535	2.3
89.04015	0.6
91.05473	15.4
93.03365	0.8
93.07047	11.4
95.04964	11.9
95.08605	7.7
97.02879	1.3
97.06525	2.8
97.10165	4.2
97.92901	0.7
99.08102	0.6
105.06364	1.1
105.07025	9.7
107.04948	6.5
107.08588	7.1
109.06506	6.3
109.10143	4.0
111.04427	1.2
111.08052	2.5
117.07014	4.2
117.29118	0.7
119.08584	6.7
121.06497	7.2
121.10135	5.9
123.04385	1.0
123.08067	1.9
123.11701	3.9
125.09640	3.3
129.07005	5.6
130.36252	0.7
131.08565	7.0
133.06503	1.9
133.10112	9.0
135.08057	2.7
135.11659	1.9
137.09598	1.0
141.06993	1.0
143.08568	2.0
145.06473	1.5
145.10109	3.1
147.08041	2.8
147.11658	2.8
149.09610	2.2
149.13297	2.0
151.11186	2.8
155.08513	1.3
157.06439	0.7
157.10146	4.1
159.08040	1.7
159.11707	2.6
160.82281	0.6
161.09637	0.8
161.13310	0.7
163.11226	2.6
165.12733	0.9
169.10112	1.0
170.04585	0.6
171.08023	0.8
171.11705	1.9
173.13248	2.3
175.11201	2.3
177.12801	1.0
181.10052	0.8
183.11713	1.1
183.13815	1.0
185.13420	0.7
187.11240	1.2
187.13240	1.3
189.11230	1.5
189.12738	0.9
191.14282	1.9
193.12216	3.8
197.13202	0.9
199.11292	0.6
207.13754	0.7
215.14409	0.8
217.12149	0.7
217.15898	1.1
219.13757	3.6
223.13232	1.2
227.12733	1.3
229.25787	0.9
248.92145	0.7
249.14864	1.1
257.17517	0.9
261.15012	0.9
267.15878	7.7
269.17459	1.7
275.16461	1.0
301.14249	1.0
301.20233	3.4
325.21814	1.2
327.15533	0.6
343.22607	4.0
351.23138	0.8
369.24240	2.8
387.25134	0.8
417.26282	3.4
425.26852	2.2
435.27408	11.6
436.27841	1.0
443.28003	9.8
461.28955	100.0
462.29388	5.6
475.30399	1.1
493.31552	7.2
527.77008	0.7
715.95465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66770	0.1
55.51354	0.1
56.05029	0.7
57.07058	0.2
58.06611	0.6
59.07388	0.2
60.08153	5.9
66.39774	0.1
67.05489	0.3
71.07362	3.1
71.08613	0.2
71.59873	0.1
80.97465	0.1
81.03380	0.3
86.09691	29.9
87.10042	0.2
91.05488	0.2
95.08594	0.2
98.98450	3.0
102.36678	0.1
104.10724	2.0
107.08604	0.1
116.10685	0.1
121.23590	0.1
124.36729	0.1
124.99984	19.5
130.61411	0.1
143.00986	0.3
184.07309	100.0
185.07617	0.5
259.98450	0.1
267.15793	0.2
298.11197	0.1
302.04025	0.1
313.27240	0.2
505.38437	0.2
573.10883	0.2
597.48077	0.3
665.09186	0.2
688.45349	6.7
689.44867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
55.01866	9.2
55.05250	4.4
55.05498	37.4
57.03433	14.6
58.98703	3.2
59.05001	3.3
60.85964	3.3
61.02915	24.4
65.03912	5.8
67.05496	67.0
69.03420	21.1
69.07054	22.5
71.04975	17.8
71.59590	5.7
71.59966	4.1
73.02908	11.5
74.36485	3.1
79.05480	55.0
81.03394	18.6
81.07047	66.1
83.04978	11.9
83.08590	18.1
85.02876	22.9
85.06523	4.7
90.74689	3.2
91.03949	15.9
91.05473	47.0
93.07030	53.7
95.04963	14.9
95.08591	39.5
97.02880	22.8
97.06536	8.8
97.10179	19.1
99.08124	5.3
101.02416	4.7
105.07018	39.7
107.04938	4.8
107.08583	29.2
109.06503	4.7
109.10133	22.1
111.08070	5.4
115.05400	4.0
117.07009	27.0
119.08585	30.2
121.06509	8.7
121.10126	18.4
123.08080	6.0
123.11706	7.5
125.09644	12.9
127.03909	6.0
128.06215	5.9
129.06989	12.7
131.08562	38.3
133.06511	5.3
133.10130	24.9
135.08035	8.1
135.11707	9.5
137.09592	4.0
141.06970	11.3
143.08551	23.2
145.10121	35.0
147.08051	6.9
147.11655	13.8
151.11113	3.5
155.08559	14.3
156.09341	3.5
157.10094	26.1
159.08029	7.0
159.11617	25.2
161.09688	5.7
161.13199	7.7
163.11188	6.5
166.07838	4.3
167.08542	6.2
169.10129	21.4
171.11656	22.5
173.09671	5.5
173.13286	11.0
175.11198	10.7
177.12662	4.2
179.08571	4.6
181.10156	10.0
183.11711	13.7
185.13228	17.3
187.14803	8.4
189.11172	6.7
195.11655	12.8
197.13229	9.4
199.14844	5.8
209.13237	8.6
211.14867	4.6
223.14868	6.9
227.12769	12.5
259.20490	6.7
273.18756	4.7
275.19977	4.4
283.20520	5.6
297.22052	4.8
299.23776	10.9
339.23251	5.4
357.24667	3.6
394.05005	3.7
415.30243	4.0
433.30991	17.6
451.32013	20.4
469.33228	8.3
469.98550	3.9
507.34549	12.8
517.34991	33.8
525.35730	76.7
539.37030	6.8
543.36664	100.0
557.38934	20.2
575.39465	39.3
657.27155	4.2
679.38812	4.7
687.40936	5.4
705.41382	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	733.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
55.33761	0.9
58.69435	0.8
61.02923	5.4
67.05514	5.7
69.03423	2.7
69.07055	1.6
70.85353	1.6
70.85677	1.6
73.02911	4.1
79.05488	3.0
81.03415	1.7
81.07050	5.7
85.02892	4.1
91.03938	3.3
91.05475	1.9
93.07038	3.1
95.08592	7.7
97.02879	4.9
101.02393	2.5
105.07030	1.2
107.08593	2.6
109.10161	1.5
121.10106	1.4
127.03934	1.4
162.54210	1.0
283.15356	1.1
320.36169	0.9
424.54022	1.1
455.22510	5.2
461.10132	1.0
519.29169	7.1
605.18787	1.0
707.93097	1.1
733.44873	100.0
734.45215	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	731.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05499	1.4
57.03421	1.5
58.60905	0.4
60.43162	0.4
61.02922	5.9
67.05502	4.8
69.03430	3.6
69.07079	1.0
70.79100	1.3
71.04991	0.4
73.02911	3.7
78.90209	0.4
79.05473	2.9
81.03408	1.6
81.07046	5.6
81.42524	0.4
83.04964	0.5
83.08619	0.6
84.21075	0.4
85.02898	4.9
89.73099	0.4
91.03953	3.0
91.05486	1.8
93.07037	4.2
95.04967	1.0
95.08595	3.6
97.02868	5.2
97.06531	0.6
99.04426	0.6
101.02378	1.5
103.03944	0.5
105.07024	1.2
107.00526	0.4
107.08591	2.7
109.02888	0.8
109.10139	1.0
111.08091	0.4
119.08595	1.1
121.10148	2.2
127.03910	2.0
131.08577	0.7
135.11641	1.0
149.13251	1.4
153.71849	0.4
159.11670	0.7
185.04346	0.6
220.65627	0.5
235.13055	1.0
243.08467	1.7
269.17773	0.4
335.25845	0.7
453.20892	4.5
519.29248	9.8
731.43298	100.0
732.43445	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	731.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
58.06594	0.9
63.02373	0.9
69.38767	0.4
69.39169	1.3
70.06555	0.3
72.08130	0.9
78.04661	0.4
84.08133	4.2
89.03904	8.9
91.05457	0.8
95.04935	0.2
98.09679	0.4
103.05435	0.3
103.96250	0.2
105.59464	0.2
106.04162	0.3
107.04956	0.2
110.09659	0.6
110.50275	0.2
112.11230	11.7
113.07121	0.2
117.03365	26.3
118.03722	0.2
119.04921	0.5
121.06522	0.2
129.13866	10.4
131.04868	0.3
134.03624	1.6
135.04391	1.6
137.05855	0.3
139.09283	0.2
144.04382	0.2
145.02824	70.9
146.03177	0.6
147.04355	0.8
149.05969	7.1
155.11781	3.1
158.05994	0.5
161.05920	0.3
162.03102	0.6
162.93111	0.2
163.03902	0.5
175.03893	0.3
176.07047	0.8
177.05443	100.0
178.05765	0.9
186.05469	1.6
207.06470	0.3
217.09662	0.2
218.08571	0.3
218.10452	1.6
219.08859	0.9
233.12808	8.2
234.11214	60.7
235.11600	0.8
236.12888	0.2
248.12888	0.6
269.78073	0.2
305.18552	18.6
306.18945	0.2
313.93286	0.2
353.88422	0.2
379.26907	0.5
396.30289	0.2
405.25177	0.3
481.23254	1.2
498.26074	0.4
537.30670	6.8
537.39038	0.3
538.30627	0.2
555.31683	13.8
556.32227	0.4
713.35352	0.4
714.34033	0.4
731.36377	65.4
732.36523	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06568	1.1
63.02352	0.8
70.86165	0.3
72.08136	0.7
82.13563	0.3
84.08138	4.5
89.03902	10.0
91.05482	1.5
98.09695	0.6
103.05399	0.5
108.42299	0.3
110.09625	0.5
112.11233	13.9
115.51474	0.3
117.03366	24.8
119.04935	2.3
129.13866	13.1
134.03600	1.4
135.04404	1.5
145.02827	72.9
145.93852	0.3
147.04358	2.6
149.05968	8.3
155.11780	4.0
158.05901	0.5
162.03117	0.4
163.03871	0.7
172.94125	0.4
175.03900	1.9
176.07072	0.6
177.05446	100.0
178.05806	0.6
178.13446	0.4
186.05473	1.2
204.10223	0.5
207.06462	1.8
218.10495	1.0
219.08846	1.0
233.12787	5.5
234.11220	64.8
235.11665	0.5
264.12299	1.4
300.61194	0.3
305.18552	19.7
379.26892	0.5
481.23615	0.7
498.26221	0.4
537.30591	5.5
555.31720	18.3
556.32233	0.8
585.32855	0.7
714.33856	0.9
731.36383	67.5
732.36554	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	729.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.05495	0.6
57.03424	1.9
60.60818	0.5
61.02910	5.0
67.05493	4.4
69.03418	2.3
69.07056	0.7
69.87415	2.5
71.04980	5.3
73.02905	3.5
76.29154	0.4
79.05482	1.8
81.51535	0.4
83.04984	0.7
83.08612	1.0
83.28528	0.5
85.02898	4.4
85.06558	0.5
86.09667	0.6
87.04453	0.5
91.03951	2.2
91.05460	3.6
93.07054	3.1
95.08603	1.2
97.02879	3.8
97.06506	0.7
99.04446	0.8
101.02358	1.5
105.07021	2.0
107.08598	1.4
109.02910	0.7
109.10198	0.8
109.44445	0.5
115.03930	0.4
117.06977	0.6
119.08624	0.4
121.10135	0.6
123.11704	1.1
127.03904	1.6
131.08513	0.9
133.10150	3.3
149.13245	0.8
151.11183	2.0
159.11676	0.9
177.12785	0.5
183.13881	0.6
184.07326	0.6
185.04202	0.8
187.13339	0.8
243.08386	2.6
243.15810	0.5
257.17358	1.0
267.15652	2.4
301.20499	0.5
323.18198	1.3
351.31659	0.5
437.25366	0.5
441.20807	0.7
453.20850	0.8
485.23544	14.5
485.30466	0.8
536.74060	0.6
644.36426	0.5
729.40179	100.0
730.40387	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	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01863	0.4
55.05509	0.8
57.03438	2.0
59.05002	0.6
61.02927	4.1
62.56007	0.3
65.03938	0.3
67.05503	2.1
69.03425	2.2
69.07080	0.7
69.53060	2.6
71.01364	0.5
71.04999	1.2
72.03369	0.3
73.02917	2.5
74.18323	0.3
79.05492	2.2
83.04972	0.9
83.08620	1.2
85.02898	5.4
85.06554	0.4
87.04508	0.8
91.03954	2.0
91.05472	3.9
93.07029	1.9
95.04967	1.8
95.08623	1.4
97.02890	3.9
97.06535	0.8
99.04464	0.6
101.02375	0.9
103.03953	0.6
105.07043	2.1
107.04972	0.6
107.08586	1.4
109.02878	0.9
109.06493	0.6
109.10181	0.3
111.04468	0.5
111.08085	0.8
113.42661	0.3
117.07075	0.4
119.04946	0.4
119.08593	1.8
121.10132	2.0
123.08109	0.6
127.03948	1.0
129.07036	0.9
131.08569	1.7
133.10118	1.5
147.04398	0.4
147.11717	1.4
149.09607	1.5
157.10149	1.2
175.11211	1.3
185.04213	0.7
193.12244	2.1
203.05309	0.5
207.06590	0.4
211.13342	0.5
225.14874	0.6
241.13959	0.3
243.08380	2.4
247.70120	0.3
251.12675	0.9
255.15726	0.3
267.15982	1.0
269.12320	0.5
283.06369	0.8
283.15143	3.5
339.17810	0.6
469.20407	8.7
501.23022	8.7
567.31995	0.5
729.36603	100.0
730.36951	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05027	0.5
57.07060	0.1
58.06315	0.2
58.06621	0.5
59.07378	0.2
60.08158	4.4
60.12819	0.1
67.05492	0.4
69.07066	0.1
70.06560	0.1
71.07363	2.2
72.55084	0.1
78.88376	0.1
79.05482	0.3
81.07027	0.3
85.31638	0.1
86.09698	23.1
91.05484	0.2
93.07005	0.2
93.95809	0.1
95.08589	0.3
97.37853	0.1
98.98454	2.1
104.10740	1.9
105.07018	0.5
107.08593	0.2
116.99476	0.2
121.10156	0.1
124.99995	15.7
135.19144	0.1
143.01048	0.3
145.10065	0.1
163.30394	0.1
166.02661	0.1
184.07324	100.0
185.07759	0.3
201.95558	0.1
271.15414	0.1
272.66922	0.1
328.21246	0.1
335.25827	0.2
461.60706	0.1
466.22171	0.3
469.66171	0.1
545.38385	0.2
561.40466	0.1
728.44568	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	728.493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05499	19.5
55.65267	1.1
57.03427	15.3
57.07063	2.3
61.02907	4.0
65.03940	1.9
67.05492	69.3
69.03429	2.0
69.07053	23.7
71.04974	4.7
71.08604	2.2
71.71090	1.2
73.02911	1.3
79.05480	30.1
81.03409	1.3
81.07043	69.9
83.04956	2.4
83.08605	16.3
85.02894	3.8
85.06527	6.2
88.12420	1.4
91.03953	1.5
91.05462	16.7
93.07025	32.5
95.04951	3.9
95.08589	100.0
96.08893	1.3
97.02864	2.4
97.06510	7.2
97.10149	3.4
98.21487	3.0
99.08064	2.9
105.07005	13.4
107.08570	14.7
109.10136	31.1
111.08038	2.4
117.07018	4.3
119.08556	12.8
121.10117	14.0
123.08095	1.8
123.11707	3.7
127.03918	1.4
131.08600	6.6
133.10106	11.6
135.11670	9.8
137.13268	4.3
145.10123	3.9
147.11665	4.1
149.13269	4.6
159.11687	4.4
161.13208	14.4
163.14816	3.1
173.13306	3.3
179.14304	4.3
184.07356	1.5
187.14827	1.6
197.15369	2.3
215.16414	2.9
229.14249	1.5
243.21065	2.6
261.22089	12.4
269.17358	3.1
271.18985	84.5
272.19360	2.1
317.24802	2.4
335.25739	95.3
336.26077	1.9
461.23465	1.4
531.40369	84.8
532.40918	1.2
549.41296	1.4
628.06653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.2
56.05007	0.9
58.06587	0.6
60.08158	6.6
60.68355	0.2
67.05477	0.7
70.00301	0.3
71.04966	0.2
71.07028	0.3
71.07367	3.7
72.64291	0.3
79.05455	0.5
81.07025	0.4
81.53426	0.2
86.09695	31.3
91.05458	0.4
93.07021	0.7
95.08568	0.4
98.98441	2.8
104.10731	3.0
105.06997	0.8
105.08099	0.2
124.99989	19.8
140.63924	0.2
143.01006	0.8
184.07320	100.0
185.07683	0.4
206.10196	0.2
335.25729	0.4
340.24002	0.2
394.43042	0.2
433.69904	0.3
520.33990	0.3
553.08710	0.3
728.44775	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	727.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80320	0.7
53.14612	0.7
53.81499	0.7
55.05521	1.7
57.03438	1.5
59.05015	0.8
61.02928	2.9
67.05500	3.2
69.03425	2.2
69.07095	1.2
70.06582	1.0
70.82458	1.5
70.82800	1.0
71.04997	1.6
73.02913	2.2
79.05493	3.3
81.03419	4.7
81.07056	4.1
83.04980	1.2
83.08630	2.1
85.02913	3.3
91.03970	2.1
91.05463	3.6
93.07045	3.2
95.04958	1.7
95.08611	3.0
97.02900	3.2
101.02355	0.9
105.07032	2.2
107.08582	3.4
109.02913	1.1
109.10172	1.1
119.08617	2.1
121.06540	0.9
121.10146	2.5
121.14236	0.7
127.03876	1.0
131.08588	1.1
133.10120	2.4
135.11734	2.9
145.10141	1.8
147.11731	2.0
149.09630	1.7
153.01968	1.1
163.11227	3.1
175.11237	1.1
181.71165	0.8
184.07355	2.8
193.12257	1.4
207.06439	0.8
227.12814	2.0
243.08493	2.2
249.10982	5.8
283.15189	2.2
305.13492	1.2
339.17917	1.2
367.17606	0.9
448.28036	1.2
461.29196	1.0
462.29480	2.0
467.18936	10.9
501.23047	12.8
727.35046	100.0
728.35449	4.6
758.21735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01862	1.5
55.05503	12.5
57.03426	12.9
57.07063	2.3
61.02915	2.8
62.24293	0.9
63.49574	1.0
65.03908	1.8
67.05499	62.9
69.03412	1.5
69.06716	1.9
69.07064	18.6
70.04205	4.8
71.04973	3.8
73.02901	1.2
79.05486	42.1
81.03397	1.8
81.07047	68.5
82.07367	1.1
83.04967	4.3
83.08611	8.3
85.02899	3.6
85.06516	3.3
87.04438	1.0
91.05463	17.6
91.58652	1.0
93.07032	58.6
94.07362	1.6
95.04952	6.4
95.08598	37.3
97.02868	2.3
97.06525	5.9
97.10172	2.1
99.08079	2.2
105.07019	11.1
105.47628	0.8
106.34039	0.9
107.08582	29.7
109.06516	2.6
109.10139	11.9
111.08061	5.2
117.07001	6.5
119.08566	7.8
121.10137	22.0
122.10536	0.9
123.08005	1.3
123.11679	3.5
131.08545	9.3
133.10117	9.1
135.11674	11.6
137.13232	1.2
139.11142	0.9
145.10110	4.4
147.11685	4.9
149.13240	21.7
159.11685	10.2
161.13232	1.9
163.14815	2.0
173.13225	2.8
175.14734	1.1
177.12708	3.3
195.13799	7.4
213.14789	2.3
243.21059	2.4
254.40202	1.2
261.22134	9.3
267.15872	1.3
269.17438	53.1
270.17853	2.3
295.35849	1.0
317.24829	2.1
335.25748	57.1
336.26236	2.9
412.10330	1.0
423.93427	0.9
424.28159	1.0
437.33914	1.6
529.38843	100.0
530.39020	6.2
611.48572	1.0
629.34906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.93684	0.5
57.03436	0.8
60.08152	0.7
61.02940	0.7
67.05503	4.4
70.26521	1.2
70.26918	1.3
71.04996	0.9
73.02898	0.7
77.03917	0.8
79.05067	0.8
79.05495	11.9
81.03410	2.5
81.07044	2.8
83.04981	1.0
83.08613	0.7
85.02891	1.3
85.27950	0.6
86.09717	5.3
91.05479	2.0
93.07034	1.8
95.04972	5.2
95.08620	1.0
103.05454	8.1
105.07026	83.5
106.07343	1.4
107.08578	1.8
109.06509	0.8
109.10151	2.4
117.07007	0.8
118.06542	0.6
119.08547	0.9
121.10165	0.8
125.00005	3.7
131.08554	0.9
147.04338	0.7
147.11653	0.7
157.10159	0.7
184.07350	15.0
184.08974	1.0
193.12277	0.9
250.16025	0.8
267.15985	0.8
329.02707	0.6
340.26358	1.0
341.32571	0.6
368.25769	3.1
386.27045	1.7
442.29218	0.9
447.27463	3.8
460.30740	1.3
478.33139	1.4
508.34241	7.1
511.32712	0.8
564.36755	4.7
676.38074	1.1
708.22748	0.7
726.42090	100.0
727.42969	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	726.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33815	0.2
55.05495	0.3
56.05038	0.7
58.06612	0.6
60.08157	7.1
67.05502	0.6
67.83819	0.2
71.07368	3.1
71.59467	0.2
79.05486	0.4
81.03387	0.3
81.07046	0.6
86.09698	33.1
91.05509	0.3
93.07037	0.8
95.08591	0.4
98.98457	3.6
101.30996	0.3
104.10738	2.3
105.07005	0.3
112.01941	0.2
124.99992	21.8
143.01065	0.7
155.89819	0.2
184.07321	100.0
185.07648	0.7
208.22389	0.3
293.80554	0.2
296.63300	0.2
365.61801	0.3
466.21411	0.3
529.35797	0.3
726.43262	4.8
751.19617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.6
55.68921	0.2
56.96546	0.2
57.03403	0.3
61.02899	0.2
61.99279	0.2
64.39119	0.2
67.05458	0.5
69.03422	1.6
69.96563	1.0
71.04953	0.3
73.02897	0.2
79.05466	0.2
81.03403	2.0
81.07024	0.4
85.02894	3.0
86.09674	0.4
87.04432	0.2
91.05413	0.3
93.07007	0.2
95.04967	0.3
95.08548	0.2
95.17809	0.2
97.02879	1.8
99.03915	0.2
99.04439	2.0
103.03909	1.5
108.45721	0.2
108.74389	0.2
109.02858	1.4
109.10095	0.2
110.07129	0.3
116.10727	0.2
127.03902	2.5
135.04379	0.2
137.05914	0.4
145.04941	0.9
153.01775	0.4
164.80363	0.2
165.05463	3.5
165.06818	0.3
167.07007	0.3
175.03777	0.2
177.05455	0.3
184.07323	0.6
187.05887	0.5
211.02298	0.2
229.04851	0.2
230.15315	0.2
257.04361	0.4
272.06821	0.6
273.07370	0.4
274.04654	1.2
275.05414	0.4
285.03915	0.8
287.05432	0.3
297.03799	0.5
299.05365	0.4
300.06201	1.8
303.04959	2.4
304.05264	0.2
313.03430	2.3
313.06860	0.3
315.04892	1.2
315.08655	0.7
317.06448	0.4
318.07291	0.6
325.03403	0.2
325.06992	0.4
327.05005	0.4
328.05722	10.8
329.06363	0.3
331.04468	5.5
331.08301	0.4
340.09277	0.2
341.02820	0.6
343.04636	0.2
343.08081	4.2
345.06046	0.9
345.76657	0.2
346.06757	9.8
356.05246	0.9
359.03769	0.7
359.07626	0.3
360.08786	0.3
361.09116	13.8
362.09326	0.4
371.07574	4.7
373.05389	0.5
374.06223	2.2
375.16995	0.2
386.09918	3.4
389.08603	53.8
390.09055	1.1
403.10208	0.6
404.10959	9.5
419.13293	100.0
420.13586	2.3
459.27322	0.2
481.29358	0.2
725.39221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
53.58871	0.7
55.05260	1.0
55.05505	13.0
56.34632	0.9
57.03443	4.9
57.07054	3.1
59.04993	2.1
61.02916	4.3
62.38113	0.8
65.03938	2.1
67.05499	61.6
69.03416	2.5
69.07070	8.2
71.04987	52.4
71.59270	1.0
79.03171	0.8
79.05483	24.4
81.03411	1.3
81.07050	100.0
83.04986	6.6
83.08607	7.5
85.02898	2.4
85.06532	12.6
87.04431	1.1
91.05474	33.3
93.07031	21.9
95.04958	3.0
95.08598	11.3
97.02872	1.6
97.06511	7.3
97.10162	1.9
99.08080	1.7
105.07013	17.3
107.04887	1.0
107.08582	14.7
109.06483	4.1
109.10140	10.9
111.08069	3.2
117.07008	3.7
118.65005	0.9
119.08562	2.8
121.10114	5.4
123.10815	1.1
123.11703	21.0
125.09583	1.4
131.08568	5.2
133.09099	1.6
133.10114	27.6
135.08002	1.7
135.11658	5.5
149.13248	8.0
151.11168	13.8
159.11699	7.6
169.12282	1.6
177.12726	3.7
183.13791	8.2
187.13246	5.9
195.13788	3.8
199.71672	0.9
201.14763	1.3
225.14838	1.9
227.16307	0.9
257.17505	2.6
269.17517	4.8
271.15295	1.4
275.93350	1.0
283.19327	1.2
301.20038	18.8
325.97540	0.9
380.69235	1.0
425.28931	4.7
437.28906	6.0
451.30389	9.5
454.39368	0.8
463.30334	7.0
469.31592	68.4
470.31915	1.5
483.33078	10.2
495.25635	1.1
495.33142	46.5
527.35779	54.6
528.35809	1.2
607.08765	1.1
724.39148	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01849	3.9
55.05502	16.2
57.03427	15.9
60.59865	3.2
61.02909	4.0
61.91748	3.4
66.04249	3.1
66.12366	4.0
67.05161	4.9
67.05499	57.2
69.03411	4.0
69.07062	9.0
69.34667	38.5
79.05486	32.1
81.03412	59.7
81.07058	47.2
83.04953	6.4
83.08607	18.6
85.02897	5.6
91.05470	27.7
93.07043	40.3
95.04967	19.6
95.08610	39.7
97.10170	4.6
98.21481	8.6
105.07032	17.9
107.04959	6.9
107.08576	25.6
108.21465	3.6
109.06501	4.8
109.10155	17.0
111.08048	4.9
117.07056	5.5
119.08550	18.9
120.72979	3.5
121.10131	12.9
123.08127	5.0
123.11584	4.7
129.06984	7.6
131.08548	11.1
133.10136	11.1
135.11705	9.8
142.55995	3.8
145.10025	8.7
147.08113	3.6
147.11670	10.1
149.09613	5.9
149.13257	7.6
157.10143	10.3
159.11714	4.2
161.13248	4.2
173.13255	6.4
175.11166	7.3
193.12254	24.7
212.73914	3.6
220.03818	4.9
221.29570	5.3
227.12814	6.1
235.13148	4.9
243.21091	8.9
261.22113	21.3
267.15875	83.3
279.23709	3.7
301.25266	6.5
309.17044	4.6
335.25772	100.0
353.72626	4.3
453.33221	8.1
468.78946	4.5
527.37280	49.8
545.38269	21.0
562.81067	3.8
594.75098	4.2
697.11896	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	724.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01849	2.6
55.05267	0.8
55.05503	9.6
57.03432	9.4
65.03952	1.0
67.05164	1.3
67.05497	14.7
68.56247	0.6
69.03417	2.7
69.07084	3.4
69.07430	0.8
70.48456	0.6
71.04964	2.4
78.78225	0.8
79.05489	15.1
81.03410	70.1
81.07044	16.6
83.04972	6.4
83.08135	1.4
83.08610	19.4
85.02493	0.7
85.02897	8.1
91.05466	19.3
93.07031	10.3
95.04956	19.5
95.08587	7.0
97.02883	2.3
97.06525	2.5
97.10168	4.7
98.21510	1.7
99.08077	0.8
105.07026	12.7
107.04935	5.9
107.08593	6.7
109.06539	4.3
109.10121	2.4
111.04469	2.0
111.08080	6.7
113.05981	1.0
115.05444	1.3
117.06985	2.8
119.04916	1.1
119.08563	12.3
121.06474	3.8
121.10123	6.8
123.08050	2.4
123.11666	1.5
123.39069	0.8
125.09620	3.9
127.03934	1.0
128.06125	1.1
129.06992	9.6
131.08569	10.0
133.06450	3.2
133.10107	6.5
135.08009	1.6
137.09601	1.5
141.06963	0.8
142.07744	1.6
143.08548	1.1
145.06461	3.2
145.10120	2.6
147.08000	4.2
147.11674	9.3
149.09622	5.3
157.10118	10.5
159.08015	0.9
161.05998	1.0
161.09618	1.0
163.11211	1.8
165.12720	2.1
171.08043	1.4
171.11801	1.0
173.09525	1.1
173.13145	1.1
175.11169	9.1
183.11671	0.9
187.11226	0.9
189.11195	1.7
193.12224	30.4
195.11690	0.8
199.11174	0.8
205.12149	1.0
211.13260	15.7
215.14265	1.7
220.27443	0.8
221.97827	0.8
227.12653	1.7
229.14319	1.0
233.15358	1.0
249.14847	1.9
255.13808	1.4
267.15887	100.0
268.16098	1.0
273.14813	4.4
277.14792	0.7
283.15344	1.0
285.16925	15.1
287.16394	0.8
309.16949	0.8
341.21240	0.9
349.21533	2.3
367.22623	8.7
385.23703	12.7
403.20151	1.0
403.24512	3.8
415.24765	1.0
423.25024	0.9
433.25821	13.7
441.26297	7.7
459.27365	66.4
460.27756	1.9
477.28445	40.2
491.29483	0.8
501.28647	1.1
519.29218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03433	0.7
60.42205	0.5
61.02917	0.8
67.66341	0.4
68.05015	4.4
68.99786	1.0
69.03429	3.5
70.02948	0.5
70.06592	7.2
70.56152	0.5
71.34162	1.0
81.03423	2.9
85.02895	5.8
86.06050	0.8
91.05495	0.6
97.02886	2.4
101.11906	0.4
103.05457	0.5
109.02865	2.1
112.11248	0.7
114.05531	5.1
117.03361	1.9
119.04940	1.2
121.02873	0.6
127.03906	1.5
129.13857	0.7
133.06401	0.6
135.04378	1.6
137.02328	38.8
137.03307	1.3
139.03786	0.5
145.02824	0.9
145.06479	0.5
147.04323	1.1
148.10112	0.5
150.57483	0.5
153.01773	0.7
157.06485	0.5
159.04288	0.5
160.07410	0.5
161.02319	1.6
163.03908	0.6
165.01816	0.7
173.05914	0.5
175.03813	0.6
177.05429	1.4
179.03395	0.7
180.06554	0.7
185.06009	1.1
187.03857	1.2
189.01828	0.6
189.05548	0.5
191.03485	0.8
193.04945	0.7
195.02824	0.5
199.03966	0.7
199.07512	1.0
201.05479	2.3
203.03366	1.8
205.04932	0.6
207.02850	2.2
207.06549	1.2
211.03830	0.9
214.08582	0.6
215.03482	0.6
215.07021	0.7
216.04333	0.5
216.06514	0.6
217.04953	3.0
217.80009	0.5
219.06523	0.8
221.04431	1.4
225.05469	1.6
226.04988	0.8
226.08560	1.3
227.03319	1.5
227.07040	1.8
228.06479	5.4
229.04865	3.0
231.02921	1.4
235.05876	0.6
242.08115	0.9
243.06540	1.0
245.04492	0.7
269.08096	1.1
270.07675	0.7
277.03311	0.8
279.06528	0.7
283.06085	1.1
295.05820	1.1
297.07666	1.3
299.05508	3.5
300.06165	0.8
307.06042	1.7
308.06781	0.5
309.07516	1.0
310.04727	2.8
311.05457	14.0
313.07083	1.2
320.06662	1.1
321.07669	2.7
323.05511	11.4
323.09058	1.5
324.06192	1.5
325.07010	8.6
329.06540	8.0
333.07535	4.9
335.05344	2.1
335.09149	4.7
336.06195	3.6
337.06976	9.7
338.07498	1.1
339.08545	3.3
340.09393	3.1
341.06686	1.6
345.07504	2.9
347.05347	0.6
347.09088	1.4
348.08725	1.5
349.07016	8.7
349.10898	0.9
350.07486	4.3
351.08588	7.2
353.06464	7.8
353.10074	0.6
355.07996	1.2
359.08997	2.3
361.07040	3.0
362.10324	1.6
363.04184	1.0
363.08600	16.6
364.09186	1.9
365.06433	8.2
365.10339	1.5
366.09741	1.8
367.08075	1.9
369.09604	1.6
375.08786	1.0
377.05768	3.1
377.10736	3.1
378.09677	2.8
379.08078	10.8
380.11407	1.4
381.09656	7.3
387.08630	1.0
389.06253	2.6
393.09619	1.9
395.07440	2.0
396.10583	1.3
400.10284	3.3
403.08176	2.3
405.09698	3.2
407.07550	13.6
412.10214	11.1
417.09869	0.6
420.10596	2.9
421.09256	3.5
422.12363	1.0
424.10257	9.0
425.08740	3.8
431.08398	1.0
435.10925	0.6
442.11301	100.0
443.11749	1.0
449.08737	3.2
462.11905	0.7
466.11301	42.1
467.11395	0.6
473.08188	0.6
478.11246	1.5
490.11414	2.2
496.12323	7.9
508.12329	5.8
526.13391	13.8
527.13568	0.7
544.14484	26.6
562.15625	1.9
586.14673	0.7
604.16687	3.0
688.17975	0.5
706.19141	0.6
724.21222	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	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05509	16.1
55.81560	2.7
57.03419	11.3
57.07053	2.8
59.04986	2.4
67.05498	76.6
69.03410	10.5
69.07057	17.6
69.55858	6.5
69.56279	13.4
71.04985	23.0
79.05482	35.7
81.03407	22.7
81.06577	5.1
81.07047	100.0
83.04972	26.5
83.08592	11.7
85.02865	3.0
85.06522	9.7
88.99310	2.6
91.05463	39.5
93.07026	42.0
95.04950	6.4
95.08593	41.7
97.02865	4.6
97.06543	3.6
97.10162	2.7
99.08071	2.9
103.77408	3.4
105.07000	21.6
107.08595	24.7
109.02862	5.4
109.06490	3.9
109.10133	16.9
111.04432	5.4
111.08048	4.5
117.06976	9.7
119.07781	2.4
119.08549	13.3
121.10126	15.9
123.08059	3.8
123.11691	14.0
129.05443	8.4
129.06987	5.5
131.08560	9.8
133.10126	25.2
135.11687	9.3
145.10109	7.4
147.11662	9.5
149.13245	9.4
151.11153	5.3
155.74739	3.1
157.10170	3.8
159.11652	11.2
161.13231	3.5
165.12778	4.1
169.10130	3.6
169.12206	4.8
173.04417	7.6
173.13147	3.5
175.11157	4.6
177.12730	4.3
179.14241	2.5
183.11623	2.7
183.13785	3.7
187.13264	18.2
195.13808	6.8
201.14868	4.5
223.66516	2.6
225.14679	3.2
243.15919	6.7
253.19925	2.6
257.17493	3.7
261.22031	4.5
269.17432	11.0
295.82275	2.6
313.57108	2.7
331.31747	2.8
335.25763	24.2
339.17819	3.0
351.22894	2.7
435.51575	2.9
461.28748	4.4
503.37296	45.0
504.37317	3.4
505.38712	23.6
529.38599	10.1
561.41412	33.0
594.84802	2.9
647.40894	3.1
673.42834	9.4
705.45129	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	723.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.05510	20.0
57.03426	5.7
57.07069	2.1
60.08163	2.1
65.03925	3.1
67.05501	64.6
67.33008	1.7
69.03430	10.3
69.07060	17.4
69.37755	17.2
71.04983	20.8
79.05483	34.0
81.03409	18.2
81.07050	100.0
83.04977	22.0
83.08620	8.1
85.02883	3.6
85.06528	7.7
86.09701	10.9
91.05476	32.9
93.07035	36.4
95.04951	8.3
95.08595	35.2
97.02893	4.8
97.06543	6.2
97.10126	3.6
98.98441	2.2
99.04443	2.7
105.07032	22.3
107.04936	3.9
107.08591	23.3
109.02865	2.9
109.06487	3.6
109.10124	16.9
111.04421	4.6
111.08087	2.0
117.07011	6.1
119.08574	11.8
121.10133	19.4
123.08067	4.0
123.11676	13.2
125.00011	9.7
125.09616	2.0
129.05479	9.2
129.07024	3.8
131.08553	14.7
133.10120	22.8
135.11635	9.3
137.09654	2.4
139.60913	1.8
143.08531	3.2
145.10144	6.9
147.11668	8.8
149.13245	7.5
151.11192	5.4
155.08568	3.0
157.10097	3.6
159.08046	2.8
159.11711	7.1
161.13303	4.6
171.11662	2.1
173.04460	5.9
173.13168	2.8
177.12778	5.2
183.13829	2.8
184.07338	33.7
185.07745	4.4
185.13153	1.9
187.13287	11.8
187.14807	3.2
188.91325	1.7
193.12294	2.3
195.13786	2.2
201.14830	2.0
225.14815	3.3
227.16357	1.9
231.08759	2.1
243.15981	5.8
243.21288	1.8
261.22235	2.9
269.17487	9.2
279.95132	1.7
316.74268	1.8
335.25806	21.8
343.70633	1.8
369.24146	3.8
413.21771	2.0
445.24158	4.3
461.29236	2.5
503.37274	37.6
505.38828	21.4
517.38947	3.9
529.38892	9.9
561.41376	26.7
655.41754	2.8
673.42590	4.9
691.43835	3.1
705.45410	6.6
723.46399	54.8
724.46411	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	723.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
53.98837	1.7
55.01870	2.6
55.05263	2.1
55.05508	23.3
57.03437	9.6
57.07088	2.2
65.03922	2.7
67.05500	75.4
69.03429	11.6
69.07060	19.1
71.04989	25.4
75.20083	1.6
77.03906	1.9
79.05486	44.9
81.03414	18.0
81.07050	100.0
83.04978	18.0
83.08627	8.8
85.02901	5.6
85.06552	7.1
86.09711	4.7
91.05469	33.1
93.07032	36.3
95.04957	8.6
95.08591	35.8
95.09149	2.6
96.24094	1.8
97.02915	5.0
97.06551	8.1
97.10182	4.7
99.04421	1.9
102.56242	1.6
103.03957	2.0
105.07020	25.5
107.04973	3.8
107.08582	22.7
109.02868	2.6
109.06499	5.0
109.10146	22.8
111.04423	4.3
111.08054	3.0
117.07021	9.4
119.08582	13.8
121.06476	2.4
121.10115	14.4
123.08080	2.7
123.11666	11.7
125.09606	2.1
128.06209	2.8
129.05482	7.7
129.07007	5.7
131.08548	11.3
133.10139	20.2
135.01430	1.8
135.04431	2.1
135.08043	2.4
135.11708	11.0
137.09615	3.0
139.11182	2.8
141.06992	2.6
143.08554	5.9
145.06506	1.7
145.10106	9.1
147.07999	2.2
147.11659	11.5
149.09636	2.5
149.13280	7.4
151.11180	5.1
155.08566	3.1
157.10156	5.3
159.08090	1.8
159.11679	11.9
161.09631	1.7
161.13315	4.6
165.12720	2.6
169.10161	3.5
171.11674	3.6
173.04422	2.7
173.11772	2.3
173.13263	3.4
175.11177	2.5
175.14813	2.9
177.12793	3.1
183.11748	2.0
183.13768	2.3
184.07304	10.4
185.13240	2.0
187.13335	9.2
187.14870	3.1
193.12221	2.0
195.13870	3.1
199.14818	1.9
201.14803	1.8
201.16684	1.7
225.14842	5.1
227.16399	3.8
229.14265	3.0
241.17949	3.0
243.15962	5.2
248.68034	1.8
251.03900	1.6
257.17493	4.3
261.22177	3.5
266.48132	2.0
269.17352	11.4
271.66974	2.0
289.25476	1.8
299.18613	2.1
301.20084	3.1
335.25745	11.7
341.24841	3.6
345.23770	2.3
369.24252	3.9
387.25168	3.6
413.21768	3.4
445.23950	3.5
461.29492	2.5
503.37286	24.1
505.38846	28.4
529.38812	7.3
543.37286	2.1
561.41699	12.1
627.42572	2.2
673.42902	7.7
705.45544	4.6
723.46472	87.9
724.47217	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	723.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03426	1.3
57.07053	2.9
60.08143	1.1
61.02911	3.2
63.37045	1.0
67.05486	1.7
69.03421	2.1
69.66371	0.8
71.08620	2.1
73.02903	2.1
79.05487	1.5
81.03405	1.3
81.07037	2.3
83.08601	1.3
85.02885	2.8
85.10149	1.0
86.09683	2.8
88.84785	0.8
91.03945	2.0
93.07042	2.1
93.47207	0.9
95.08596	2.8
97.02892	2.7
97.54119	0.8
98.21604	1.7
101.02361	1.2
107.08575	1.8
109.10203	0.8
116.72855	0.9
124.99977	2.2
127.05408	1.0
135.11656	2.7
138.36873	0.8
145.10109	1.6
158.35201	1.0
163.11171	3.3
184.07327	11.3
185.07675	1.7
187.96344	0.8
227.12830	1.1
243.08391	1.4
249.10959	8.1
260.46518	0.9
305.13535	1.6
467.18799	9.5
497.30786	4.5
540.47864	1.0
722.51086	1.7
723.42645	100.0
724.43018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.4
58.06606	0.5
60.07878	0.3
60.08159	5.6
69.51772	2.3
71.07368	3.2
78.25927	0.3
79.05521	0.3
81.07050	0.4
81.24554	0.3
86.09695	31.3
98.20773	0.7
98.98456	3.3
104.10716	2.5
124.99991	20.4
143.01021	0.4
184.07321	100.0
185.07751	0.4
280.40283	0.4
361.47009	0.3
443.98877	0.3
690.46826	0.6
722.49615	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	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01863	3.2
55.05519	6.6
57.03437	8.8
57.10361	1.2
67.05508	13.2
69.03416	2.8
69.07059	4.7
71.04984	3.2
71.60001	1.9
71.60428	1.3
79.05488	18.6
81.03413	45.1
81.07056	15.9
83.04966	5.0
83.08617	12.6
84.01190	1.3
85.02888	2.1
85.06555	1.3
91.05478	12.3
93.07042	19.9
95.04966	18.8
95.08600	21.9
96.89473	1.2
97.02900	3.8
97.06506	2.2
97.10115	1.4
99.04462	2.9
100.11516	1.2
103.05468	1.2
105.07005	8.2
105.39413	1.3
107.04955	8.1
107.08594	20.6
109.06557	2.6
109.10154	3.9
111.04384	1.6
111.08080	4.1
117.07037	6.1
119.08565	12.0
121.06507	5.2
121.10138	10.8
125.06017	1.6
127.03921	1.4
129.07010	4.6
130.07780	1.2
131.08556	5.2
133.06490	2.2
133.10120	4.3
135.08011	2.2
135.11682	30.5
139.07541	1.6
142.07816	1.3
145.10112	18.2
147.07985	1.8
147.11665	4.8
149.09621	3.2
153.01848	2.6
157.10124	6.0
163.11180	43.6
175.11182	4.5
181.12245	7.0
193.12199	11.3
227.12759	37.2
235.61070	1.3
249.14767	1.7
267.15903	84.4
268.16302	2.5
283.15402	54.2
475.26920	100.0
476.27347	2.8
493.28177	1.4
517.27985	2.3
621.88672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75124	2.1
53.03933	7.0
55.01865	4.1
55.05266	1.8
55.05508	25.0
57.03435	11.3
57.07083	3.8
61.02910	5.4
65.03923	3.4
67.05499	71.2
69.03417	15.9
69.07058	20.4
71.04988	28.0
71.59397	3.0
73.02897	2.9
73.06554	1.9
79.05482	49.6
81.03408	31.6
81.07048	100.0
83.04961	7.6
83.08617	11.2
85.02873	7.9
85.06550	10.8
87.04450	1.9
91.03920	3.3
91.05478	54.1
93.07034	54.5
95.04943	9.9
95.08591	35.9
97.02874	7.6
97.06525	12.0
97.10155	3.5
98.55556	1.9
99.04431	5.2
99.65910	2.1
105.07018	47.3
107.04928	3.8
107.08575	38.0
109.02847	5.7
109.06493	5.6
109.10159	15.4
111.04424	2.8
111.08075	4.8
115.05423	2.8
117.07012	20.9
119.08561	32.1
121.06503	4.3
121.10128	20.6
123.08073	3.8
123.11684	11.1
127.03870	4.3
128.06198	3.3
129.05443	2.5
129.06982	16.5
131.08565	33.7
133.10121	31.5
135.08054	2.6
135.11664	19.8
137.09576	2.6
141.06978	4.1
142.06569	1.6
142.07759	4.8
143.08546	15.6
145.10109	23.8
147.08035	2.8
147.11673	20.9
149.09599	3.8
149.13251	14.4
149.14288	3.0
151.11121	6.1
155.07301	2.3
155.08507	10.3
157.06448	2.0
157.10095	17.5
159.08018	3.3
159.11688	23.8
161.13268	9.3
163.14734	3.4
165.12779	3.7
167.08539	3.8
169.10107	8.5
171.08015	5.3
171.11656	17.3
173.04422	16.3
173.13245	12.1
175.11201	4.4
175.14819	6.0
177.12746	3.3
181.10094	5.9
183.11728	13.1
183.13217	2.3
185.13272	11.7
187.11238	2.6
187.13255	8.8
187.14674	4.9
189.12718	2.1
193.12151	4.8
195.11626	3.3
197.13254	7.5
199.14783	6.4
201.14751	2.3
206.25925	2.0
207.11711	3.1
209.13263	3.5
213.12677	2.5
213.16510	3.1
221.13248	2.6
223.14761	3.3
225.14775	3.2
227.16399	4.8
239.17685	2.3
241.19473	6.3
243.15923	6.3
243.21089	2.9
259.20810	11.3
261.22052	5.0
269.17319	5.0
271.20627	2.8
275.20410	3.0
279.20877	2.1
285.21988	2.9
287.19891	2.2
301.20322	2.9
313.21771	2.7
315.23047	4.1
317.24533	4.1
333.24200	7.6
335.25717	4.2
338.73303	2.2
339.23016	2.7
341.24722	3.4
351.22968	2.2
367.22540	3.9
369.24020	2.3
385.23782	3.1
393.31332	2.8
411.32568	3.5
413.21555	2.5
435.32468	7.0
445.24249	2.9
483.34915	3.1
485.36118	2.7
491.36923	3.0
501.35779	20.2
503.37265	66.1
509.36099	3.5
522.30316	2.1
527.37329	40.0
533.38171	5.5
545.38123	2.5
559.39777	6.8
581.40228	2.5
635.39276	2.8
635.98499	2.9
653.39954	4.2
667.41821	5.8
671.40936	5.8
685.42578	4.5
689.42816	11.8
703.42914	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	719.436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	32.0
57.03431	11.1
57.07054	8.0
61.02910	18.0
67.05494	60.7
69.03440	9.6
69.07057	24.3
70.11620	33.6
73.02934	10.2
79.05483	53.4
80.65882	5.8
81.03400	20.6
81.07049	54.8
83.04972	7.1
83.08600	8.8
85.02886	9.0
89.66817	6.0
91.05474	63.3
93.07033	67.4
95.04982	14.2
95.08595	35.0
97.02876	13.6
103.05506	8.3
104.10709	7.4
105.07040	55.9
107.04913	7.4
107.08550	19.6
109.06495	13.7
109.10139	15.4
110.54504	7.5
117.07037	16.8
119.08567	48.3
121.10126	14.7
129.07037	14.3
131.08556	25.3
133.10114	27.5
135.11700	12.1
141.06982	7.7
143.08572	14.8
145.10133	34.9
147.11681	25.3
149.13258	8.5
155.08563	16.3
157.10120	16.0
159.11691	22.1
161.13181	10.5
167.08521	9.4
169.10092	24.2
171.11719	23.8
173.13245	23.2
181.10098	9.8
183.11670	11.4
184.07297	12.0
185.13199	14.4
189.12672	7.4
193.10104	8.7
199.14812	9.1
209.13354	9.8
213.16299	6.2
241.19469	11.2
259.20560	30.4
272.73770	7.0
281.17526	30.0
333.24255	9.8
408.24643	7.3
447.32422	17.8
465.33459	18.0
483.34262	10.4
516.44867	7.4
529.38751	8.7
537.68091	7.4
539.37177	100.0
557.38538	63.5
701.41730	12.9
719.46179	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	718.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.07070	31.7
66.56104	0.8
67.25871	0.6
69.07060	2.4
71.08624	24.9
71.59688	0.7
73.02919	1.3
73.06544	10.7
81.03386	0.7
83.08616	2.0
85.10174	18.4
86.09719	0.9
87.04459	11.3
89.06020	100.0
91.07594	0.8
91.57674	0.6
97.10155	2.8
99.11710	4.2
107.07036	4.4
113.13264	1.2
117.09109	8.4
124.99936	0.7
130.08621	3.2
131.07037	3.2
133.08588	48.8
135.10130	1.0
155.17915	3.4
161.11751	2.4
175.09642	1.9
177.11209	19.9
184.07320	2.9
193.10262	0.7
199.20566	4.0
208.79840	0.7
219.12122	1.0
221.13858	2.3
239.14928	1.4
243.23183	7.6
249.31279	0.7
283.17493	1.8
287.25687	4.2
364.63538	0.8
522.37274	0.8
547.33929	0.8
701.50568	2.2
718.47858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06568	1.5
62.01521	0.5
63.02357	0.8
65.03906	1.0
66.74307	0.5
68.64666	0.4
69.65523	1.7
69.65950	1.4
70.06566	1.0
72.08121	1.5
79.05450	0.8
84.08124	8.1
89.03413	0.4
89.03896	9.5
91.05469	7.3
96.32752	0.4
98.09615	0.5
98.20823	0.8
103.05453	0.6
107.04951	0.6
110.09644	0.8
112.11224	26.8
113.07140	0.5
117.03357	23.3
119.04080	0.9
119.04919	14.3
129.13853	24.9
134.03600	1.2
135.04391	6.5
135.67953	0.5
137.05930	0.5
145.02815	61.7
146.03131	0.7
147.04385	21.9
148.04774	0.5
149.05945	7.0
153.01828	0.7
155.11765	5.9
162.05447	0.5
163.03873	57.9
164.04306	0.7
165.03957	0.5
167.91072	0.4
175.03885	12.5
176.04311	0.7
177.05437	68.4
178.05760	1.3
186.05447	1.2
204.10185	1.8
206.08192	0.5
207.06493	17.2
219.09129	0.8
219.11198	4.6
220.09644	59.3
221.09991	1.5
233.12784	2.5
234.11197	33.3
235.11790	0.5
248.12854	0.6
263.13873	1.0
264.12259	12.8
266.93005	0.4
275.17493	1.1
291.16971	16.6
301.25421	0.5
305.18524	10.5
333.12061	0.4
335.19553	3.8
379.27203	0.9
428.39621	0.4
481.23618	0.7
511.29169	1.7
522.56030	0.5
523.29059	3.4
541.30115	12.4
541.38367	0.8
553.30298	1.6
555.31787	5.1
571.31293	4.2
717.34784	100.0
718.35126	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	709.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.05501	26.4
57.03431	10.8
57.07064	3.9
59.05002	2.9
65.03918	3.7
67.05498	73.6
69.03412	15.5
69.07063	16.8
71.04984	11.8
71.08597	3.1
73.02882	2.6
73.16451	2.3
79.05486	36.6
81.03415	25.9
81.07045	100.0
83.04980	18.7
83.08592	11.4
85.06540	9.2
91.05476	32.2
93.07034	41.5
95.04955	8.8
95.08601	37.1
97.00098	2.3
97.02883	8.5
97.06514	7.1
97.10124	2.7
99.04446	5.1
105.07014	24.1
107.08578	24.4
109.02857	4.9
109.06509	2.7
109.10124	14.2
111.04448	6.7
111.08091	3.3
117.07013	9.6
119.08598	12.3
121.06495	2.7
121.10129	16.7
123.08058	2.7
123.11708	11.0
129.05508	13.2
129.07018	4.1
131.08554	10.3
133.10129	17.0
135.11673	11.7
143.08424	2.1
145.10136	4.0
147.11674	7.5
149.13286	11.1
151.11137	2.7
157.10245	3.9
159.11633	15.1
163.11172	2.9
163.14798	2.6
173.04434	11.6
173.13287	3.0
175.06023	3.0
175.11246	2.7
177.12776	4.8
179.14322	2.8
184.07292	3.3
187.13280	9.4
187.14824	4.0
195.13826	6.0
243.15878	39.4
261.22064	10.0
269.17480	9.7
287.18488	4.2
335.25781	29.8
337.27328	2.9
339.18036	4.1
351.23096	3.1
378.63916	2.4
413.21472	3.6
431.22656	4.0
503.37308	41.0
505.38251	3.5
529.38879	13.5
547.39783	6.3
647.41150	2.4
673.43256	4.3
686.50482	2.7
691.31848	3.1
691.43585	5.8
709.45361	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	709.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.7
62.34813	0.4
69.07075	0.4
70.06574	0.9
71.04986	1.2
71.59496	0.6
72.08115	0.5
77.59184	0.4
79.01764	0.4
81.03400	0.5
81.07051	0.7
84.08158	0.6
85.02892	2.6
86.09700	0.6
87.04463	0.5
91.05484	0.7
93.07060	0.4
95.08587	0.4
103.05443	0.8
103.07551	0.5
107.08647	0.4
110.46882	0.4
112.11253	0.5
117.03453	0.6
119.04913	0.6
119.08475	0.5
124.83735	0.4
131.04918	1.7
137.05983	1.5
143.03345	0.7
145.02866	1.0
147.04460	0.9
153.01828	7.9
153.02982	0.9
163.07590	1.7
177.05469	1.2
207.06514	0.6
214.42035	0.4
235.26633	0.4
287.05499	1.3
359.10840	0.5
361.02155	0.7
363.18594	0.6
382.22754	0.5
547.34497	3.4
589.35638	0.5
709.39697	100.0
710.40277	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	708.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69728	0.6
53.03933	1.0
55.01855	0.9
55.05514	0.8
57.03418	2.0
71.04987	18.4
71.59822	1.3
72.62917	0.6
75.04454	0.9
77.03905	0.8
79.01846	2.3
79.05475	2.2
85.02898	21.9
87.04404	0.7
91.05459	1.9
95.04940	1.5
97.02879	0.9
99.04440	1.6
103.05457	39.6
104.05757	0.7
105.07023	24.3
107.04934	0.7
109.02829	0.6
111.04443	0.6
115.05448	4.9
118.04156	1.0
124.63613	0.5
125.02343	2.2
129.05476	5.6
129.61626	0.5
131.04915	100.0
132.05327	1.8
133.06483	20.5
137.05957	3.6
143.03372	6.4
143.06038	1.0
145.06458	1.0
146.08122	3.9
147.06523	4.0
153.01811	93.4
154.02119	1.4
161.05965	26.3
162.06296	0.9
163.07526	34.7
164.07866	1.0
164.09134	5.4
167.07005	9.9
175.07518	1.5
178.06241	1.1
181.08585	1.2
193.08586	43.1
194.08940	0.8
205.08647	0.7
207.06534	0.8
210.14912	0.8
211.09589	3.0
299.07620	0.8
302.03952	0.7
321.17648	0.7
333.09644	78.3
334.10046	1.4
363.10709	34.2
364.10840	1.1
389.09937	0.7
425.12888	0.6
479.15503	3.1
535.21844	0.7
667.78021	0.6
708.38892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56906	1.7
53.03946	4.6
55.01876	2.4
55.05502	20.4
57.03432	7.6
57.07084	2.3
60.08163	6.4
61.02914	2.3
65.03942	1.9
67.05500	41.0
67.05866	2.1
68.05842	1.9
69.03423	13.6
69.07054	9.1
71.04982	3.6
71.07365	3.0
78.30608	2.1
79.05487	23.7
81.03406	50.7
81.03842	2.9
81.07047	37.6
83.04967	23.4
83.05384	2.0
83.08626	15.2
85.02921	8.0
85.06518	3.1
86.09695	31.8
87.04463	2.5
87.10027	2.8
91.05474	23.4
92.88345	1.8
93.07029	24.4
93.07536	2.1
95.04957	11.1
95.08595	26.3
97.02863	11.2
97.05962	1.8
97.06546	4.6
97.10175	4.1
98.20735	5.6
98.98459	3.4
99.08105	1.9
104.10764	2.2
105.07019	16.4
107.04962	4.2
107.08584	15.3
109.02885	5.2
109.06532	3.9
109.10154	12.7
111.04446	11.5
111.08109	6.9
117.07043	8.3
119.08591	11.3
121.06533	2.9
121.10106	9.1
123.08087	2.2
123.11716	6.1
124.99979	24.7
125.09616	3.4
126.00383	2.9
127.03946	6.1
128.06316	2.4
129.05522	6.4
129.07034	8.6
131.08533	10.2
133.10078	10.7
135.08070	3.6
135.10843	2.6
135.11757	8.4
143.08574	3.9
145.10191	7.8
147.08095	3.3
147.11644	9.5
149.09657	2.5
149.13203	2.3
151.11160	2.1
151.17776	1.9
153.12743	4.0
155.08681	2.1
157.10170	8.5
159.11728	4.6
161.13332	3.7
163.11159	5.1
163.15013	2.3
165.12842	2.2
171.02614	1.9
173.09689	2.6
173.13297	2.7
175.11266	5.8
175.14822	2.5
181.12282	4.0
183.11754	3.7
184.07320	100.0
185.07690	16.4
191.10716	3.5
193.12219	19.5
197.47731	2.3
211.13280	33.7
227.12935	7.2
229.14343	2.8
261.22336	7.1
267.15985	4.7
283.15698	4.0
285.17105	8.6
335.25772	18.0
337.27512	6.7
355.17664	2.2
369.24426	3.0
387.25589	2.2
429.21664	2.7
479.30563	2.6
527.37201	4.5
545.38464	14.9
609.45905	3.0
671.42365	3.5
678.55591	2.3
689.42706	8.5
707.39563	5.0
707.49274	82.5
708.50195	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	707.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60479	0.8
54.03310	0.7
67.05508	2.4
69.07066	1.0
69.40854	7.7
71.04976	1.1
72.02052	0.9
81.07050	2.4
82.20143	0.8
86.09683	1.7
87.04469	1.5
91.05475	1.5
93.07019	1.7
95.08617	1.7
98.20705	1.4
105.06999	1.8
107.08596	0.9
121.10172	0.8
124.99983	2.0
184.07318	9.9
185.07703	1.7
202.52925	0.8
215.75093	0.8
225.47142	1.1
235.34406	0.8
293.45920	0.9
301.76303	1.0
312.04999	0.9
535.26276	0.8
707.37567	100.0
708.37878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.7
58.58580	0.8
67.05499	1.8
69.03423	0.9
69.07056	1.6
70.66038	2.6
71.04987	0.9
79.05479	1.3
81.07058	2.4
86.09712	2.3
86.23294	0.8
93.07050	1.5
95.04995	1.0
95.08594	1.5
105.07042	1.0
107.08624	1.2
110.58799	0.8
119.08581	0.9
121.10193	0.9
124.99995	1.0
131.08511	1.2
133.10156	1.0
184.07324	7.9
245.12352	0.8
429.15311	1.2
455.35046	0.9
484.19278	0.9
707.37549	100.0
708.37750	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	705.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.8
51.14932	0.7
53.00317	0.8
53.03944	9.6
55.01869	4.6
55.05508	23.2
57.03434	6.0
57.07065	2.7
58.27674	0.9
59.04984	1.7
60.77443	0.8
61.02917	1.9
65.03944	6.0
67.05502	91.4
69.03066	1.5
69.03427	25.7
69.07066	20.0
71.01362	1.2
71.04990	56.8
71.08629	1.2
73.02909	1.0
73.06524	1.2
77.03941	0.7
79.05490	64.6
80.05847	0.9
81.02695	1.2
81.03059	1.1
81.03416	56.1
81.07053	100.0
83.04527	1.6
83.04976	13.4
83.08614	12.3
85.02897	7.9
85.06540	7.6
87.04477	2.3
87.89377	0.8
91.05475	63.5
93.07040	69.7
95.04967	17.7
95.08600	39.7
97.02885	15.4
97.06523	9.3
97.10134	4.2
99.04459	7.1
99.08100	2.6
103.05483	1.3
105.04540	2.2
105.07024	37.1
106.68551	0.8
107.04962	3.4
107.07863	1.8
107.08590	37.0
109.02889	10.7
109.06511	6.9
109.10145	15.6
109.10821	1.4
111.04441	8.9
111.08080	5.2
111.20988	0.7
111.92081	0.8
113.06025	1.5
117.07008	13.9
119.08575	18.5
120.03884	0.9
121.06533	2.2
121.10134	23.3
123.04406	0.9
123.08081	2.8
123.11706	14.7
125.06113	1.0
125.09653	2.7
127.03918	9.0
128.06261	1.6
129.05501	2.5
129.06993	5.2
131.08562	20.1
133.06476	1.7
133.10123	28.8
135.08060	2.3
135.11676	13.9
137.09657	0.8
141.07021	1.6
142.07793	1.1
143.08578	4.1
145.06544	1.3
145.10120	10.6
147.08070	1.1
147.11703	11.3
149.09650	2.4
149.13246	13.9
151.11179	12.7
155.08559	2.8
157.10110	5.7
158.91551	0.8
159.11694	17.0
161.09615	1.9
161.13229	5.2
161.97966	0.8
163.11142	0.9
163.14937	1.1
165.12781	2.8
167.14297	1.0
169.10162	2.2
169.12323	3.6
171.06584	1.9
171.11729	3.0
173.04451	15.8
173.09625	0.9
173.11942	0.9
173.13203	4.4
175.11223	3.3
175.14844	1.8
177.12749	8.2
181.10114	1.1
181.12291	1.6
183.06538	2.0
183.11998	1.6
183.13853	9.0
184.07317	4.2
185.09703	1.1
185.13287	2.1
187.11494	0.8
187.13292	16.1
187.14816	1.6
189.12811	1.4
193.10443	1.0
193.12363	2.3
195.11975	1.5
195.13765	8.5
197.09602	1.2
197.13358	1.3
199.14891	1.3
201.14813	5.8
203.58875	0.9
209.13335	1.7
211.13242	1.2
213.12941	1.1
213.14813	1.9
225.14751	1.0
229.14262	0.8
229.27457	0.8
231.21057	1.0
233.15527	0.8
241.17928	1.0
243.21196	1.3
257.17441	4.4
259.20670	2.2
261.22064	5.6
267.16037	1.2
269.17514	2.8
277.14386	1.2
277.21960	1.1
285.17255	1.0
293.17337	0.9
295.15860	0.9
299.23917	1.2
301.21619	1.8
317.24771	1.9
321.17108	2.5
327.23254	1.0
335.25873	6.3
339.18094	10.6
341.24808	1.6
345.24670	1.2
349.27493	6.0
351.23309	1.2
363.25293	1.0
369.19971	0.8
369.24484	3.6
371.20950	1.2
387.25272	2.1
395.20917	4.0
425.27335	1.0
427.23322	3.9
443.28079	2.4
461.29230	3.1
470.98340	0.8
501.39532	2.8
503.37173	4.4
517.38940	10.4
529.38776	3.4
543.36664	6.1
561.41479	4.9
611.40210	1.0
629.41718	1.1
655.42157	1.8
661.43323	1.2
673.43243	7.0
687.44739	1.8
705.45715	65.7
706.45740	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	705.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.1
53.03939	10.3
55.01861	4.0
55.05505	27.0
57.03425	7.1
57.07072	4.7
65.03944	6.7
67.05498	91.8
67.89924	1.4
68.05833	1.6
69.03423	26.9
69.07058	19.4
69.38718	15.6
71.01350	1.9
71.04987	65.8
78.00696	1.8
79.05483	65.3
81.03412	49.6
81.07047	100.0
83.04976	14.0
83.08603	10.9
85.02908	6.1
85.06551	8.2
86.09705	4.7
89.06017	1.9
91.05473	64.2
93.07034	65.0
95.04955	18.3
95.08595	39.6
97.02884	12.6
97.06522	10.3
97.10170	4.4
98.20647	3.0
99.04447	6.3
99.08066	3.3
105.04488	1.8
105.07019	40.1
106.33466	1.8
107.04914	3.5
107.08579	32.6
109.02859	15.0
109.06525	5.4
109.10134	18.6
111.04428	8.6
111.08081	4.8
113.16272	1.5
115.05431	2.3
116.06248	1.8
116.92040	1.7
117.07004	15.9
119.08576	18.5
121.06534	2.9
121.10130	24.5
123.08119	3.5
123.11687	15.3
124.99986	2.6
125.09630	2.3
127.03884	8.1
129.05466	3.1
129.07043	5.4
131.08557	17.0
133.06462	1.9
133.10117	29.8
135.08046	4.4
135.11639	11.7
143.08560	6.1
145.06537	2.8
145.10089	13.7
147.08017	1.8
147.11687	12.4
149.09628	3.2
149.13232	14.4
151.11157	11.4
153.12717	1.5
155.08548	3.1
157.10089	8.5
159.07990	2.3
159.11665	16.6
161.09642	2.5
161.13268	4.6
163.11211	2.2
165.12717	3.1
169.10126	2.4
169.12173	2.0
171.06622	2.2
171.08157	2.3
171.11703	4.6
172.24443	1.7
173.04463	10.3
173.09499	2.1
173.13327	4.6
175.11165	3.3
175.14859	3.2
176.96225	1.7
177.12782	8.1
183.11819	1.9
183.13853	7.5
184.07365	14.8
185.13261	2.0
187.13284	17.4
187.14742	2.1
195.13818	6.5
199.14777	2.5
201.14871	5.5
211.13188	2.2
213.12729	2.7
243.15921	1.7
243.21182	1.5
257.17484	6.2
259.20557	2.5
261.22141	5.3
267.16000	1.9
269.17532	4.4
277.21677	2.7
283.18848	2.4
301.20828	1.8
317.24887	2.5
321.17050	2.6
335.25864	5.0
339.17984	9.6
349.27448	6.4
351.23309	4.5
369.24081	8.6
387.25488	2.8
395.20984	4.3
405.26651	2.3
427.23798	2.0
443.27725	4.2
461.29144	5.4
503.37363	5.5
517.38672	10.3
529.38531	2.7
561.41321	2.4
627.43402	2.2
655.42218	2.5
669.44592	2.1
673.43140	8.7
700.04187	1.8
705.45630	55.0
706.45801	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
55.01871	4.7
55.05513	33.3
57.03445	15.4
57.07053	2.7
59.04987	3.8
61.02936	4.1
63.01618	2.8
65.03954	5.0
67.05502	100.0
69.03423	30.6
69.07065	25.4
71.04999	20.8
71.08646	3.1
73.73132	3.0
74.75567	2.8
79.05053	4.2
79.05495	58.9
81.03416	52.4
81.07056	81.7
83.04981	14.3
83.08616	12.8
85.02925	14.6
85.06564	5.7
85.10204	3.3
87.04454	3.9
89.06030	11.5
91.04950	5.6
91.05482	61.5
92.20813	2.6
93.07039	73.0
95.04961	21.2
95.08602	54.1
97.02887	21.1
97.06535	10.7
97.10176	7.4
99.04475	11.0
102.81398	3.0
105.07040	42.8
107.04942	13.3
107.08590	40.8
109.02862	14.9
109.06522	10.5
109.10155	36.3
111.04456	13.9
111.08095	5.6
115.05427	4.6
117.07031	18.6
119.04908	3.2
119.08570	35.6
121.06506	7.4
121.10142	24.5
123.07986	4.4
123.11686	5.7
124.25494	3.4
125.06046	3.6
125.09645	7.3
127.03926	12.1
128.06230	3.5
129.05484	3.9
129.07008	13.2
131.08557	31.7
133.06488	5.9
133.08571	6.1
133.10120	31.7
135.08029	6.8
135.11691	19.1
137.09637	3.5
141.06984	6.2
143.08583	14.3
145.06461	6.1
145.10112	25.4
147.08038	8.5
147.11710	17.0
149.09627	10.4
149.13303	8.2
151.11252	5.8
155.08505	9.1
157.10101	12.9
157.41220	3.1
159.06828	3.2
159.08076	6.5
159.11650	16.2
161.09637	5.5
161.13272	6.3
163.11188	13.3
165.09169	4.0
167.08635	4.2
169.10110	8.9
171.11693	13.1
173.04474	5.3
173.09537	3.1
173.13255	10.3
175.14755	3.3
177.12866	4.7
181.10191	4.1
183.11710	4.7
184.07330	6.4
185.13242	8.6
187.11090	3.8
187.14828	6.8
195.11729	5.1
197.13312	4.1
199.11041	4.0
209.11716	31.8
209.13426	5.8
227.12828	8.4
227.16454	7.0
229.14305	5.0
229.58788	3.2
241.19521	4.0
261.22235	9.4
271.20636	4.1
283.15381	9.2
289.21643	5.4
291.23337	5.3
301.21640	4.2
335.25854	6.1
369.24091	6.7
391.25565	3.6
451.31970	7.2
469.33047	9.3
487.34393	7.1
501.35782	6.3
519.36865	9.4
525.35339	17.5
543.36810	78.9
561.37543	10.7
687.40808	13.9
705.42169	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01852	2.1
55.05507	19.5
57.03429	6.0
57.07082	2.5
59.17737	1.7
61.02920	17.3
65.03937	3.8
67.05497	31.5
69.03445	8.8
69.07055	11.2
71.04975	3.4
73.02911	5.7
79.05487	19.1
81.03411	11.3
81.07046	24.4
81.56348	1.7
83.04973	4.2
83.08616	10.9
85.02900	14.0
85.06562	2.8
88.07605	1.6
91.03947	5.8
91.05471	20.0
91.46280	1.8
93.07043	18.5
95.04940	10.4
95.08596	15.2
97.02882	9.9
97.06522	4.5
97.10159	10.1
98.21597	3.5
105.07036	15.5
107.04971	5.2
107.08578	12.5
109.06510	5.6
109.10136	10.6
111.08047	2.3
117.06987	12.2
119.08586	15.2
121.06503	4.3
121.10158	7.4
123.08089	5.4
123.11693	2.0
125.09596	8.3
127.03929	2.9
128.06262	3.2
129.06978	8.3
131.08559	15.5
133.06467	1.9
133.10118	11.2
135.08066	5.3
135.11670	4.6
137.09657	1.9
141.06917	2.3
143.08537	8.7
145.06479	2.5
145.10103	14.6
147.08049	2.5
147.11665	2.5
148.20366	1.6
149.09612	2.7
149.13239	3.0
155.08572	6.2
156.09312	1.9
157.10088	10.1
159.08063	5.0
159.11726	10.9
161.13258	2.5
163.11208	4.1
167.08543	3.5
169.10132	5.7
171.08096	1.8
171.11708	7.5
173.09636	3.8
173.13281	5.0
175.11154	2.3
181.10164	4.0
183.11682	5.7
185.09668	2.5
185.13263	6.0
187.11209	2.9
187.14711	2.3
189.11206	3.3
195.11679	2.6
197.13231	3.4
201.12671	2.2
209.13271	3.0
221.13281	2.5
227.12767	5.0
229.41893	2.2
299.23706	5.9
329.20831	1.7
331.22684	2.1
343.22974	2.2
421.25836	6.3
433.30743	5.5
435.27518	4.0
451.32062	6.7
469.32858	3.5
525.35724	22.6
543.36768	100.0
549.35626	1.9
569.24146	2.0
669.40027	1.9
687.40479	5.4
705.41425	11.1
714.74634	1.9
728.62622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05510	7.0
57.03441	1.7
57.07073	25.3
59.04987	0.9
61.02911	0.8
67.05220	1.1
67.05510	11.0
69.03406	3.1
69.07063	5.3
71.08632	27.3
71.59576	1.5
73.02918	0.9
73.06551	8.3
79.05499	8.0
81.03426	4.1
81.07054	7.4
83.04949	1.8
83.08627	4.4
85.02897	1.8
85.10177	20.9
87.04463	10.2
89.06031	100.0
91.05476	6.3
93.07042	7.0
95.04959	2.4
95.08587	5.2
97.02879	1.8
97.06507	0.9
97.10160	3.5
99.11700	2.5
105.07030	5.9
107.04965	1.4
107.07066	6.4
107.08595	4.4
109.06496	1.2
109.10147	2.7
111.04414	1.2
117.06991	2.5
117.09124	9.9
119.08595	3.7
121.10120	2.8
123.08031	1.1
127.03933	1.3
129.06990	2.0
130.08650	4.6
131.07011	3.6
131.08556	3.3
133.08600	51.8
133.10170	3.4
135.08112	1.0
135.11693	2.5
141.16354	4.8
143.08572	1.5
145.10091	2.6
147.11679	1.9
148.02614	0.8
155.08449	0.9
157.10129	2.4
159.11693	1.2
161.11682	1.4
169.10155	1.8
171.11720	1.4
173.13251	1.6
175.09593	2.7
177.11232	22.3
184.07263	1.5
185.18985	5.4
199.14919	0.9
221.13766	3.9
229.21637	8.8
273.24234	3.3
275.20197	1.7
283.17712	1.3
301.21732	1.3
312.84354	1.0
525.35931	1.3
543.36603	2.5
563.38965	2.6
581.78778	0.9
687.49713	1.4
704.40332	2.1
704.51276	2.5
705.41962	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05032	0.8
57.07065	0.3
58.06613	0.6
59.07380	0.2
59.78424	0.1
60.08156	7.0
62.01177	0.1
63.07749	0.1
65.54410	0.1
67.05479	0.4
69.07072	0.1
69.31704	0.2
69.32106	1.1
69.41286	0.1
71.04954	0.2
71.07366	4.1
71.08607	0.2
79.05489	0.2
80.97422	0.1
81.03434	0.1
81.07024	0.4
86.09695	35.5
87.09996	0.3
91.05474	0.2
93.07033	0.4
95.08602	0.3
96.64367	0.2
98.98453	3.3
104.10733	3.0
107.08544	0.2
117.07008	0.2
119.08601	0.1
124.99989	22.8
143.01013	0.7
163.11064	0.2
166.02585	0.2
184.07318	100.0
185.07678	0.7
225.67688	0.1
475.28586	0.1
496.33810	0.3
521.38116	0.2
640.02075	0.1
704.44849	12.6
705.45441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04527	0.4
56.96535	0.4
58.06573	1.5
59.24652	0.3
63.02350	0.8
65.55319	0.4
67.05488	0.6
69.03400	0.8
69.07044	1.7
69.28302	3.9
70.06570	0.7
71.04964	0.4
72.08145	2.0
73.02877	0.6
78.04712	0.4
79.01796	0.4
79.05488	0.9
81.03400	0.8
81.07047	2.3
84.08126	6.5
85.02877	1.1
85.06530	1.0
89.03897	8.0
91.05451	1.0
93.07019	0.7
95.04960	0.6
95.08581	1.4
97.02868	0.7
97.06498	0.6
98.09639	0.6
99.08073	0.5
104.42220	0.3
105.07003	0.9
107.04900	1.2
107.08575	0.8
109.02887	0.6
109.10157	1.2
110.07119	0.4
110.09665	0.9
111.11686	0.9
112.08025	0.3
112.11229	20.2
113.07032	0.3
117.03360	18.8
119.04903	0.5
121.10168	0.5
123.11674	0.5
129.13858	18.3
134.03595	1.4
135.04402	10.4
139.11185	0.8
145.02820	53.0
146.03163	0.7
146.99670	0.5
147.04381	2.4
147.11591	0.4
149.05960	5.2
153.01837	2.5
155.11798	3.7
158.06007	0.7
158.99637	0.4
161.05954	0.4
163.03880	88.5
163.14795	0.8
164.04221	1.3
175.03912	0.7
176.07018	0.7
177.05441	55.0
178.05798	1.4
186.05505	1.4
203.17903	0.8
207.06522	0.9
218.10471	0.5
219.11324	6.1
220.09653	77.7
221.09966	1.4
221.19054	0.7
229.20230	0.4
233.12856	1.5
234.11206	29.4
235.11674	0.8
239.19910	1.8
248.12955	0.5
257.21118	2.0
291.16992	20.1
292.17252	0.5
305.18536	8.2
307.26407	0.7
365.25684	0.6
379.26779	0.5
391.23450	0.6
467.21753	1.0
509.27594	3.0
523.29150	2.4
527.28503	5.3
534.70374	0.4
538.29626	0.7
541.30121	14.4
541.38458	0.8
542.30316	0.6
635.81708	0.4
703.33246	100.0
704.33716	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	703.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02369	0.7
53.00289	0.2
53.03931	0.2
55.01847	0.2
56.96561	0.1
57.07069	2.0
62.01568	0.1
66.48827	0.1
68.99763	0.1
69.03432	0.4
70.79238	0.4
71.04974	0.3
79.01849	5.9
81.03395	0.5
81.07055	0.3
85.02898	0.5
85.06538	2.1
91.05465	0.2
93.07045	0.2
97.02887	1.0
107.01309	1.2
107.08544	0.2
107.17819	0.1
109.02856	0.6
123.00773	0.2
125.02335	4.2
125.03254	0.2
127.03902	5.0
131.04875	0.2
137.05977	0.2
143.03381	10.0
145.02896	0.2
153.01814	100.0
153.02786	3.9
154.02156	0.8
159.04398	0.3
163.03935	0.2
175.07484	0.2
177.05440	0.3
177.09256	0.1
205.04965	0.7
211.09608	0.8
226.98427	0.1
233.04404	1.2
261.03970	1.4
279.04987	0.9
360.30707	0.1
390.33191	0.1
503.73318	0.1
541.29315	0.3
702.49677	0.2
703.34741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01868	0.6
55.05504	6.0
57.03423	2.6
57.07064	8.9
67.05491	9.9
69.03419	1.2
69.07056	2.6
71.08626	4.6
71.59251	0.7
73.02905	1.8
79.05486	4.8
81.07046	9.2
83.08608	5.8
85.10157	2.1
86.09669	0.5
87.04449	1.9
89.06020	16.6
91.05448	1.8
93.07031	5.2
95.04926	0.6
95.08593	7.7
97.10160	8.7
105.06999	1.9
107.07024	1.7
107.08595	5.1
109.10129	4.1
117.06985	0.9
119.08581	1.5
121.10120	2.6
123.11723	1.1
125.09615	8.8
131.08546	1.6
133.08582	9.4
133.10074	1.1
135.08041	1.2
135.11638	1.6
143.10631	0.7
147.11716	0.6
149.13223	0.7
153.09061	0.8
159.11661	0.6
173.13174	0.7
177.11191	3.4
178.67726	0.5
184.07350	2.4
189.11200	6.4
227.12740	11.0
227.20023	100.0
243.21039	0.9
245.13817	16.6
261.22095	3.8
271.22659	1.2
277.41010	0.6
279.23145	0.6
317.24658	0.7
335.25742	14.2
359.27899	0.7
417.26889	0.5
468.37436	1.0
487.34134	1.0
505.35098	10.2
510.73996	0.5
685.46796	0.6
702.49518	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97953	2.0
53.03937	2.9
55.01877	5.0
55.05506	41.4
57.03440	13.7
57.07071	4.6
60.08144	2.3
61.02923	4.0
66.33154	1.9
67.05501	47.7
69.03404	6.2
69.07071	13.8
69.58081	14.0
71.08611	3.4
72.31596	2.0
75.26035	2.3
79.05492	31.9
80.06825	2.3
81.03404	5.9
81.07047	49.0
83.00777	1.9
83.04996	3.1
83.08621	27.4
85.02908	4.8
85.06482	2.1
86.09708	12.0
89.06012	2.6
91.05461	14.4
93.07046	27.8
95.04945	5.4
95.08595	29.0
97.09528	3.8
97.10162	55.6
98.20815	4.0
98.98402	1.9
101.90372	1.9
104.44450	1.9
105.07026	10.9
107.08571	28.5
109.10164	16.2
111.08071	3.7
117.06956	3.6
119.08565	9.9
121.10129	9.7
123.11704	4.5
125.00021	6.2
125.09619	51.3
131.08575	7.3
133.08601	2.1
133.10107	4.7
135.08078	6.6
135.11676	8.3
143.10713	2.8
145.10086	3.6
147.11662	4.3
149.13263	4.9
151.73897	2.1
159.11734	2.9
161.13237	3.4
162.07538	2.1
163.14853	3.5
171.10258	2.8
173.13318	2.4
184.07321	40.3
187.14832	2.8
189.11243	46.0
199.67618	2.2
227.12767	77.5
227.19992	11.9
243.21103	8.0
245.11263	4.7
245.13823	100.0
261.22116	21.2
317.24875	4.4
335.25803	73.3
335.29901	4.1
353.27042	2.8
370.41312	2.2
431.31030	2.5
487.34091	6.5
505.35187	43.4
529.38867	18.8
529.92267	2.3
702.27588	5.0
702.48590	6.9
703.41168	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	701.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59508	4.9
53.03938	12.8
55.01853	7.2
55.05498	34.7
55.78729	5.4
57.03418	18.8
57.07071	6.8
61.02913	15.6
62.05630	4.4
67.05496	55.9
69.03413	38.3
69.07046	22.2
70.72694	13.8
71.04981	14.2
73.02892	10.2
79.05482	52.7
81.03403	47.4
81.07044	55.0
83.04955	16.3
83.08594	13.9
85.02896	26.0
90.28824	4.4
91.03927	5.3
91.05473	58.2
93.07021	57.7
95.04951	19.6
95.08582	34.7
97.02872	28.5
97.06535	4.7
97.10170	5.8
99.04409	8.4
101.02334	5.4
105.07012	46.6
107.04954	5.6
107.08562	27.5
109.02862	11.4
109.06500	5.1
109.10157	7.6
117.07001	25.1
119.08569	35.2
121.10102	16.6
127.03893	7.8
128.06184	11.8
129.05450	9.3
129.06982	21.7
131.08551	32.2
133.10115	17.5
135.11719	10.0
141.06935	12.6
143.08548	28.6
145.06497	5.4
145.10097	21.9
147.08034	8.0
147.11676	19.6
155.08507	20.9
156.09235	5.9
157.10121	13.9
159.08026	7.6
159.11644	16.8
161.13271	5.3
167.08536	14.5
169.10071	27.4
171.11661	22.6
172.95183	7.4
173.04408	18.9
173.13229	10.6
177.20764	4.6
181.10098	15.5
183.11649	15.9
185.13188	11.1
193.10156	7.8
195.11687	15.0
197.13232	21.6
199.06120	5.6
199.14908	6.1
207.11737	6.5
207.13690	9.3
209.13220	12.8
211.14728	7.4
219.11621	5.5
221.13210	7.0
223.14717	11.3
246.98862	6.1
259.20599	6.2
281.17404	12.1
333.24844	7.5
343.22260	4.6
403.38260	5.4
447.32468	17.5
449.89288	5.1
465.33475	9.2
521.36279	6.7
539.30554	6.9
539.37384	100.0
557.37988	9.2
647.38837	9.5
665.39716	14.3
683.40784	6.3
701.41681	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55578	0.5
55.05503	1.3
56.02588	0.5
61.02928	0.8
61.30117	0.5
64.21905	0.5
67.05503	2.6
67.41964	0.5
69.03428	1.0
69.07076	0.6
69.86171	2.3
71.02148	0.5
79.05480	2.3
81.03406	1.4
81.07044	1.8
83.04935	0.6
85.02915	0.6
91.05480	2.0
93.07025	1.6
95.04963	0.8
95.08609	1.5
97.02887	1.0
98.20862	0.5
99.04459	0.5
105.07023	1.4
109.10159	0.8
116.57101	0.5
117.06987	0.6
127.51260	0.5
129.06969	1.2
131.08566	1.4
143.08531	1.0
145.10127	0.9
147.11713	0.7
155.08627	0.7
159.08133	0.5
159.11754	0.6
160.69882	0.5
161.13306	0.6
169.10143	0.8
171.11671	0.7
185.13210	0.5
190.09639	2.4
191.09946	0.6
203.05302	1.2
209.13303	1.0
259.07980	1.1
333.17325	0.9
339.23453	0.6
347.09494	1.4
351.18451	0.7
365.10547	3.0
421.13260	0.6
447.32541	0.9
539.31665	16.0
701.37067	100.0
702.37756	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	701.3534
Annotation	Keayanine
Peak:m/z	Relative Intensity
53.46446	0.4
57.03429	0.4
58.06570	1.2
60.95848	0.4
63.02353	0.5
64.51134	0.4
65.03909	1.0
66.84782	0.4
67.05488	0.4
69.07043	0.7
69.78076	2.0
70.06549	0.5
71.04978	0.7
72.08165	1.8
81.93682	0.4
84.08138	6.3
85.02880	0.9
89.03394	0.5
89.03899	5.4
91.04963	0.6
91.05474	8.5
93.07014	0.9
95.04923	0.5
95.08545	0.6
98.09675	0.6
109.10176	0.3
110.09649	0.6
112.11229	18.3
113.07142	0.4
117.03362	16.3
119.04089	0.8
119.04923	16.5
119.05769	0.9
129.05476	0.4
129.13857	17.2
134.03592	1.1
135.04410	1.6
137.05940	1.0
144.04594	0.4
145.02824	54.6
146.03201	0.5
147.04390	37.2
149.05965	4.4
155.11758	5.0
161.05933	0.4
162.03017	0.5
163.03841	0.9
175.03964	0.7
176.07051	1.0
177.05444	100.0
178.05827	1.2
186.05444	1.0
192.35223	0.4
200.76184	0.4
203.11839	0.4
204.10167	4.3
207.06505	0.8
218.10248	0.5
218.12073	0.5
219.08878	1.3
220.09644	0.5
233.12810	7.0
234.11215	81.7
235.11597	1.0
275.17636	1.8
287.05487	1.0
305.18555	22.4
324.26358	0.4
349.25967	0.8
361.02255	0.6
379.26917	0.8
421.97845	0.4
451.22113	1.0
506.99136	0.5
507.29404	0.9
525.30627	7.3
526.31525	0.5
537.30920	4.2
555.31702	11.5
684.31421	0.5
701.35406	86.8
701.48218	5.5
702.35626	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	697.3758
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03921	0.2
55.01859	0.5
55.05504	1.0
57.03421	1.4
61.02923	3.8
64.77450	0.2
67.05496	5.1
69.03418	1.9
69.07067	0.9
71.04988	2.5
73.02907	2.7
74.94661	0.3
78.92572	0.3
79.05478	1.9
81.03408	1.1
81.07050	5.4
83.04965	0.5
83.08611	1.0
85.02894	3.3
85.06518	0.5
90.94832	0.3
91.03954	2.6
91.05473	2.3
92.70964	0.3
93.07039	3.4
95.04958	0.8
95.08588	1.3
97.02884	3.4
97.06524	0.9
98.20672	0.6
99.04453	0.8
99.08082	0.3
101.02374	1.4
103.03951	0.3
105.07039	1.3
107.08584	1.9
109.02852	0.3
109.10170	0.9
111.08099	0.6
117.07021	0.7
121.10140	1.1
123.11724	0.6
127.03917	1.1
131.08572	0.7
133.10139	2.0
135.08009	0.3
135.11673	0.8
149.13226	1.6
151.11189	0.5
159.11702	0.8
177.12746	0.4
183.13808	0.5
185.04271	0.4
187.13315	0.3
195.13789	0.6
229.05266	0.7
235.13113	1.1
243.08377	1.8
257.17566	0.6
267.06766	0.6
267.15778	0.7
269.17551	0.4
285.07745	1.5
291.15567	0.3
308.09479	0.5
341.10474	0.5
413.17886	0.6
453.20923	8.0
485.23691	6.3
535.32684	0.4
567.31335	1.3
596.31683	0.3
625.31885	5.5
697.37616	100.0
698.38062	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	697.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13590	0.8
53.03958	1.2
55.01883	1.1
55.05512	1.2
57.03458	2.8
61.02921	6.9
65.04004	0.8
67.05496	10.1
69.03458	3.1
69.07095	1.4
70.21202	3.4
71.05018	0.8
73.02917	5.3
73.95552	0.7
79.05517	2.4
79.49615	0.7
81.03442	2.2
81.07049	5.0
83.01086	1.0
83.08642	1.8
85.02894	6.0
91.03956	4.8
91.05522	2.7
93.07076	3.0
95.08627	1.8
97.02883	6.3
97.06588	0.7
99.04472	1.3
101.02425	2.1
107.08641	2.4
109.02927	1.5
109.10140	8.7
119.08632	1.8
123.04258	1.4
124.33958	0.6
127.03955	2.0
130.70073	0.8
131.08617	1.5
137.09653	0.8
140.87524	0.7
149.13148	0.7
155.10651	0.8
156.03784	0.7
160.95490	0.7
173.11739	4.3
185.04295	2.6
189.72339	0.7
195.10036	1.2
201.03723	1.4
201.07954	0.7
207.71962	0.9
221.11565	1.0
229.14447	1.9
235.13173	1.1
243.08412	4.2
251.12683	1.0
301.08929	6.3
315.10544	2.1
317.18271	0.8
329.12161	1.0
354.32434	0.8
358.16650	1.3
358.66754	2.2
369.15237	1.5
371.16705	4.3
373.11084	3.5
385.18564	2.8
387.12421	1.1
389.26556	1.5
413.17819	22.8
425.21548	3.1
429.17490	1.2
453.20953	5.8
463.26608	1.6
469.20798	1.3
483.22174	1.3
484.22681	1.5
485.19888	6.8
497.24173	1.1
499.21384	2.1
514.67841	0.9
516.21753	1.8
527.24054	1.2
541.26227	5.0
553.30090	1.8
567.31470	23.6
568.32318	1.9
596.31555	7.4
597.32080	1.2
623.34314	1.2
625.31885	100.0
626.32245	3.2
628.30939	7.8
651.33356	8.6
653.35107	1.0
669.34027	1.5
697.33929	38.3
698.34033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05508	17.0
57.03432	6.6
57.07069	10.3
61.02921	21.1
62.48450	1.7
63.58844	1.6
67.05501	68.5
67.05868	3.4
67.22014	1.7
69.03412	5.7
69.07068	24.2
71.04966	2.0
71.08625	6.5
71.48578	3.2
71.83609	1.8
73.02912	11.4
75.04461	2.0
79.05485	20.0
79.05910	2.3
81.03374	2.5
81.07050	91.3
83.08610	20.4
85.02900	29.2
85.06513	2.4
85.10184	2.1
91.03951	24.5
91.05491	16.1
93.07032	23.0
95.08601	83.2
95.32848	1.6
97.02901	15.8
97.06538	7.7
97.10139	15.0
98.29152	1.8
99.08083	3.7
105.07022	11.6
107.08584	15.4
109.10151	39.1
110.60443	1.9
111.08080	4.7
111.11731	5.8
115.03911	2.0
119.08569	15.7
121.10145	22.3
123.11694	20.2
127.03902	9.1
133.10150	15.2
135.11705	13.1
137.09627	2.9
137.13255	8.2
141.12750	4.1
145.04904	12.4
147.11670	14.0
149.13280	9.3
151.14815	6.8
155.14253	3.3
156.06741	2.3
161.13235	15.4
163.06006	16.5
163.14841	10.0
165.16403	8.4
175.14757	11.7
177.16403	2.5
179.18010	8.3
182.70421	2.0
182.82820	2.3
189.16342	8.8
245.22638	61.2
263.23694	100.0
264.24057	2.6
281.24796	1.8
337.27325	67.7
355.28323	11.4
499.32425	4.0
509.60001	2.3
659.08112	2.1
696.36102	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	695.403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.5
56.96812	0.5
64.09318	0.3
65.77269	0.3
67.05465	0.7
69.07024	0.3
70.34280	0.6
70.34680	0.7
71.95210	1.2
72.08545	0.3
74.97571	0.7
79.05432	1.4
79.05856	0.3
81.03378	0.4
81.07008	0.4
84.95991	0.5
85.02843	0.4
86.09624	0.4
93.07001	0.8
95.08540	0.4
97.96793	0.4
98.97533	0.5
105.06995	0.6
107.08551	0.3
110.97543	0.9
111.98383	0.3
115.00645	0.3
116.98596	0.4
121.01668	0.4
128.98589	2.4
129.99355	0.7
131.00119	0.4
133.01671	0.8
134.99623	0.5
143.00117	0.5
146.99626	3.4
147.03256	0.4
148.00417	2.4
155.03720	0.4
158.30896	0.3
158.90103	0.3
160.00369	1.0
161.01186	1.2
161.04822	0.4
165.00671	0.9
166.01393	0.5
169.05347	0.4
171.03265	1.2
173.01131	0.4
173.04803	1.0
181.05351	1.0
183.06914	0.6
184.04082	0.7
184.07321	0.7
185.04897	1.6
185.08446	0.3
186.01883	0.4
187.02744	0.7
187.06477	0.4
189.04314	2.4
191.05898	0.6
193.03760	0.3
195.06857	0.6
197.01152	1.5
197.04823	0.8
199.02769	0.4
199.06396	6.6
201.00670	1.1
201.04236	0.8
201.08002	2.8
202.05049	1.0
203.02219	0.5
203.05875	2.9
203.09525	0.7
204.02925	0.7
204.08522	0.3
211.06354	4.5
213.07930	1.5
215.02298	4.2
215.05824	1.1
217.07465	14.7
218.04466	0.4
219.05295	0.3
219.09044	2.7
221.04976	0.4
221.06938	0.9
222.07957	0.4
223.02776	0.6
223.06372	0.8
223.08385	0.5
225.04323	0.6
225.07956	0.7
227.05879	1.0
228.06564	0.5
229.07462	50.9
230.07919	0.7
231.09113	1.7
235.08516	0.7
238.03912	0.4
239.05920	2.6
240.06624	1.2
240.09039	0.7
241.07452	4.3
243.05350	0.4
243.08990	3.8
244.06142	0.7
245.06978	0.8
247.08524	53.4
248.09023	0.6
252.09050	4.3
255.09039	0.6
257.06964	7.2
257.09955	0.4
257.10684	0.3
258.07767	6.4
259.08536	7.6
261.10046	3.6
266.10715	0.5
270.10077	2.2
272.05786	0.6
275.08020	2.5
276.08792	4.4
277.09470	1.7
279.09100	0.4
280.09827	0.9
281.09631	0.4
282.10001	0.4
290.06656	0.6
298.10938	0.8
307.15668	0.8
313.14771	0.8
331.15781	10.2
349.12390	0.5
349.13715	0.3
349.16833	15.7
367.17880	74.1
368.18280	1.7
372.18439	1.3
384.20773	0.4
385.18945	100.0
386.19153	2.2
387.19183	0.5
390.19577	0.5
403.19940	0.7
408.20557	16.2
409.20782	1.0
462.29529	0.4
497.32248	1.2
515.33594	1.1
695.40442	30.5
696.40924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12690	1.6
52.55166	1.6
55.05499	7.0
57.03417	6.6
57.07047	2.1
61.02634	2.4
61.02924	25.2
64.60990	1.8
65.03921	3.3
67.05498	55.5
69.03399	3.8
69.07059	10.8
71.04984	3.0
71.59475	1.9
71.59869	2.4
73.02902	7.6
76.61880	2.1
79.05483	28.0
81.03380	1.9
81.07048	67.9
83.08604	4.6
85.02898	33.6
85.06489	2.2
86.09713	1.9
91.03951	26.7
91.05469	17.9
93.07036	40.5
95.08595	51.8
97.02887	13.1
97.10153	3.8
99.08079	2.5
105.07017	14.9
107.08573	26.6
109.10143	33.2
115.03881	2.5
117.07002	7.1
119.08582	11.9
121.10126	30.4
123.11685	15.4
127.03895	12.1
131.08546	14.3
133.10110	11.9
135.11679	27.1
137.13251	5.8
142.31815	1.7
145.04929	13.5
145.10098	11.2
147.11691	10.3
149.13254	16.4
151.14729	3.2
159.11691	11.1
161.13263	12.5
163.06007	14.9
163.14792	11.5
165.12715	2.6
173.13243	16.1
175.14735	3.4
177.16374	7.2
179.14192	3.7
184.07274	2.4
187.14810	6.6
188.94093	2.1
189.60191	1.8
191.14314	3.3
201.16342	3.3
215.17914	2.5
219.17720	2.4
233.22684	2.9
243.21082	31.1
261.22125	100.0
279.23190	4.8
317.24490	2.1
335.25772	33.2
353.26828	52.3
443.83008	2.4
446.69528	2.2
497.30853	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	692.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05508	16.3
57.01409	0.4
57.03434	9.2
57.07070	3.0
58.24363	0.6
59.04996	1.7
61.02921	4.3
64.01704	0.5
65.03951	2.8
67.05502	74.7
68.05827	0.8
69.03424	2.2
69.07066	16.4
69.07452	0.8
71.01357	1.2
71.04990	17.8
73.02911	1.4
73.06544	0.7
79.05487	31.0
81.03415	4.8
81.07053	100.0
82.07406	0.9
83.04978	6.2
83.08614	13.4
85.02904	5.6
85.06538	8.4
85.07011	0.8
87.04459	1.3
91.03961	1.6
91.05476	25.0
92.05818	0.6
93.07040	41.9
94.07363	0.7
95.04964	6.3
95.08604	18.3
97.02906	3.0
97.06525	8.8
97.10154	3.1
99.08107	2.3
105.07031	10.3
107.02000	0.5
107.04995	1.1
107.08589	28.0
109.06516	2.7
109.10150	14.1
111.04421	0.5
111.08067	7.1
113.06018	0.9
113.09654	1.1
117.07030	7.3
117.09217	0.5
119.08593	3.5
121.06538	1.2
121.10139	14.3
122.39481	0.5
123.08026	0.8
123.11694	10.0
123.12564	0.7
125.09616	3.0
127.07528	0.5
129.05476	1.3
129.06990	0.9
131.08565	7.4
133.10123	15.4
135.08051	1.8
135.11682	6.1
137.09644	1.2
139.11223	1.3
143.10681	0.5
145.10112	1.2
147.11693	2.4
149.09645	0.5
149.13249	23.5
150.13626	0.6
151.11171	5.9
153.12766	1.3
155.10645	0.5
157.10092	0.7
159.11684	11.0
163.11206	1.8
165.12807	1.0
167.14288	0.8
169.12192	1.1
173.11708	3.4
177.12737	4.3
181.12367	0.7
183.13853	1.3
187.13255	2.8
193.12326	1.2
195.13805	7.8
199.13289	1.2
209.11743	1.1
211.13228	0.7
213.14934	1.8
225.14745	1.1
227.12823	1.1
229.14362	9.4
229.21088	0.6
231.59331	0.5
246.38289	0.5
251.16684	0.7
257.17554	1.4
267.15976	1.7
269.17456	27.7
283.15359	0.7
301.16516	2.9
301.20111	6.7
411.27341	1.3
419.28134	0.7
423.27481	6.2
431.28741	0.5
437.28983	41.7
438.29327	0.6
451.30524	8.2
452.31604	0.5
463.30533	95.5
464.30670	3.7
495.33554	28.4
496.33853	0.9
513.30536	2.4
514.93799	0.6
607.34894	0.7
639.37256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23494	1.4
53.03940	3.3
55.01868	3.5
55.05507	16.1
57.03443	14.6
60.33065	1.2
61.02923	4.4
65.03929	1.7
67.05502	24.4
67.05829	2.4
68.80220	1.1
69.03431	5.5
69.07069	8.5
69.74600	6.1
69.75014	3.1
70.06583	2.3
71.04992	5.3
79.05492	24.0
81.03417	69.9
81.07054	29.9
83.04977	17.4
83.08615	27.6
85.02905	31.8
85.06547	3.7
86.09705	2.1
91.03929	1.7
91.05476	37.0
93.07044	20.9
95.04969	31.7
95.08607	13.1
97.02883	5.8
97.06535	4.5
97.10174	4.2
98.20802	1.5
99.08085	2.1
105.07029	25.2
107.04967	7.0
107.08623	7.5
109.06532	6.5
109.10159	4.7
111.04427	4.9
111.08077	11.5
113.06034	3.8
115.05511	2.5
117.07037	2.5
119.04951	3.1
119.08579	20.6
121.06522	2.4
121.10142	10.5
123.08073	4.7
123.11694	2.3
125.09599	1.8
129.06990	12.4
131.08554	13.7
133.06519	4.3
133.10129	15.4
137.09592	1.9
142.07831	2.7
143.08551	1.5
145.02989	1.6
145.10146	2.9
147.08099	3.5
147.11682	15.5
149.09625	8.9
151.11168	1.5
153.01846	3.5
157.10132	19.9
165.12785	3.5
175.03835	1.4
175.11163	20.8
193.12239	66.7
211.13290	100.0
249.14909	2.7
267.15912	40.5
276.77567	1.3
285.16953	95.8
291.91113	1.3
354.69324	1.3
367.22775	4.4
385.23688	5.0
403.24890	2.0
433.25909	2.0
441.26373	1.8
459.27496	24.3
477.28491	28.3
495.29538	81.4
594.00549	1.5
692.40076	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	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69425	2.3
50.88954	2.4
53.03932	4.3
55.01867	6.7
55.05506	33.0
57.03422	14.1
57.07076	3.2
59.04991	4.2
60.08162	2.6
60.23640	2.3
61.02939	6.5
61.93728	2.4
65.18443	2.5
67.05496	100.0
69.03425	3.3
69.07058	20.2
71.04975	6.7
73.02905	2.6
79.05482	38.2
81.03418	9.5
81.07050	67.8
82.10415	2.6
83.04993	12.4
83.08600	19.4
85.02885	18.2
85.06551	3.3
86.09730	6.4
87.04448	5.7
91.03948	2.8
91.05473	27.0
93.07027	40.7
95.04964	8.0
95.08605	19.4
97.02856	3.4
97.06523	9.5
97.10139	15.7
98.21606	4.3
104.10744	10.6
105.07035	13.5
105.92779	2.6
106.47869	2.4
107.04948	5.1
107.08587	24.7
109.06496	3.6
109.10153	37.8
111.08090	5.5
113.85163	2.8
115.05450	2.9
117.07016	8.4
119.08591	8.8
121.06518	3.4
121.10139	10.3
123.08042	3.4
123.11703	5.0
125.09605	17.9
129.05443	5.6
130.78864	3.0
131.08553	6.6
133.10127	12.6
135.11700	7.2
141.22400	3.1
145.10118	6.0
147.08049	2.7
147.11681	6.1
149.13216	14.8
153.12688	4.7
155.10634	2.7
159.11691	9.1
163.11200	11.2
165.12610	3.5
173.11671	13.1
184.07335	7.8
191.10754	3.3
193.12260	6.0
195.13745	16.2
199.13289	8.8
209.11708	6.3
211.13348	4.3
213.14806	4.7
227.12772	8.1
229.14320	53.9
230.58240	4.0
239.16412	4.5
267.15945	10.4
269.14697	2.4
269.17453	63.2
274.31198	3.4
283.15320	5.1
301.16354	19.5
411.27017	3.8
423.27390	41.6
495.29526	67.6
513.30524	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	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.5
54.96550	1.5
55.01851	6.1
55.05256	2.7
55.05504	33.3
57.03425	19.5
57.07056	3.5
57.93562	1.3
59.04988	4.1
61.02910	6.8
65.03944	3.4
67.05499	100.0
69.03402	5.3
69.07062	20.3
71.01342	2.7
71.04970	5.9
71.42215	2.6
73.02889	5.8
79.05058	2.9
79.05491	41.9
79.19735	1.4
79.46272	1.4
81.03416	11.0
81.07053	77.0
83.04975	11.8
83.08613	21.1
85.02895	15.1
85.06539	4.4
87.04456	4.8
91.03928	4.3
91.05470	29.1
93.06467	3.0
93.07037	48.4
95.04958	11.3
95.08601	25.1
97.02873	7.0
97.06510	9.9
97.10151	17.1
99.04444	1.7
99.08083	2.6
103.47530	1.4
105.07018	14.2
105.57703	1.6
107.04971	4.0
107.08585	25.3
109.06503	2.8
109.10143	49.1
111.04423	2.4
111.08058	5.4
113.06041	2.3
115.63134	1.5
116.04656	2.0
117.07048	10.2
117.54045	1.7
119.08587	10.6
119.09303	1.8
121.06444	3.6
121.10136	9.4
123.08047	3.0
123.11656	4.3
125.09618	14.9
126.04659	1.5
129.05452	5.7
129.06931	2.5
131.08563	9.4
133.10124	16.9
135.11679	10.1
137.09528	2.4
143.10655	1.7
145.10121	5.3
147.11667	4.9
148.47916	1.5
149.09639	2.1
149.13272	15.9
151.11147	1.8
153.12730	3.0
155.10678	2.8
155.31541	1.5
159.11681	10.6
163.11137	7.9
173.09477	2.1
173.11726	16.8
177.12762	6.5
181.12190	1.9
191.10669	3.1
193.12263	3.7
195.13786	20.1
199.13260	8.0
209.11676	8.6
211.13234	1.8
213.14728	3.0
227.12767	5.0
229.14317	53.8
239.16478	2.2
257.13809	4.0
267.15857	8.2
269.17456	72.4
283.15314	4.8
301.16476	16.7
308.49030	1.9
393.26273	2.9
402.27213	1.5
411.27521	7.3
423.27359	43.3
431.27606	2.4
466.65149	1.6
477.28326	3.0
495.29529	64.8
497.55106	1.9
513.30560	26.3
531.89313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03944	9.4
55.01858	3.0
55.05261	1.5
55.05508	24.7
57.03432	9.0
57.07060	3.4
57.42496	0.9
60.70833	1.0
61.59166	1.0
65.03923	4.8
67.05497	78.2
67.53743	1.1
69.03419	32.0
69.07060	21.7
71.01343	1.4
71.04974	11.0
72.09955	1.2
73.02891	2.1
77.03902	1.7
79.05484	53.9
81.03409	60.1
81.07047	100.0
83.04972	20.6
83.08615	10.3
85.02897	11.0
85.06523	7.7
87.04452	1.7
91.05467	45.7
93.07033	60.6
94.07373	1.0
95.04958	16.8
95.08597	34.9
97.02877	21.2
97.06522	9.4
97.10152	4.1
99.04443	8.8
99.08080	2.8
103.03923	1.5
105.04542	1.1
105.07026	29.6
107.04947	3.6
107.08583	31.5
109.02859	8.8
109.06506	5.4
109.10136	13.9
111.04444	9.1
111.08067	4.2
111.11690	1.6
115.03925	1.0
115.05429	1.3
117.07003	13.7
119.08562	17.6
121.06505	1.8
121.10126	23.5
123.08048	2.4
123.11688	9.7
125.09612	1.7
127.03895	11.6
128.06163	2.6
129.05464	10.2
129.06947	5.5
130.07805	1.1
131.08556	15.6
133.06458	1.9
133.10109	18.2
135.08025	2.4
135.11668	16.3
137.13101	1.8
139.11166	2.5
141.06947	2.1
143.08546	5.6
145.06448	1.4
145.10106	8.5
147.11690	13.0
149.09595	2.2
149.13235	21.7
151.11174	2.1
155.08554	2.0
157.10110	4.9
159.08037	2.1
159.11665	20.5
161.09618	1.2
161.13239	5.2
163.11244	1.4
163.14806	1.9
165.12735	2.2
169.10104	2.1
171.06454	2.4
171.11679	3.3
173.04440	27.7
173.09682	2.6
173.13240	4.6
175.11214	2.1
177.12714	13.1
183.11583	2.1
185.13283	2.1
187.11392	1.2
187.13263	4.1
187.14838	2.4
193.12193	1.9
195.12064	2.2
195.13780	12.7
197.13194	2.1
211.11182	1.2
213.14833	2.6
227.12646	1.4
243.15910	4.7
259.20480	1.5
261.14478	1.1
261.22125	6.5
267.15976	2.2
269.17389	9.8
303.15710	1.4
317.24567	1.3
318.87747	1.2
335.25742	18.5
337.27115	1.7
339.17996	6.1
351.23212	2.1
369.24234	4.0
383.66580	1.4
387.25049	1.3
405.26227	1.3
413.21838	10.1
503.37259	30.1
519.36969	1.5
529.38904	10.7
547.39832	3.4
655.40894	1.6
673.42957	6.4
691.44006	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
53.41913	0.2
54.53413	0.3
55.01859	0.4
55.05499	1.1
57.03436	1.8
61.02918	4.4
67.05496	8.5
69.03419	2.9
69.07063	1.1
71.01324	0.3
71.04981	0.6
73.02910	3.2
76.02197	0.2
79.05474	2.2
81.03403	1.9
81.07051	4.2
83.04983	0.6
83.08611	1.1
85.02897	4.8
85.06536	0.4
87.04456	0.4
91.03944	3.6
91.05461	1.8
92.30196	0.2
93.07043	2.7
95.04927	0.3
95.08601	2.1
97.02878	4.3
98.21564	0.3
99.04467	0.8
101.02364	1.5
103.03915	0.4
105.07021	1.1
107.04897	0.2
107.08580	1.8
109.02866	0.9
109.10145	7.2
109.20918	0.3
111.08071	0.6
115.03920	0.4
117.07006	0.3
119.08588	1.2
121.10166	1.2
123.11745	0.4
127.03905	2.0
129.05460	0.4
131.08580	0.5
133.10127	0.6
135.11697	0.6
136.16190	0.3
137.09619	0.4
145.04984	0.3
145.10120	0.5
149.13289	0.3
155.10603	0.4
173.11731	1.8
184.07372	0.4
185.04256	0.7
195.09943	0.6
203.05278	0.5
214.63155	0.3
229.14401	0.8
243.08351	2.0
295.60971	0.3
335.25815	0.7
413.17770	10.6
413.23041	0.5
419.32831	0.3
519.29279	4.2
519.36865	0.8
638.61292	0.3
662.05634	0.3
691.40167	100.0
692.40186	1.4
694.92139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.8
53.03932	10.2
55.01859	5.1
55.05253	2.1
55.05502	25.3
57.03446	8.1
57.07071	3.3
59.04995	1.4
65.03928	4.3
67.05495	75.1
68.05808	2.1
69.03076	1.9
69.03422	28.0
69.07057	19.2
69.24188	1.5
71.04980	10.3
71.59698	2.3
73.02898	3.1
73.06557	1.3
79.05484	56.1
81.03410	57.8
81.07047	100.0
83.04478	1.7
83.04967	21.1
83.08602	11.3
85.02885	9.2
85.06522	7.4
87.04426	1.6
91.04892	2.2
91.05469	43.0
92.05796	1.5
93.07028	69.4
95.04943	12.3
95.08593	40.6
97.02885	19.8
97.06518	9.6
97.10139	4.0
98.98433	1.8
99.04443	9.9
99.08050	2.7
101.02364	1.5
103.05487	1.5
105.04494	2.1
105.07023	27.2
107.04955	3.6
107.08581	33.1
109.02849	9.9
109.06518	6.5
109.10146	17.6
111.04422	8.3
111.08091	4.2
115.05431	2.2
117.06984	13.3
119.08559	21.9
121.06468	4.4
121.10117	25.3
123.08043	3.6
123.10904	1.4
123.11670	8.9
125.09588	2.0
127.03886	12.3
127.39133	1.6
129.05473	11.0
129.06993	5.4
131.08549	21.2
133.06447	2.8
133.10109	21.5
135.07980	3.6
135.11687	14.6
137.09624	2.0
137.13243	1.7
139.07539	1.5
139.11179	2.5
142.60672	1.3
143.08546	4.7
145.06415	1.8
145.10110	11.3
147.08080	1.6
147.11650	14.4
149.09544	2.3
149.13234	19.2
151.11174	3.7
155.08540	3.2
157.10089	4.9
159.11658	22.7
161.09595	2.4
161.13223	4.5
163.11157	3.5
163.14783	2.0
165.12730	1.9
169.10153	1.8
171.07892	1.5
171.11678	3.5
173.04431	25.2
173.13268	4.8
175.11140	2.7
175.14801	2.3
177.12685	9.9
179.14282	2.4
181.10143	2.3
183.11635	3.0
185.13187	2.6
187.13264	4.0
187.14824	2.4
193.12291	1.6
195.11916	1.9
195.13770	17.5
197.13284	2.6
203.12749	1.9
212.24486	1.5
213.14761	2.9
227.12721	2.6
243.15915	4.1
261.22131	5.2
267.16034	1.6
269.17371	8.8
275.16409	1.5
277.14859	1.6
277.21793	1.7
283.15286	2.3
301.21793	1.9
335.25833	18.7
339.18051	7.4
347.83804	1.4
369.24274	4.9
387.24969	2.4
413.21594	8.0
503.30362	2.7
503.37283	30.2
503.44543	1.1
519.36450	4.1
529.38812	10.5
547.39502	4.1
590.99750	1.9
655.41693	2.4
673.43195	7.3
691.43073	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	691.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.78737	0.3
55.05499	1.0
57.03431	2.0
57.07052	0.4
61.02923	5.8
67.05162	0.6
67.05497	7.6
69.03421	3.1
69.07047	1.1
71.04979	0.6
73.02912	4.2
75.66109	0.3
77.23048	0.3
79.05497	2.8
81.03413	1.8
81.07045	4.6
83.08615	0.9
85.02898	5.3
87.04443	0.4
91.03939	3.7
91.05478	2.0
93.07040	3.2
95.04932	0.7
95.08604	2.6
97.02888	4.8
97.10172	0.5
99.04460	0.6
101.02354	2.0
103.03959	0.4
105.07026	1.4
107.08581	1.8
109.02866	0.7
109.10155	5.5
111.08091	0.3
119.08582	1.2
121.10139	1.3
127.03919	2.2
131.08586	0.7
135.11700	1.3
145.04846	0.4
145.10178	0.7
147.11742	0.5
161.71989	0.4
163.11208	0.4
173.11783	0.8
184.07314	0.5
189.11256	0.3
195.09982	0.8
196.58487	0.3
229.14346	0.4
243.08401	1.8
311.25528	0.4
335.25809	0.9
383.02267	0.3
413.17825	4.9
502.00772	0.3
507.23343	0.3
519.29230	9.6
519.36993	0.7
558.42865	0.3
691.40198	100.0
692.40613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.2
55.01868	7.0
55.05260	2.3
55.05507	30.1
57.03424	9.1
57.07067	6.8
65.03926	7.2
67.05501	73.8
69.03426	38.3
69.07064	16.6
71.04989	10.8
71.22336	2.2
79.05485	75.3
81.03414	100.0
81.06572	3.6
81.07051	72.3
81.89680	1.9
83.04979	23.1
83.08611	28.9
85.02896	20.0
85.06519	2.8
86.09715	3.4
87.04458	2.1
89.06027	8.8
91.05474	68.9
93.07037	67.6
95.04960	40.0
95.08602	45.2
95.09086	1.0
95.09219	1.9
97.02884	16.7
97.06497	10.0
97.10166	8.8
98.20715	4.5
99.04460	4.8
105.07021	49.0
107.04966	8.1
107.08581	33.1
109.02875	15.8
109.06522	8.2
109.10152	20.7
111.04437	13.5
111.08073	15.6
114.52297	2.0
115.05461	5.1
117.07005	17.1
119.08572	39.1
121.06514	4.5
121.10136	31.6
123.08040	5.2
123.11718	6.0
124.99995	4.1
125.09573	3.1
127.03906	12.1
128.06204	2.4
129.05449	2.6
129.06984	16.3
131.08563	26.2
133.06461	4.8
133.08629	4.6
133.10126	21.3
135.08070	4.9
135.11667	15.2
137.05997	2.9
141.06982	2.7
142.07785	5.3
143.08539	6.4
145.06496	2.7
145.10097	21.1
145.67763	2.1
147.07990	3.7
147.11688	23.6
149.09615	8.0
149.13243	5.8
153.12738	3.8
155.08562	5.3
157.10115	16.9
159.08064	3.0
159.11693	9.8
161.09593	2.3
161.13292	6.3
163.11215	8.1
163.14865	2.7
165.12817	2.8
167.08588	2.2
169.10081	2.5
171.11707	6.1
173.09567	3.1
173.13249	7.4
175.11180	13.6
175.14865	2.4
181.12198	6.3
183.11783	3.4
183.26901	1.8
184.07353	15.3
185.13321	3.5
187.11133	2.0
189.12784	2.3
191.10696	5.4
193.12231	50.1
195.11713	3.2
199.11067	2.9
205.12328	1.9
211.13263	77.0
211.15221	4.1
227.12827	8.1
229.14302	2.9
235.13275	3.8
243.21001	2.9
247.13065	2.3
259.20566	3.5
261.22183	6.5
265.14496	2.7
267.15933	4.7
277.21606	2.4
283.15280	2.2
285.16956	10.1
301.21564	2.2
315.23169	2.3
333.24243	3.1
335.25900	6.5
337.16556	2.7
351.23175	4.5
355.17563	7.9
369.24350	8.7
387.25250	5.3
398.41278	2.1
405.26398	2.6
411.20090	2.7
443.27985	6.6
461.29208	7.2
497.88681	2.4
527.37469	5.5
545.38464	6.5
548.40448	2.2
653.40100	6.7
671.41260	6.6
689.42535	70.3
690.42792	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66010	2.6
52.14080	2.9
53.03936	7.8
55.01858	7.9
55.05506	29.2
57.03420	13.3
57.07065	6.0
61.02916	8.3
65.03904	3.7
67.05497	75.6
69.03418	31.5
69.07063	23.2
69.57420	24.5
71.01346	3.5
71.04987	9.7
73.02921	4.9
79.05484	63.2
81.03407	69.1
81.07047	92.0
83.04991	19.4
83.08614	19.2
85.02911	14.9
85.06500	6.2
86.09697	8.8
89.06036	5.0
91.03922	5.2
91.05470	64.3
93.07035	60.6
95.04963	11.6
95.08593	49.3
97.02864	31.2
97.06522	12.5
97.10162	5.7
99.04437	8.3
101.02355	3.1
103.05478	4.0
105.07017	56.3
107.04945	6.0
107.08587	37.7
109.02863	14.3
109.06503	9.7
109.10133	20.1
111.04419	5.3
111.08098	6.4
115.05456	4.9
117.07024	24.1
119.08561	40.3
121.06467	7.3
121.10130	33.4
123.08074	5.3
123.11668	7.6
125.00001	9.1
127.03914	17.8
128.06190	6.0
129.05446	9.0
129.06982	20.9
131.08559	35.2
133.06468	4.5
133.08592	4.7
133.10130	26.4
135.08028	5.3
135.11679	14.4
141.06950	5.0
142.07751	5.1
143.08527	18.8
144.09245	3.6
145.06534	4.1
145.10091	34.8
147.08040	6.8
147.11664	30.4
149.09631	5.2
149.13239	12.2
151.11057	3.4
155.08514	17.8
157.10101	19.1
159.08026	3.8
159.11682	23.2
161.13235	9.4
163.11203	4.1
165.12758	7.5
167.08606	5.8
169.10115	14.8
171.08006	4.9
171.11670	17.2
173.04526	14.1
173.13245	12.7
175.11215	6.9
175.14833	5.1
177.12724	3.6
178.29384	3.6
181.10117	7.9
183.11647	18.2
184.07361	25.4
185.13203	15.4
187.11165	4.5
187.14886	8.6
193.10179	5.2
193.12144	4.5
195.11688	9.9
197.13255	11.3
199.14836	9.0
207.11702	4.4
209.13303	4.5
211.13153	6.0
211.14893	6.7
213.16420	4.7
221.13252	3.3
223.14830	6.6
225.16367	4.2
241.19601	8.0
243.21078	3.4
259.20523	10.9
261.22076	7.5
267.15964	10.8
269.17386	8.5
271.20520	5.5
283.20767	3.7
285.16956	5.6
301.21643	6.3
313.21799	4.3
315.22992	3.4
333.24152	4.1
335.25687	9.7
351.23132	4.6
369.24158	7.1
431.93973	3.3
435.32672	13.2
453.33725	10.2
462.86066	3.3
471.34601	5.3
509.36072	10.8
525.35529	4.5
527.37280	100.0
528.37170	4.3
529.38696	4.4
545.38220	12.4
569.38525	3.1
635.39435	5.8
653.40106	10.0
671.41046	11.4
689.42584	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	689.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71361	0.3
54.66482	0.2
57.90042	0.3
58.06600	1.4
69.48026	2.5
70.06561	0.4
72.08114	0.9
74.80473	0.3
79.05464	0.6
84.07682	0.4
84.08134	4.9
89.03899	4.5
95.04905	0.4
107.04959	1.6
110.09645	0.4
110.36158	0.3
112.11231	16.2
116.96819	0.2
117.02641	0.3
117.03373	4.9
118.38188	0.3
129.13864	13.3
134.05931	0.4
135.04401	13.0
145.02835	9.5
147.04352	0.4
153.01805	0.4
155.11777	2.1
158.02530	0.3
162.05457	0.6
163.03882	100.0
164.04224	1.0
215.32184	0.3
219.11295	4.1
220.09659	78.2
221.09967	1.2
234.11185	0.5
291.17001	22.0
292.16885	0.4
365.25671	0.9
392.99142	0.4
453.20090	0.8
470.22525	0.3
509.27469	2.2
527.28577	15.7
528.29199	0.5
689.31726	63.4
690.31982	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	687.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05510	13.3
57.07074	7.9
67.05497	24.7
69.03403	3.4
69.07061	62.0
70.03477	4.2
70.03890	5.8
70.06568	2.0
71.04979	3.9
71.08620	2.9
73.06561	1.5
74.97910	1.4
79.05479	12.7
81.03397	2.2
81.07048	100.0
83.08613	17.4
84.08134	3.2
85.02909	11.6
85.06535	22.6
91.05453	9.1
93.07033	35.1
95.04938	2.2
95.08596	69.4
97.02881	5.0
97.06516	5.0
97.10167	10.5
99.08089	19.1
105.07015	9.9
107.08584	42.0
109.10145	38.6
111.08070	8.8
111.11691	14.8
112.11244	5.5
113.09622	3.4
115.41758	1.7
117.03350	4.6
119.04952	3.5
119.08556	6.9
121.10131	26.7
123.11694	35.6
125.09650	2.9
125.13228	1.9
127.03828	2.1
127.11172	5.5
129.12770	1.7
129.13853	2.7
133.10107	4.7
135.11662	20.0
137.05937	5.1
137.13248	19.8
139.11176	12.4
145.02841	6.2
145.04958	1.8
147.04390	7.9
147.11694	4.1
149.13239	36.1
150.64565	1.7
151.14848	3.7
153.12724	12.4
155.14287	2.2
157.12239	1.8
161.13211	4.7
163.03865	8.8
163.14815	14.7
167.06984	2.0
167.14325	6.5
171.13799	3.2
175.14978	1.8
177.05420	10.1
177.16312	9.6
181.15771	2.0
189.16367	1.8
191.17935	4.3
195.17415	5.2
203.17911	2.6
207.06490	2.6
213.18471	14.5
217.19508	2.3
220.09660	7.4
227.20091	2.1
234.11269	5.1
235.20552	2.4
257.53101	2.1
261.25797	2.2
273.25699	5.0
279.26785	6.4
291.16989	2.5
291.26752	34.5
297.27856	18.9
305.18497	2.2
309.27844	75.4
315.28952	5.5
327.28888	31.1
345.29996	20.7
413.82132	1.8
461.74060	1.8
531.94086	2.1
687.34399	11.2
687.45337	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	687.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45676	0.5
58.06588	2.2
65.03945	1.8
65.21432	0.5
70.06582	0.8
71.58857	0.6
71.94444	0.5
72.08147	1.9
84.08136	8.0
89.03899	5.2
91.05473	10.1
98.09653	0.6
107.04961	0.7
110.09672	0.7
112.11230	28.2
113.07140	0.8
113.88438	0.5
117.03371	12.2
119.04925	18.1
129.13860	27.2
135.04411	5.3
140.23083	0.5
145.02826	38.4
146.03198	0.7
147.04395	47.4
149.05975	3.0
153.01799	0.5
155.11772	4.7
162.05449	0.5
162.21455	0.6
163.03889	62.4
164.04211	0.7
172.12712	0.6
177.05453	59.6
186.05574	0.8
204.10167	4.4
207.06610	0.8
215.58080	0.5
219.11246	3.9
220.09666	60.1
221.09929	0.7
233.12839	3.9
234.11217	44.0
237.50597	0.5
264.15509	0.6
275.17593	2.8
291.16986	16.9
291.20053	1.0
305.18567	14.0
349.26132	0.8
451.22299	0.7
489.55405	0.6
511.29074	5.0
523.28949	4.2
525.30951	6.1
541.30096	15.3
687.33795	100.0
688.33942	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	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05505	13.1
57.03430	14.6
57.07079	1.9
57.36751	0.8
59.04993	4.3
60.63188	0.7
61.02917	4.5
61.28774	0.8
65.03942	3.3
67.05499	100.0
68.05823	0.9
69.03436	1.5
69.07066	7.0
70.54834	2.0
70.55186	0.9
71.04977	3.8
73.02901	0.9
78.94990	0.6
79.05482	19.1
81.03418	0.7
81.07048	38.4
83.08608	8.1
85.02899	3.8
85.06542	3.3
91.03943	2.3
91.05476	14.3
93.07033	23.0
94.07880	0.6
95.04948	1.9
95.08593	27.9
97.02889	3.0
97.06516	1.7
97.10134	1.9
98.20850	0.7
99.08062	0.9
105.07019	6.9
107.08582	13.1
109.06541	0.7
109.10144	83.0
110.10487	1.2
111.08092	2.6
117.07019	3.0
119.08569	10.3
121.10121	8.6
123.08035	1.0
123.11691	3.6
125.09627	1.5
127.03890	0.7
131.08562	5.2
133.10104	4.0
135.11661	6.2
137.09641	4.4
137.13260	1.4
145.10112	4.3
147.11629	3.6
149.13237	4.0
155.10640	4.6
159.11722	3.4
161.13297	3.1
163.14780	2.0
171.11650	0.8
173.10211	1.3
173.11749	23.4
173.13245	4.0
175.14734	1.1
177.16400	0.9
181.25946	0.7
187.14821	1.5
189.11215	1.1
193.12132	0.6
201.09932	0.6
201.16237	0.7
203.96062	0.6
227.12744	4.1
229.14328	94.2
230.14723	1.7
233.22603	0.7
243.21068	4.3
244.67494	0.7
259.20441	0.8
261.22107	15.1
262.22525	0.9
278.84000	0.6
317.24637	3.0
335.25763	65.9
336.26071	2.1
379.29501	1.2
397.30728	1.1
415.31979	1.4
471.34479	0.9
489.35693	32.4
490.35855	1.9
507.36496	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	681.2143
Annotation	Copalliferol A
Peak:m/z	Relative Intensity
55.05490	0.9
62.78312	0.7
67.05499	0.9
69.03422	1.0
69.17165	0.6
71.04958	1.3
71.59869	1.0
71.88691	0.8
74.80217	0.7
81.07020	1.0
85.02901	2.9
86.09703	0.9
91.05482	1.8
93.07047	1.1
100.11176	0.9
105.07048	0.9
119.04911	1.0
137.05977	0.9
147.04417	1.1
153.01865	5.1
173.46790	0.8
177.05562	0.8
207.06516	1.2
350.62280	0.7
505.13867	1.3
523.14539	0.8
535.15729	36.8
536.15955	1.1
597.14911	0.8
681.21362	100.0
682.22241	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01884	1.0
55.05248	1.6
55.05504	13.7
57.03434	14.2
57.07068	2.3
59.04993	3.5
61.02914	3.8
65.03944	1.4
67.05501	100.0
68.05820	1.2
69.03428	1.6
69.07067	6.0
69.40273	9.6
71.04984	3.3
73.02933	1.1
73.63201	0.9
79.05490	21.5
81.03400	1.2
81.07052	40.3
83.08617	7.6
85.02888	3.8
85.06532	3.4
91.03954	1.7
91.05470	14.8
93.07043	27.3
93.07626	2.2
95.04975	2.3
95.08598	24.9
97.02879	3.1
97.06519	1.5
97.10159	2.3
98.20757	1.8
99.08091	1.2
105.07021	8.2
107.08593	13.0
109.06541	1.3
109.10148	78.2
111.08085	3.1
117.07018	3.1
119.08587	11.9
121.10143	12.9
123.11683	3.2
125.09617	1.6
131.08574	5.7
133.10129	6.9
135.11700	6.8
137.09634	3.0
137.13248	1.2
145.10117	4.3
146.73610	0.9
147.11674	4.2
149.13254	4.8
155.10667	4.6
159.11700	4.5
161.13254	3.3
163.14819	3.9
172.81097	0.9
173.11754	22.5
173.13237	3.6
187.14751	1.2
189.11229	1.3
227.12755	4.6
229.14336	96.0
230.14682	2.9
243.20998	4.8
261.22131	19.9
285.10590	1.3
317.24792	4.0
335.25778	83.5
336.26160	2.9
397.30655	2.1
415.32086	1.1
418.07047	1.0
471.34286	1.0
489.35742	67.2
490.35950	4.1
507.36368	2.6
677.11499	1.2
691.08203	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50207	1.9
51.83480	1.9
53.03936	4.2
55.05505	12.2
55.08926	2.0
55.59451	2.0
57.03428	4.8
57.07067	3.9
60.39725	1.9
61.02920	23.3
61.20332	2.0
65.03940	3.2
67.05499	75.5
69.03418	3.3
69.07071	12.7
70.55166	2.3
71.89953	2.4
73.02908	9.5
75.40154	2.1
75.42268	1.7
75.51704	2.0
76.19682	2.2
79.05050	3.7
79.05486	45.7
81.03391	2.7
81.06569	4.4
81.07051	77.7
83.08622	10.6
85.02895	26.2
85.06517	2.6
91.03948	30.7
91.05473	26.1
93.07037	58.8
95.04992	4.1
95.08598	61.3
96.67359	2.3
97.02879	11.6
97.06498	3.0
97.10196	3.7
98.21535	3.6
99.08100	2.8
101.70077	2.3
105.07013	19.6
107.08582	38.1
109.10147	35.0
111.08061	3.2
117.07003	11.1
119.08582	19.0
121.10134	30.7
123.11695	22.2
125.09678	2.6
127.03897	10.6
129.07104	2.2
131.08548	20.6
133.10117	16.1
135.11690	29.1
137.09628	3.6
137.13268	6.4
145.04973	10.9
145.10147	17.2
147.11673	16.2
149.13281	21.7
151.11191	4.7
155.28452	2.2
159.11670	17.5
161.13243	16.2
163.05981	17.8
163.14780	13.9
165.12820	2.6
173.13254	19.7
175.14815	4.3
177.16391	8.4
179.14337	4.2
187.14836	9.1
201.16386	4.8
205.15976	2.5
219.17447	2.6
233.22643	4.4
243.21042	40.4
261.22125	100.0
266.37552	2.2
279.23215	3.3
322.12445	2.1
335.25812	18.6
341.17899	2.4
353.26883	34.6
431.90710	1.9
519.18402	2.5
554.39600	2.3
705.17920	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18810	0.3
71.59450	0.3
81.07081	0.3
83.27113	0.2
93.07065	0.3
107.08585	0.4
133.03496	0.3
133.04698	0.2
133.10124	0.2
185.04256	0.7
256.26300	0.4
259.07837	0.7
272.59387	0.3
309.27835	0.3
333.24930	0.9
347.09464	1.0
421.13049	0.4
501.70770	0.3
515.31879	23.9
516.32196	0.5
677.37109	100.0
678.37463	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	677.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01862	2.0
55.05508	14.0
56.01711	1.4
57.03442	7.0
57.07059	4.2
61.02917	19.1
65.03935	2.7
67.05498	84.7
69.03429	3.7
69.07064	14.9
70.84210	2.2
70.84566	1.8
71.04986	3.7
71.08604	2.6
73.02919	7.2
78.50331	1.6
79.05486	48.0
80.45319	1.3
81.03401	3.4
81.07050	97.6
83.04966	1.9
83.08600	7.9
85.02891	19.4
85.06519	3.3
91.03941	12.9
91.05479	23.1
93.07036	61.5
95.04948	5.2
95.08601	66.6
97.02883	14.0
97.06510	5.2
97.10159	5.0
97.20113	1.5
99.08070	3.4
101.02365	1.4
104.71635	1.3
105.07023	19.8
107.07859	2.1
107.08584	41.2
107.09289	3.0
109.06521	1.8
109.10146	41.9
111.08067	2.3
113.46119	1.2
117.06995	9.0
119.08566	19.6
121.10133	37.5
123.11691	21.0
127.03880	6.8
131.08559	21.7
131.33107	1.6
133.10114	19.6
135.11676	30.5
137.09607	2.2
137.13255	5.8
145.04935	7.6
145.10104	16.9
147.11678	14.7
147.61307	1.3
149.09673	1.5
149.13248	25.0
151.11125	1.7
151.14847	1.5
153.12729	1.7
159.11687	13.9
161.13303	13.0
162.28517	1.4
163.06020	9.6
163.11197	1.7
163.14793	13.9
165.12726	3.8
173.13266	18.6
175.14844	3.0
177.16388	8.3
179.14232	1.8
187.14839	10.4
191.14348	2.7
201.16357	3.3
205.15747	1.9
219.17532	1.8
233.22614	3.3
243.21071	38.0
261.22116	100.0
279.23105	6.4
305.12024	1.2
317.24738	1.9
335.21976	2.3
335.25775	33.7
353.26859	30.2
449.49490	1.4
479.29791	2.3
482.09351	1.7
497.30914	8.2
677.35065	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20219	0.2
50.62520	0.2
54.44748	0.2
55.05490	0.2
57.07063	0.3
63.71625	0.2
67.05497	0.3
82.53458	0.2
88.07630	0.2
92.92852	0.2
93.07021	0.2
95.08617	0.2
98.20748	0.3
102.09170	0.3
119.01917	0.3
133.03493	0.3
143.01903	0.2
155.01852	0.2
161.02917	0.2
173.02956	0.2
185.04175	0.8
193.05028	0.3
203.05252	1.9
229.35896	0.2
252.69998	0.2
256.26361	0.7
259.07974	1.2
277.07639	0.2
278.87872	0.2
305.08081	0.2
326.74081	0.2
333.24884	0.7
347.09415	1.5
357.24976	0.3
365.10538	3.2
421.12970	0.7
515.31848	21.9
516.32361	0.7
677.37061	100.0
678.37427	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	676.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
55.01850	0.3
55.05484	0.1
57.00782	0.1
57.03421	0.5
59.77864	0.1
62.17196	0.1
62.85525	0.1
67.84408	0.1
69.31366	0.1
69.44576	0.7
71.01346	0.1
71.04983	3.6
73.02902	0.2
75.04475	0.2
79.01842	2.4
79.05486	0.1
81.03402	0.1
81.07019	0.2
83.04949	0.3
83.92102	0.1
85.02898	4.0
87.04454	0.1
91.05459	0.8
94.04173	0.1
95.04923	0.2
97.02892	0.5
99.04450	0.3
103.05428	0.7
105.07004	0.1
107.01363	0.5
107.04928	0.4
109.06476	0.3
111.04450	0.1
119.04933	0.3
122.03613	0.3
125.02337	2.3
128.06192	0.2
129.05458	1.6
129.06958	0.8
131.04913	1.5
133.06421	0.1
135.04376	0.1
137.05960	6.9
143.03377	5.0
143.08566	0.4
145.06464	0.1
146.08122	0.7
147.04309	0.1
147.06496	0.5
149.05956	0.2
151.03906	0.4
151.07533	2.8
153.01808	100.0
154.02132	0.7
157.06464	0.9
160.05161	0.1
161.05956	0.5
161.09561	0.2
163.07520	6.2
164.07880	0.2
164.09164	1.6
165.06978	0.5
167.07104	0.1
167.08418	0.1
171.08040	0.6
174.06743	0.4
175.07509	1.2
177.05469	0.1
177.09059	0.8
178.07712	0.2
182.07191	0.2
183.08101	0.1
189.09074	2.2
193.06488	0.4
193.10114	0.6
197.05933	0.1
199.07608	0.2
201.09030	0.1
203.06923	0.1
203.10597	0.8
207.06412	0.1
210.06738	0.4
217.08818	0.1
220.08823	0.2
221.06039	0.8
221.09537	0.8
221.11514	0.2
223.07475	0.1
224.08325	0.2
225.09187	0.6
227.07042	0.2
238.06166	0.1
238.09848	0.2
239.10652	0.1
249.09065	0.3
252.07927	0.2
253.08582	0.7
253.12189	1.8
255.10159	0.1
261.07632	0.2
267.10135	0.7
269.08032	0.2
272.10443	0.2
277.10889	0.1
281.11514	0.6
284.10419	0.2
285.11188	1.5
294.99765	0.1
299.07590	0.3
299.13019	0.1
301.07028	0.5
313.14304	3.7
317.11560	0.3
325.14258	0.2
331.15488	0.8
337.14322	0.2
341.10101	0.3
343.15396	0.1
345.09933	0.1
349.14310	0.2
359.11172	1.8
367.15366	0.5
371.11200	0.2
373.12717	1.8
413.12366	0.2
423.17914	0.2
441.18936	0.2
455.16495	0.2
465.15140	0.2
483.16449	21.2
484.16800	0.5
495.16370	0.5
499.63052	0.1
507.16379	0.2
519.16547	0.6
522.30945	0.1
575.18848	0.2
593.19995	0.1
629.07697	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	675.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.9
55.93524	8.3
56.94310	2.3
57.11955	0.8
57.74319	0.7
63.57193	0.8
67.05503	6.1
68.65810	0.8
69.03407	1.3
69.07049	1.5
70.95856	6.2
71.78120	0.9
71.92989	2.9
72.93785	16.0
73.94579	1.1
79.05489	3.7
81.03429	2.7
81.07065	3.3
88.96913	4.9
90.94820	17.0
91.05448	4.4
93.07061	2.1
95.04963	1.4
95.08582	1.6
102.94781	1.1
104.96365	0.9
105.07046	2.6
106.97928	1.3
107.08579	1.6
107.95126	0.9
108.95863	6.8
109.10188	1.3
113.96398	2.0
113.97635	0.9
116.96374	2.7
117.07060	1.4
123.94524	1.2
126.98421	1.2
128.96349	4.9
130.97932	3.3
132.95857	1.7
134.97392	4.2
134.98929	1.1
136.95349	1.7
138.98415	3.4
142.97885	2.5
144.95830	3.5
144.99463	3.4
146.97398	5.3
148.98981	5.3
150.96909	3.1
151.02061	2.7
151.97632	2.1
153.00000	1.6
154.97900	2.6
156.99481	3.1
158.97473	1.7
159.01070	1.4
160.98965	2.5
162.01254	1.1
162.96872	4.4
163.00552	1.2
164.98720	1.0
165.00002	3.6
165.03627	1.6
166.29005	0.9
166.97911	4.0
167.98698	2.0
168.99483	3.5
170.97411	1.9
171.01025	2.3
172.98984	5.3
175.00552	2.2
176.98479	2.9
178.97916	2.3
179.01581	3.2
180.99509	2.0
181.03249	1.1
182.97452	2.0
183.01088	2.0
183.98155	1.7
184.98973	3.0
186.01239	2.0
187.00548	3.1
192.99493	3.3
195.00975	1.4
196.98985	1.6
197.02670	2.3
199.00522	3.6
199.02182	1.4
199.04109	1.2
200.98489	2.3
201.02032	2.0
201.03679	2.3
209.02563	1.7
211.04175	1.3
212.76787	0.8
213.02000	1.5
213.03784	1.9
215.03694	3.1
221.02576	1.7
223.00641	1.5
225.02112	3.1
227.03418	4.5
229.05231	5.0
237.02051	1.1
239.03557	1.6
243.03156	5.4
244.05092	1.2
245.04715	40.0
251.03687	1.1
255.03227	2.4
255.06602	1.6
257.04684	3.0
259.06381	2.6
261.04221	1.3
263.05920	4.3
264.06293	0.9
265.05319	1.9
267.06772	28.5
268.06268	5.1
269.10010	1.5
271.06302	5.1
273.04181	18.6
274.05069	3.7
275.05704	20.0
279.08478	1.5
281.04669	1.9
281.09998	1.2
283.06329	5.4
285.07828	23.2
288.02991	2.5
289.07367	1.1
294.07999	1.3
296.06174	1.9
298.07278	3.3
299.05753	3.4
301.12283	1.0
305.12125	1.0
307.10068	1.2
308.09360	6.3
318.71103	1.1
329.12073	3.3
345.11551	1.8
346.13446	0.9
347.13046	41.6
348.13306	1.4
364.14667	1.8
365.14093	100.0
366.14420	1.6
383.15146	7.1
388.15683	3.6
399.14642	13.6
406.16696	7.4
439.17538	1.0
555.36066	1.0
675.36163	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	675.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22425	0.4
60.41655	0.4
62.72316	0.4
64.52850	0.4
70.04769	0.9
70.05169	1.9
85.77884	0.5
98.20769	0.6
108.22041	0.4
141.44760	0.4
180.75433	0.4
255.89789	0.5
453.15759	0.6
454.16672	1.4
455.13031	0.6
467.13080	1.0
468.13864	2.3
469.14835	8.9
470.15521	2.1
471.16891	0.6
479.17191	0.6
481.15070	2.7
482.15741	13.4
483.16580	10.4
484.17352	1.9
485.18054	0.6
487.16577	0.6
495.16559	1.3
496.17456	6.5
497.18213	42.7
498.18796	5.7
499.19781	0.6
500.17191	0.8
501.17395	0.5
510.18817	1.9
511.19815	6.4
512.20587	1.8
515.19305	3.6
523.17004	0.5
528.16400	1.8
538.19885	1.1
539.19659	0.8
541.16986	1.3
542.17822	2.4
555.18781	1.7
556.19446	4.2
557.20300	3.0
569.20416	1.2
583.20850	0.7
616.21796	1.7
629.22357	0.7
643.23969	6.9
644.24609	8.2
645.24536	1.3
657.25549	7.2
660.24451	0.7
675.26550	100.0
676.26898	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	675.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02372	0.4
55.01856	0.3
68.99783	0.2
69.03414	0.4
70.06560	0.1
71.04970	0.1
71.59389	0.2
79.01839	3.3
81.03410	0.7
85.02871	0.4
92.29887	0.2
97.02874	0.8
103.03923	1.6
107.01297	0.5
109.02841	1.1
121.30911	0.1
125.02327	2.7
127.03907	1.2
137.05942	0.2
143.03374	6.5
153.01805	100.0
154.02142	0.4
159.04382	0.3
163.03860	1.0
169.04901	1.0
175.03845	0.3
177.05437	0.4
187.03897	0.2
187.06044	0.3
191.03384	1.4
195.02841	0.5
205.04927	0.5
207.02921	0.3
209.04399	0.8
215.03410	0.3
217.04907	0.3
219.02956	0.3
233.04465	1.1
237.03905	4.4
243.02905	0.2
245.04417	0.2
250.21979	0.1
261.03903	1.9
272.08545	0.1
273.03848	0.2
279.04947	1.2
297.06134	0.8
311.12503	0.2
319.04465	2.7
321.06238	0.2
329.03006	0.2
339.07217	1.1
343.04492	0.4
357.08084	2.8
361.05554	0.3
363.01425	0.2
385.05383	0.2
400.17758	0.2
505.09769	0.2
523.10742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.6
57.07071	34.2
59.04987	0.7
60.08164	0.5
63.89340	0.5
67.05493	2.5
69.07056	2.4
70.10245	0.5
70.16683	2.2
71.08625	25.0
73.02898	0.7
73.06551	10.1
79.05466	1.0
79.32649	0.6
81.07046	1.4
83.08606	2.7
85.10175	24.5
86.09712	1.6
87.04463	9.1
89.06022	100.0
91.05465	0.9
91.07591	1.0
93.07029	0.6
95.08600	1.2
97.10165	4.3
99.11704	3.8
107.07060	5.3
107.08540	0.7
109.10165	0.8
111.11711	0.7
113.13272	1.5
117.09119	9.2
121.10133	0.7
124.99987	1.2
130.08620	3.1
130.83368	0.6
131.07042	2.7
133.08592	52.1
135.10144	1.2
135.11668	0.6
141.62968	0.5
154.78262	0.5
155.17935	4.6
161.11725	2.3
175.09653	1.5
177.11206	18.2
179.12918	0.5
184.07312	4.5
185.07576	1.0
199.20540	4.4
221.13866	2.8
239.14874	1.4
240.23228	1.4
243.23178	9.3
243.25471	0.8
283.17566	1.0
287.25809	4.9
309.19012	0.7
324.44986	0.6
327.20145	0.7
335.25858	1.0
503.30585	1.7
543.93207	0.6
644.36969	0.6
657.47351	2.4
674.51031	1.2
682.43311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.05504	0.7
56.05037	0.5
57.03398	0.4
58.06612	0.4
60.07882	0.4
60.08157	5.6
67.05504	2.5
69.03408	0.7
69.07055	0.7
71.07366	3.0
79.05488	1.6
80.05785	0.4
81.03402	0.8
81.07049	2.3
82.07386	0.4
83.04958	0.4
83.08585	0.5
86.09695	31.2
91.05450	1.5
92.05798	0.4
93.07046	1.7
93.07523	0.3
94.07330	0.4
95.04919	0.4
95.08585	1.0
96.08931	0.3
98.20731	0.9
98.98454	3.5
104.10725	1.7
105.06995	1.0
107.08566	0.8
109.10143	0.5
119.08560	0.7
121.10136	0.7
124.99992	19.6
131.08546	0.8
133.10146	0.5
140.94487	0.3
143.01097	0.4
145.10086	0.4
159.11652	0.5
169.10001	0.3
184.07318	100.0
185.07686	0.5
199.05345	0.3
203.17851	0.3
229.32361	0.3
674.32928	0.5
674.43640	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	673.3227
Annotation	Isoheterotropatrione
Peak:m/z	Relative Intensity
51.72834	0.3
55.05487	0.3
58.06587	1.8
65.03914	0.9
69.36563	2.3
69.36990	0.8
70.06569	0.5
72.08117	1.4
78.23640	0.3
79.05495	0.4
84.08133	6.3
89.03437	0.4
89.03909	3.0
91.05466	7.3
98.09652	0.4
107.04920	0.7
107.62788	0.3
110.09664	0.5
112.11231	21.8
113.07101	0.5
117.03372	3.3
117.37750	0.3
119.04929	16.8
129.13863	18.1
133.31940	0.3
135.04396	7.5
145.02831	7.8
147.04393	38.5
153.01823	0.7
155.11749	3.0
162.05476	0.6
163.03882	100.0
164.04166	0.8
187.47656	0.4
204.10208	2.8
218.11700	0.9
219.11259	7.0
220.09657	97.6
221.09987	0.9
275.17566	1.2
291.16992	24.5
307.47940	0.3
349.26093	0.5
365.25464	0.7
391.22845	0.4
404.77228	0.3
437.20715	1.1
509.27490	3.2
511.29129	8.2
511.36136	0.6
527.28577	10.6
528.28363	0.4
570.53247	0.3
639.31628	0.3
655.31091	0.6
656.29523	0.7
673.32220	84.5
674.32697	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	673.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06567	1.3
60.14803	0.3
63.02342	0.4
65.03914	0.9
67.27328	0.3
69.51958	1.5
69.52391	1.4
70.06577	0.9
71.04980	0.5
72.08120	1.6
79.05461	0.7
79.71582	0.3
84.08137	5.8
85.02866	0.5
89.03902	3.1
89.25475	0.4
91.05471	8.4
98.09660	0.5
98.21502	0.9
107.04926	1.0
109.40356	0.4
110.09657	1.1
112.11233	21.1
117.03359	2.8
119.04933	17.3
119.08158	0.5
126.59535	0.4
129.13869	16.3
135.04399	8.1
145.02826	8.1
145.03964	0.5
147.04393	45.4
153.01846	0.5
155.11801	2.2
162.05545	0.5
163.03886	100.0
164.04225	0.9
179.77486	0.4
194.44435	0.4
204.10170	4.8
207.06732	0.4
211.09727	0.5
218.11821	1.0
219.11284	7.8
220.09663	94.3
221.09987	1.2
237.12320	0.4
275.17444	1.8
291.17010	26.0
316.28439	0.3
349.25958	0.7
365.25415	0.5
437.20859	1.5
509.27478	4.3
511.29202	8.9
527.28540	9.2
625.91681	0.4
626.36548	0.4
655.31262	0.8
673.32233	90.3
674.32587	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	672.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
57.03223	0.4
57.03429	3.8
57.07069	30.1
61.02642	0.6
61.02920	10.1
67.05499	7.1
67.14732	0.4
69.03406	1.3
69.07059	6.0
71.04990	0.6
71.08622	25.4
73.02910	3.9
75.04484	2.1
81.03385	0.6
81.07051	12.2
83.08137	0.7
83.08607	9.9
85.02892	11.1
85.06560	1.0
85.10172	14.4
89.06029	0.7
91.03396	0.7
91.03942	12.1
91.39301	0.4
93.07030	0.6
95.08597	20.3
97.02867	5.5
97.10158	5.3
99.04393	0.7
99.11714	1.2
103.03891	0.7
103.07516	0.7
109.10140	9.1
111.11716	0.8
115.03856	0.5
123.11697	4.7
125.13259	0.5
127.03900	4.2
137.13193	1.4
145.04932	5.7
151.14725	0.6
151.79874	0.5
162.07559	0.4
163.05994	8.6
165.16315	0.7
184.07401	0.5
221.22707	0.8
239.23674	22.3
257.24680	4.0
298.27200	0.8
313.27319	100.0
314.27698	2.6
331.28381	24.0
457.31335	0.5
475.32611	1.9
569.82617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01856	0.7
55.05502	4.8
57.03439	3.7
57.07071	35.6
61.02923	14.7
67.05165	1.0
67.05496	10.8
69.03406	1.8
69.07066	6.8
69.47182	5.3
71.08627	27.9
72.11864	0.6
73.02913	5.2
75.04463	1.8
79.05476	1.8
81.03412	1.4
81.07049	16.3
83.08615	12.5
85.02421	1.2
85.02898	16.5
85.10174	17.8
89.06004	0.7
91.03947	13.2
91.05451	1.4
92.05773	0.8
93.07018	2.3
95.04958	2.0
95.08601	22.6
96.05300	0.7
97.02882	7.8
97.10159	6.1
99.11719	1.6
105.07012	1.3
107.08563	1.5
109.02882	0.7
109.10143	11.7
111.11711	1.6
117.07005	0.7
119.08593	1.3
121.10091	0.7
123.11692	4.9
125.13222	0.7
127.03920	5.8
127.28891	0.5
133.10262	0.7
135.11705	0.8
137.13243	2.2
137.60049	0.6
145.04942	8.1
151.14813	0.9
163.05998	10.2
221.22818	1.1
239.23674	23.1
257.24640	4.1
313.27335	100.0
314.27655	2.3
331.28391	32.9
332.28473	0.8
402.80182	0.7
636.39612	1.3
672.41302	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57919	1.8
53.03926	3.5
53.09016	1.8
69.03426	14.4
69.91472	10.6
70.06582	5.4
73.02912	2.1
81.03415	47.1
84.08126	3.5
85.02898	4.3
91.05455	2.6
97.02869	3.0
99.04488	2.4
105.26003	1.8
109.02888	16.3
125.02322	2.3
127.03925	6.3
145.02870	2.5
147.04425	5.4
153.01816	5.4
160.73442	1.9
163.03938	4.8
177.05499	2.6
187.65109	2.1
189.01842	4.8
191.03436	5.3
201.01738	2.3
207.02876	5.8
217.01363	10.3
219.02840	9.3
229.01227	2.2
235.02382	18.2
245.00749	5.6
247.02419	3.5
263.01892	6.7
273.00449	9.5
275.01889	5.4
291.01227	3.5
300.99741	3.4
323.05432	3.3
337.01865	26.4
341.06781	2.3
343.66119	2.5
429.11447	2.2
463.05081	17.4
481.06149	100.0
512.11041	2.9
530.12708	3.0
549.95435	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	671.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.3
54.63510	3.9
55.01856	16.2
55.05508	42.5
57.03429	10.4
57.07083	5.1
60.13082	4.0
65.03925	8.6
67.05498	88.7
69.03425	11.4
69.07055	26.2
71.04990	7.3
71.58671	4.5
71.59078	4.8
79.05486	75.9
81.03416	76.8
81.07050	78.1
83.04974	10.1
83.08643	19.8
84.41256	3.7
89.06003	5.3
91.05467	74.1
93.03419	4.6
93.07034	72.8
95.04959	100.0
95.08598	57.8
97.02879	7.6
97.06549	9.3
97.10148	19.3
99.04446	4.7
103.05421	6.5
105.07008	58.7
107.04950	28.3
107.08572	37.3
109.06509	12.7
109.10146	21.4
111.04417	18.6
115.05463	11.7
117.06977	25.1
119.08572	35.0
121.02853	8.2
121.06489	19.9
121.10114	23.7
122.38558	3.9
123.04408	14.3
123.08071	8.4
123.11710	5.7
125.09615	16.2
128.06247	9.4
129.06978	25.0
130.07814	6.0
131.04884	13.7
131.08583	27.5
133.06483	18.3
133.10097	27.2
135.08015	11.2
135.11705	16.3
137.06000	7.8
141.07002	11.1
143.08539	24.5
145.06494	19.3
145.10101	29.6
147.04395	15.3
147.08055	13.3
147.11681	16.0
149.06018	8.3
149.09630	7.9
149.13327	4.6
155.08582	12.9
157.06525	7.0
157.10100	11.0
159.08054	9.3
159.11702	11.7
161.05872	19.6
161.09592	14.4
161.13200	5.6
163.11154	14.7
167.08533	8.3
169.06462	4.7
169.10095	9.7
171.08090	7.6
171.10281	5.2
171.11702	12.1
173.05992	8.7
173.09674	5.3
173.13257	8.3
174.06767	11.8
175.07520	5.9
175.18050	4.3
181.10048	8.0
183.07945	5.8
183.11723	7.2
185.09666	6.2
185.13176	9.3
187.07533	9.4
189.05447	13.4
189.11168	6.4
191.07033	5.7
193.10149	5.5
193.12148	4.7
195.11723	7.2
197.09619	8.7
199.11142	7.1
205.12282	11.8
207.11754	5.0
207.13669	5.3
209.13219	6.7
213.12836	5.3
221.13202	5.2
223.11229	5.4
223.13152	8.3
227.12718	5.2
237.12900	5.1
255.13741	7.4
257.15579	5.9
257.18887	4.6
259.13229	5.7
259.20560	11.6
271.13266	5.6
273.14877	43.7
283.13297	9.2
285.14859	9.2
289.14307	6.9
301.14288	40.0
303.15906	16.8
319.15472	17.4
333.24380	5.3
335.25766	28.6
347.18512	7.3
363.40158	4.2
375.18283	9.0
391.26108	5.4
393.18829	14.7
525.33771	7.0
543.34406	5.8
579.35840	7.3
581.37970	8.4
602.34406	5.1
617.37885	9.6
623.39142	14.2
635.39124	52.3
653.40625	34.3
671.41443	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
59.91211	0.4
61.02919	2.9
67.05502	4.0
69.03422	1.9
69.07055	1.2
70.73036	1.3
71.04994	0.5
73.02901	2.0
79.05493	2.3
81.03413	1.5
81.07041	4.2
83.04974	0.6
83.08604	1.4
85.02899	2.3
89.53932	0.4
91.03942	2.4
91.05463	1.6
93.07033	4.1
95.04955	0.9
95.08604	1.3
97.02876	2.6
97.06517	1.1
101.02376	1.1
105.07014	1.0
107.08590	1.6
109.10147	0.6
111.08101	0.6
117.06989	1.0
119.08574	0.9
121.10152	1.0
127.03873	1.4
131.08548	0.8
133.10103	0.9
134.94266	0.4
135.11732	0.9
149.13249	2.0
159.11674	1.0
171.11726	0.4
176.13840	0.5
177.12755	0.4
180.50795	0.4
185.04218	0.7
185.45563	0.5
195.13884	1.6
208.26202	0.4
235.13075	1.2
243.08478	1.3
269.17523	1.4
291.15823	1.0
453.20938	16.0
459.92218	0.5
463.10931	0.5
510.63257	0.5
665.35010	100.0
666.35278	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	667.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
60.17895	0.3
61.83746	0.3
67.05489	1.0
69.03394	0.4
69.07063	1.1
69.89670	1.2
69.90081	0.7
70.97308	0.3
79.05493	0.5
81.07050	1.6
83.08633	0.8
85.02880	0.8
91.05485	0.8
93.07043	2.6
95.04970	0.9
95.08609	1.9
105.07044	0.9
105.35527	0.3
106.62990	0.3
107.08575	0.8
109.10117	0.6
116.15910	0.3
117.14616	0.3
117.56919	0.3
119.08616	0.8
119.93063	0.3
121.10141	1.1
121.13046	0.3
123.11668	0.8
131.08559	0.5
134.99779	0.4
145.10225	0.5
145.73178	0.3
147.04408	0.5
149.09593	0.3
149.13344	0.8
153.01924	0.3
164.44536	0.3
167.14433	0.5
176.04547	0.5
181.04849	0.4
203.06807	0.5
205.04765	0.9
219.06175	0.5
249.07367	0.5
255.03618	0.4
257.04828	0.7
281.04602	0.8
289.25223	0.7
295.26337	0.7
296.06015	0.4
307.26337	2.2
335.30212	0.4
341.06940	1.4
373.12613	0.4
403.13602	0.6
425.11957	2.8
439.14041	0.4
440.14371	7.3
454.16040	0.4
487.29852	0.5
489.28165	0.4
586.82056	0.4
607.21704	0.7
619.21722	0.4
667.23566	100.0
668.24023	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	663.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
55.48941	0.5
58.93692	0.5
67.05525	0.5
69.74910	1.5
69.75335	1.6
73.62083	0.5
79.05485	0.5
81.07063	0.8
83.08607	0.6
91.05491	0.7
105.07030	1.0
109.10155	1.0
144.55640	0.5
157.18018	0.5
170.32327	0.5
185.04288	0.6
185.79066	0.5
243.08374	0.9
290.66574	0.4
324.38940	0.5
427.24603	0.7
445.25583	1.7
501.28003	2.4
573.27472	0.5
610.07214	0.5
663.33417	100.0
664.33844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97099	0.8
57.07071	46.9
70.90218	1.7
77.03992	1.0
91.05480	5.3
95.04967	1.5
98.09254	0.8
105.07056	2.5
116.21523	1.0
119.08595	1.8
139.50587	0.8
147.11688	7.0
153.06946	2.9
158.87062	0.9
224.08714	0.8
229.10190	1.2
233.03633	4.8
251.04637	14.8
307.10956	2.4
327.07776	100.0
328.08261	3.0
383.14020	86.3
384.14209	1.6
439.20294	72.8
440.20822	1.8
495.26559	72.4
496.26749	2.4
551.32770	86.1
552.33075	2.7
607.39020	56.6
608.39484	3.2
663.45178	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	662.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46755	2.0
70.77448	6.1
87.04447	5.8
118.62553	2.0
124.53055	2.1
170.12402	2.3
174.57990	2.2
215.46548	2.4
238.37938	2.0
403.19473	4.1
405.20905	3.1
415.19476	2.9
417.21051	5.3
431.18600	9.4
433.23773	8.7
444.19287	7.1
445.20541	11.5
446.16425	4.0
447.17932	10.0
457.19928	2.6
459.21820	65.7
460.22922	12.0
461.23322	8.8
462.20731	5.3
473.23047	3.0
475.21271	28.1
476.21783	8.2
477.22562	4.6
487.24643	4.1
507.50409	2.4
519.23822	11.6
531.23431	2.6
533.21527	5.6
535.23273	7.9
545.25079	4.2
546.25940	3.9
547.27167	30.1
548.26184	2.7
561.22217	2.9
563.26288	14.1
574.25696	3.5
576.23438	2.7
579.83716	2.5
590.25671	3.1
591.25610	6.4
593.24042	7.0
602.27502	4.2
605.27246	4.7
606.28314	93.0
607.28839	12.3
622.27795	100.0
623.27679	10.0
630.26703	9.9
662.29755	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	662.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05502	3.9
57.03422	1.2
57.07067	11.0
59.87022	0.5
65.29775	0.4
67.05497	8.0
69.07058	4.6
70.20216	2.4
70.91125	0.5
71.04971	1.1
71.08620	6.4
79.05479	7.9
81.03402	0.6
81.07050	8.6
83.04973	0.9
83.08607	5.0
85.10175	4.3
86.09706	0.9
87.04462	1.1
91.05473	2.4
93.07029	11.5
95.04950	1.9
95.08595	17.6
95.47190	0.4
97.02911	1.4
97.06533	1.2
97.10161	1.5
98.21465	0.5
98.98458	0.8
99.04441	1.6
105.07010	2.5
107.04935	2.5
107.08583	10.0
109.06521	0.5
109.10135	3.5
111.04396	0.5
117.07008	2.7
119.08557	4.0
121.06514	1.8
121.10152	4.4
123.11710	0.9
125.00027	0.5
125.05979	1.1
130.07826	0.7
133.10132	0.7
135.08057	0.7
135.11670	17.5
135.12700	0.9
139.07480	1.0
140.19481	0.4
145.10100	10.5
148.13344	0.5
153.12697	0.6
155.01065	1.1
163.11154	22.4
181.12195	3.2
184.07327	2.0
199.77312	0.5
209.11649	0.5
227.12756	33.0
252.15889	2.9
273.20920	0.5
282.27887	2.1
283.15302	3.1
297.65790	0.5
313.27399	2.5
353.77563	0.4
363.12082	1.0
436.27911	0.6
464.57220	0.5
521.38306	100.0
522.38568	2.0
556.66644	0.5
581.65814	0.5
662.39984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36534	9.8
71.58772	14.1
79.05463	12.6
81.07058	16.8
85.02899	34.4
85.13477	9.7
91.05474	24.5
93.07018	20.1
95.04993	12.0
97.02864	13.0
105.06993	22.9
106.04141	25.6
107.04927	19.9
121.06482	23.5
127.03930	12.5
131.04887	10.9
149.05998	47.2
153.01825	26.5
153.09146	11.5
163.07524	20.6
167.07045	47.4
175.03847	10.5
177.05501	35.7
181.05019	50.2
181.08562	13.9
184.07306	19.5
191.07047	41.8
202.41167	9.6
207.06450	18.6
209.08037	100.0
286.72144	10.5
299.44952	9.1
411.09671	10.8
662.34344	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	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05499	5.7
55.46064	1.3
57.03433	8.2
58.89787	1.2
59.04963	1.4
61.02902	1.5
63.16345	1.3
66.35938	1.3
67.05494	31.3
69.07060	10.9
71.59390	2.2
79.05481	18.2
81.03408	2.2
81.07042	43.3
83.04970	5.8
83.08588	9.5
83.96122	1.4
85.02879	2.0
85.06549	2.3
91.05465	10.4
93.07033	31.8
95.04952	4.0
95.08588	10.6
97.06495	7.0
99.08073	2.2
105.07022	2.0
107.08564	19.9
109.10167	2.1
111.08044	3.5
117.07014	4.9
121.10120	13.3
123.11695	1.3
131.08557	5.2
133.10112	5.8
135.11676	6.0
139.11154	1.9
149.13219	23.4
159.11649	9.7
177.12746	4.0
179.88168	1.3
195.13773	6.9
269.17435	53.3
319.13510	1.6
463.30453	100.0
636.13995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
56.81960	0.8
57.07068	24.0
67.05490	1.0
69.07053	1.8
69.65419	6.8
71.08624	24.2
71.27912	0.9
73.02888	0.8
73.06551	10.2
75.25923	1.1
79.05473	1.6
81.07029	2.0
83.08601	4.6
85.09647	1.6
85.10171	27.0
87.04448	10.0
89.06021	100.0
91.07570	1.3
97.10169	1.2
98.21497	1.1
99.11726	3.0
106.23967	0.9
107.07050	5.0
117.09133	7.5
130.08644	2.7
131.07063	2.8
133.08586	49.6
141.16335	5.2
161.11723	2.5
175.09590	1.5
177.11198	18.2
185.18958	7.0
221.13882	3.2
226.21620	1.1
229.21620	9.2
233.78673	1.0
273.24216	3.4
283.17529	1.4
423.32352	1.1
470.44360	1.0
503.30350	1.3
643.46045	4.0
660.49445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.44141	0.6
55.01867	1.2
55.05503	4.9
57.03178	0.6
57.03423	3.7
57.07050	0.8
61.02913	1.6
65.03924	0.7
67.05497	22.9
69.03411	0.8
69.07061	6.8
69.27824	5.8
69.28242	1.2
71.04971	2.6
71.23007	0.6
73.02893	0.8
79.05485	13.8
81.03407	1.9
81.07047	30.6
82.29209	0.6
83.04971	2.3
83.08607	6.9
85.02889	2.7
85.06522	1.6
87.81406	0.8
91.03934	1.4
91.05473	9.6
93.06464	1.3
93.07033	21.2
95.04954	2.6
95.08591	9.1
97.02891	1.0
97.06512	5.0
97.10137	1.0
105.07015	5.5
107.08586	12.0
109.06532	1.1
109.10146	2.4
111.08070	1.9
117.06991	5.1
119.08569	1.8
121.06483	1.4
121.10136	6.7
123.08051	0.7
123.11659	1.8
129.07005	1.6
131.08516	4.7
133.10112	5.8
135.08029	1.0
135.11681	5.0
139.11269	0.7
143.08575	0.9
145.10112	2.1
147.11646	0.8
149.13249	11.1
153.01816	0.8
155.08612	0.7
157.10062	1.3
159.11693	4.4
173.13332	0.7
177.12772	2.2
183.11777	0.7
195.13788	6.7
200.18275	0.7
204.36206	0.6
213.14801	1.2
251.16368	1.2
266.51306	0.7
267.21771	0.7
269.17429	26.1
353.24777	1.7
371.25888	1.3
389.26788	1.0
427.28580	0.9
445.29544	11.2
463.30515	100.0
464.31036	3.0
607.34747	1.9
687.34198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22857	0.5
55.05444	0.4
56.96484	28.0
56.96796	4.1
67.05453	0.6
69.71538	3.1
71.95175	3.4
72.95984	0.9
74.97565	1.0
79.05395	1.4
81.06984	0.9
84.95950	1.3
91.05366	0.6
93.06977	0.6
97.91778	0.5
97.96767	1.1
98.39116	0.7
98.97494	1.1
105.06917	0.6
110.97526	2.5
116.98534	0.8
119.44958	0.5
123.01114	1.2
128.31465	0.5
128.98599	5.1
129.99347	1.1
133.01657	1.4
133.45229	0.5
137.02638	1.7
139.00580	1.2
141.02139	1.4
141.99187	0.5
143.00027	1.1
145.01616	0.6
146.99629	7.5
147.03197	1.0
148.00281	2.3
149.01067	0.8
153.02032	0.8
155.03658	1.9
157.01627	1.3
159.03169	1.0
160.00307	1.7
161.01076	1.7
163.02643	0.6
163.67354	0.5
165.00581	1.4
166.01410	0.7
167.03648	1.7
169.01639	1.0
169.05296	0.7
171.01987	0.5
171.03265	5.1
173.01181	1.0
173.04736	1.8
175.02748	1.0
176.20598	0.6
177.04268	0.7
181.05240	1.2
183.03186	1.5
183.06859	1.1
184.03975	0.7
185.04863	5.4
185.42596	0.6
187.02582	1.6
187.06337	0.7
189.04306	6.5
191.05795	1.3
193.05278	0.9
195.06941	1.2
197.01147	1.5
197.04755	1.6
197.08450	0.7
199.04750	0.7
199.06418	11.8
199.82045	0.5
201.00604	0.8
201.04213	2.1
201.08038	2.9
203.05881	10.6
205.07343	2.0
206.54874	0.5
207.05188	0.9
207.06944	0.7
208.04311	0.5
208.06303	0.7
209.04912	0.7
209.06755	0.6
211.06325	6.3
213.06081	0.7
213.07959	7.6
215.02257	3.6
215.05769	1.4
217.07460	22.0
219.08904	2.1
221.06885	1.3
222.07895	1.4
223.02579	0.7
223.06401	1.2
223.08209	0.6
223.10121	0.6
225.04306	1.1
225.07932	4.0
226.29498	0.5
227.05798	1.7
227.09404	2.3
229.07451	38.2
230.07759	0.7
231.06871	1.6
231.09012	10.2
233.03235	0.6
235.08359	1.3
237.04289	0.8
237.07877	1.9
239.05908	2.8
239.09581	3.9
240.06587	1.4
240.08858	0.7
241.07430	3.6
241.11017	1.6
242.04239	0.6
243.09039	5.0
244.06169	0.8
245.06870	1.0
245.10570	3.2
247.08513	35.3
248.08835	0.9
249.07945	2.8
251.05721	0.6
251.09489	5.4
252.09067	3.7
253.07428	0.7
254.10567	0.6
255.05162	0.7
255.09010	17.3
257.06940	7.7
257.10593	2.6
258.07724	6.7
259.08511	7.0
259.11374	0.9
259.12106	0.8
267.08987	21.6
269.10568	42.5
270.10120	1.8
273.07303	0.9
273.10065	12.6
275.07880	2.3
276.08774	5.5
277.09601	1.6
278.10477	1.6
279.09097	1.2
280.09381	1.0
281.09747	0.7
282.09943	0.6
285.10065	35.5
286.10419	0.8
287.11615	18.0
288.11996	0.7
289.14999	0.6
290.10562	1.9
291.12756	0.8
292.12186	5.1
295.11841	0.6
296.11688	0.7
298.10645	0.7
303.04968	0.7
303.11087	3.7
307.15805	0.8
308.11716	2.8
309.13684	0.7
310.13287	1.0
313.14746	1.6
319.15854	0.6
331.15744	15.4
349.16815	72.3
350.17233	1.4
367.17877	100.0
368.18237	2.8
372.18378	2.7
383.17377	9.1
385.18939	11.0
390.19437	17.0
413.18314	1.2
423.20389	0.7
484.12448	0.5
521.27856	8.7
551.28937	1.5
561.30878	2.2
659.38165	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	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	2.6
56.96560	43.6
58.33109	1.2
60.70075	1.2
67.05495	3.2
69.07053	1.4
71.59399	1.4
71.95267	3.0
79.05472	1.7
81.07056	3.0
83.14215	1.1
91.05505	1.2
93.07030	2.6
95.08630	2.0
105.06985	2.4
107.08598	1.5
109.10141	1.8
128.98596	2.5
131.08577	1.5
133.01729	2.7
146.99640	4.0
147.03279	1.6
155.03799	2.8
168.57332	1.1
169.01762	1.4
171.03291	5.5
181.05316	1.7
185.04845	4.5
187.02713	1.7
189.04364	7.5
197.04863	1.6
199.06477	7.6
200.99925	1.2
201.04324	1.4
203.05870	10.7
207.06841	1.7
209.04919	1.5
211.06445	4.1
213.07948	16.6
215.05792	1.4
217.07440	15.8
221.08647	1.2
225.07959	10.6
227.09599	3.7
229.07454	5.0
231.06877	0.9
231.09018	27.3
236.09566	2.1
237.07932	3.9
239.09540	6.2
241.11192	2.6
243.09018	8.4
245.10538	2.8
249.07956	4.5
251.09477	15.4
255.09013	24.7
257.07104	1.4
257.10590	5.8
259.12375	2.2
267.09042	27.3
269.10583	100.0
270.11005	2.5
273.10120	20.8
278.10767	3.7
285.10052	46.0
287.11630	50.8
290.10706	3.0
292.12177	15.8
293.14261	1.5
303.04996	3.7
303.10983	5.9
308.11807	3.7
310.13284	3.8
313.14514	1.4
331.15741	8.9
349.16803	32.7
367.17892	98.3
368.18060	2.6
369.44476	1.3
372.18472	2.8
385.18991	21.2
390.19556	19.4
396.81244	1.4
408.20593	2.0
463.23685	2.3
559.28284	1.4
561.31042	11.9
659.38330	35.7
660.38049	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	659.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
53.03938	5.3
55.01870	3.8
55.05503	10.4
57.03430	21.6
57.07058	1.8
59.04969	1.1
61.02917	81.3
65.03923	2.2
67.05495	35.3
69.03421	33.3
69.06767	0.8
69.07063	8.7
71.01325	3.4
71.05000	4.4
71.20520	2.3
73.02907	27.6
75.04480	1.7
79.05482	25.4
81.03410	22.9
81.07047	35.4
83.01328	1.8
83.04970	5.1
83.08605	4.7
83.16277	0.9
85.02893	100.0
85.06532	1.5
87.04440	3.6
91.03941	58.1
91.05464	16.9
93.07032	27.9
95.04931	4.6
95.08595	25.4
97.02878	69.4
97.06508	3.4
97.10131	2.2
98.03192	0.8
99.04446	12.6
101.02350	8.6
103.03929	7.5
105.07005	10.5
107.04919	1.1
107.08582	16.0
109.02866	12.9
109.06497	2.6
109.10137	12.9
111.04446	2.4
115.03919	6.6
115.05402	0.8
117.05489	2.6
117.06979	5.8
119.08564	10.1
121.06500	1.0
121.10133	12.7
123.08053	1.9
123.11697	5.3
125.09622	1.6
127.03896	34.1
128.06194	0.9
129.05460	5.2
129.06961	1.1
131.08548	8.7
133.06487	0.9
133.10097	7.1
135.08026	1.0
135.11690	10.3
137.09595	0.9
137.13225	1.5
137.42035	0.7
143.08591	1.4
145.04938	24.3
145.10109	8.4
147.06505	0.9
147.11674	7.2
149.02315	1.0
149.09593	1.1
149.13263	5.4
155.07059	1.2
155.08611	1.2
157.10097	1.8
158.10947	0.8
159.06511	2.3
159.11662	5.8
161.09514	1.3
161.13216	3.9
163.05991	6.7
163.14806	2.6
169.10107	1.6
171.06519	1.1
171.11694	1.7
173.13260	5.1
175.14842	1.7
183.06544	4.8
183.11641	1.0
185.13252	2.2
187.11102	0.9
187.14774	3.1
197.13321	1.1
199.14857	1.4
201.07524	3.5
201.16472	1.7
233.22627	0.9
241.19620	0.8
243.20990	5.2
259.20575	1.0
261.22101	15.2
273.21991	0.9
275.20139	0.9
289.21732	1.0
303.23181	1.3
313.21594	1.3
315.23065	2.1
317.24573	1.1
327.23126	1.3
333.23813	0.8
335.25754	58.2
363.25146	3.0
369.24347	1.7
405.26468	1.5
443.27670	3.2
461.28897	2.5
479.30042	7.6
480.94763	1.1
497.31116	1.4
659.35883	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	659.2257
Annotation	Sorocein B
Peak:m/z	Relative Intensity
55.41458	11.0
66.87598	11.6
67.05513	12.8
70.73021	41.7
73.47902	12.8
73.77737	11.0
81.07066	21.0
133.08566	14.8
177.06448	13.6
190.96645	12.3
191.70554	15.8
212.02594	14.3
254.75371	12.3
347.21631	13.9
374.05627	12.6
635.12665	14.6
659.22931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
50.68343	0.1
51.02381	0.3
55.01870	0.3
68.99776	0.1
69.03421	0.2
69.84000	0.6
71.01380	0.1
79.01393	0.2
79.01851	3.1
81.03413	0.5
85.02900	0.4
91.05479	0.5
97.02871	0.9
103.03934	1.4
103.05398	0.2
107.01339	0.7
109.02876	1.0
119.04974	0.6
121.02825	0.1
123.00816	0.1
125.02345	3.1
127.03921	1.0
131.04921	0.1
133.02921	0.1
137.02328	0.2
143.03395	6.3
145.04930	0.1
147.04416	0.7
153.01823	100.0
153.02763	3.7
154.02155	0.8
159.04414	0.3
163.03900	0.6
165.01906	0.2
169.04958	1.0
175.03893	1.2
175.05275	0.1
177.05455	0.2
179.03371	0.1
187.05949	0.2
191.03389	1.4
195.02879	0.3
205.05006	0.6
207.02977	0.3
207.06517	2.3
207.08379	0.2
209.04529	0.5
217.04919	0.2
219.02852	0.3
228.10208	0.1
229.04979	0.2
233.04405	1.0
237.03943	4.2
257.04376	0.3
261.03940	2.3
267.05103	0.2
279.04941	1.4
291.13223	0.5
297.06097	0.7
303.04987	4.3
311.46207	0.1
315.04977	0.1
321.06082	0.2
327.04828	0.2
339.07248	1.0
345.05902	0.5
357.08197	2.6
411.06863	0.1
489.10184	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	659.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
51.10260	0.1
55.01875	0.2
56.96553	0.2
60.80989	0.1
66.01527	0.1
68.99789	0.4
69.03404	0.2
70.66048	0.3
70.66418	0.3
70.99984	0.1
76.71362	0.1
77.54593	0.1
79.01839	1.0
81.03414	0.2
83.14509	0.1
85.02894	0.2
85.97919	0.1
97.02905	0.2
98.21462	0.1
103.03913	0.4
107.01295	0.3
109.02855	0.5
121.02862	0.4
125.02327	1.0
127.03902	0.4
134.99655	0.1
139.03908	0.2
140.14330	0.1
143.03398	2.0
145.06464	0.3
147.04424	0.2
149.02344	0.6
150.03088	0.8
153.01816	32.8
154.02161	0.2
155.04854	0.2
157.06348	0.2
159.04411	0.5
161.05942	0.2
163.03877	0.5
165.01852	0.4
169.04912	0.2
171.04445	0.2
173.02504	0.2
173.05933	0.8
175.03946	0.2
177.05472	0.2
179.03374	0.4
183.04395	0.3
187.03931	0.5
191.03409	1.0
201.05496	1.0
203.03339	0.2
205.04974	0.4
213.05508	0.3
215.03389	0.3
219.03096	0.2
229.04945	3.7
233.04440	0.3
237.04013	1.4
247.05981	0.4
257.04440	3.3
261.03900	0.5
277.03427	0.4
279.05099	0.4
285.03949	0.2
297.06000	0.3
302.03644	0.1
303.04965	100.0
304.05307	1.6
339.07126	0.6
357.08224	1.5
648.10779	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	658.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
57.07076	52.9
61.17986	1.5
67.05509	5.2
69.07061	6.9
69.35668	9.1
69.36094	5.7
71.08630	56.4
73.06551	10.2
79.05482	3.3
81.07056	4.6
83.08607	3.7
83.97664	1.4
85.10184	34.6
87.04472	9.6
89.06027	100.0
90.12968	1.7
91.05499	1.9
93.07056	2.2
95.04989	1.7
95.08617	4.2
96.49467	1.5
97.10182	3.8
99.11752	6.1
101.95157	1.5
106.43523	1.5
107.07065	5.6
110.24982	1.4
111.11723	3.4
113.13310	7.6
116.67580	1.4
117.09131	9.7
125.13238	2.7
127.14825	2.9
127.54653	1.5
128.14514	1.5
130.08618	4.3
131.07068	3.8
133.08600	73.6
161.11691	3.0
162.89888	1.5
175.09660	1.7
177.11227	31.5
177.12698	2.8
221.13847	6.0
227.23654	2.2
239.14867	1.5
259.74963	1.7
271.26337	4.8
283.17462	2.0
315.28986	6.6
327.20255	2.8
459.27948	5.0
517.38849	6.7
597.45111	2.1
641.48468	7.5
658.50574	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	659.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
55.01864	0.2
59.11877	0.1
59.94587	0.1
68.99794	0.3
69.61787	0.3
69.62207	0.9
70.06575	0.1
78.72738	0.1
79.01833	1.0
81.03422	0.2
83.04042	0.1
85.01416	0.1
95.01292	0.1
97.02868	0.2
102.74377	0.1
103.03915	0.3
107.01335	0.2
109.02859	0.6
121.02882	0.2
123.98389	0.2
125.02355	0.9
126.57930	0.1
127.03867	0.2
143.03386	1.5
149.02304	0.6
150.03070	0.6
153.01805	31.8
154.02165	0.6
159.04346	0.4
163.03883	0.4
165.01759	0.5
169.04903	0.4
171.04372	0.2
173.06010	0.6
177.05356	0.2
178.89453	0.1
178.94029	0.1
179.03331	0.2
183.04329	0.2
187.03984	0.2
191.03371	0.9
201.05417	0.8
203.29117	0.1
205.04933	0.6
209.04349	0.2
213.05428	0.2
215.03362	0.2
219.02844	0.3
219.06528	0.2
229.04935	2.7
233.04417	0.2
237.03912	1.4
247.06047	0.4
247.37881	0.2
257.04425	2.6
261.03857	0.8
279.04916	0.6
285.04034	0.2
303.04938	100.0
304.05301	3.1
339.07065	0.7
357.08090	2.1
369.92587	0.1
555.18048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	0.4
65.71957	0.3
67.05479	0.5
69.03422	0.6
69.07069	0.5
70.06555	0.5
71.13971	0.9
72.08156	0.8
81.03416	0.5
81.07056	1.1
85.02924	0.9
86.09722	0.8
89.75212	0.4
91.05495	0.6
94.06858	0.4
95.08591	0.8
97.02888	0.8
100.12920	0.3
103.05445	0.4
109.02921	0.4
119.04960	0.7
119.08593	0.4
121.10177	0.4
127.03963	0.7
134.99681	0.4
137.05981	0.5
142.87027	0.4
145.02895	0.5
147.04427	0.7
151.07503	0.6
153.01851	1.6
163.03941	0.7
173.15231	0.4
175.03780	1.1
176.04521	1.0
177.05350	0.6
189.05312	0.9
200.04265	0.4
203.03235	0.8
205.04713	42.5
207.06599	0.7
217.04713	0.5
218.05490	9.4
219.06242	2.5
223.05771	0.4
232.07042	8.3
233.07942	1.3
234.08601	7.6
246.07600	0.4
247.09460	5.8
249.07355	1.4
253.09578	0.4
290.06433	0.4
299.05511	0.7
302.04245	0.6
309.27805	0.5
317.06616	1.3
415.13614	7.7
427.13770	0.6
429.15198	13.4
445.14603	0.8
460.17120	1.2
461.17993	0.9
462.09433	1.2
465.11749	0.7
477.12073	1.6
481.83749	0.4
495.12854	1.0
507.12848	0.9
535.19196	0.8
561.13379	0.6
591.14783	0.5
609.23010	0.5
639.16632	0.5
657.25159	100.0
658.25226	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	657.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65088	0.3
67.05483	0.7
69.03416	0.6
69.07054	0.6
70.06580	0.6
71.41634	0.4
71.41953	0.5
77.73341	0.4
81.03401	0.7
81.07027	0.7
84.08166	0.4
84.60688	0.4
85.02883	0.5
91.05457	0.6
94.00555	0.3
95.08609	0.7
97.02276	0.4
97.02877	0.7
106.10912	0.4
107.08567	0.7
109.02859	0.5
109.10165	0.7
121.10117	0.6
123.11679	0.6
127.03950	0.5
145.02817	0.7
147.04428	0.7
149.05904	0.4
150.02975	0.5
153.01797	1.9
167.07071	0.7
175.03694	0.8
177.05421	1.4
189.05254	0.9
203.03200	0.8
205.04692	42.5
206.04941	0.6
207.06531	1.0
208.22166	0.4
217.04752	0.6
218.05481	8.9
219.06183	2.9
224.54959	0.4
232.07011	6.9
233.07875	1.3
234.08614	6.3
235.09415	0.5
244.19327	0.4
245.07948	0.5
246.07317	0.6
247.09392	6.5
249.07213	2.0
313.11905	0.8
401.11917	0.4
415.13620	7.9
429.15146	11.7
445.14865	1.0
460.17007	1.4
461.17847	0.9
627.23730	1.0
657.25049	100.0
658.25427	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	655.3115
Annotation	Moluccensin B
Peak:m/z	Relative Intensity
51.53460	0.6
53.49778	0.6
55.05510	1.1
57.03455	0.6
67.05522	1.1
71.53381	0.8
71.59669	1.3
81.07063	1.2
91.05494	1.0
95.04990	1.1
95.08605	0.8
98.22922	0.6
131.08621	0.9
141.11252	0.8
145.10179	0.8
164.56134	0.7
223.12466	0.9
225.13779	0.8
236.13469	0.8
239.15498	1.2
248.76541	0.7
249.13997	0.9
260.13168	0.7
261.05856	0.7
261.13870	1.1
261.89206	0.8
376.17438	0.9
377.17801	1.2
391.19574	1.1
392.20551	1.2
393.21234	1.1
405.17035	1.9
407.18204	1.0
407.22839	1.6
418.17905	1.0
419.18762	1.5
421.20578	1.3
423.21936	1.2
433.16205	2.0
433.20621	3.0
434.16537	1.0
434.21677	2.0
435.22293	4.2
437.23892	1.2
445.60400	0.7
447.17401	4.9
448.19147	2.8
449.19324	1.6
449.24261	1.0
450.20630	1.0
451.21091	1.0
461.18970	3.3
462.20804	3.2
463.21295	11.5
465.23389	0.9
474.50894	0.8
475.21707	2.2
476.22409	2.1
477.22833	7.5
478.24130	1.4
507.24316	2.3
509.25702	1.4
510.25967	1.1
520.25018	0.9
521.21265	1.0
521.25446	2.7
523.27631	1.3
534.22968	0.8
535.22900	5.7
537.25500	2.2
548.24371	0.9
549.25024	5.9
563.26776	4.1
564.26556	1.2
565.25195	2.3
567.29877	2.2
577.24890	1.9
580.26923	1.4
581.27417	1.6
591.26422	1.4
594.25104	2.5
595.28937	1.6
608.26874	2.2
609.27203	0.9
623.28625	55.2
624.29327	1.6
637.27271	3.2
640.28864	1.5
647.43018	0.9
655.31183	100.0
656.31421	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	653.2598
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
67.05491	4.8
80.68904	3.2
96.25701	3.5
101.69330	3.3
138.81033	4.5
184.07405	4.3
229.96484	5.3
265.26428	3.9
313.47723	3.7
330.90204	3.9
363.15793	3.8
377.17447	8.4
378.18442	4.8
390.17990	3.5
391.18997	11.5
393.20633	8.5
405.20752	10.7
407.22174	15.8
421.20309	11.5
435.21658	11.1
451.21045	4.8
459.18079	4.4
465.18994	11.0
466.19736	7.2
477.18854	4.5
479.20953	17.5
501.19287	8.9
505.18335	5.9
515.20917	8.1
516.21545	6.8
517.22284	28.9
521.25659	9.3
549.24872	45.6
551.22522	9.8
565.23895	10.9
566.25299	26.3
567.25610	4.9
575.22693	9.9
593.23615	12.6
595.71442	4.5
607.24762	6.2
609.26685	11.7
635.24976	100.0
653.25873	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96283	3.0
56.96560	43.8
67.05526	1.3
69.07053	2.4
69.69868	5.4
69.70302	4.6
71.95264	3.3
72.96028	1.9
84.96026	1.5
113.75156	1.4
123.01196	2.1
128.98628	3.9
133.01715	1.8
134.99684	2.1
137.02702	1.4
137.06004	1.4
139.41216	1.4
146.99623	6.5
155.03841	2.7
157.01730	2.3
159.03290	2.1
161.01247	2.5
165.00671	1.9
171.03287	4.3
173.04875	2.2
181.05266	2.0
183.03308	1.6
185.04883	4.3
189.04349	7.6
197.08562	1.6
199.06435	8.3
203.05940	9.9
205.07465	3.2
211.06392	5.6
213.07973	8.6
217.07484	19.6
223.08549	3.9
225.07927	7.8
227.09612	2.7
229.07414	8.7
231.07011	2.5
231.09015	13.2
237.04367	1.9
237.08005	4.9
239.09607	4.4
241.11267	1.9
243.09039	6.3
245.10570	3.9
247.08549	5.5
249.08018	4.4
251.09578	5.9
255.09024	25.0
257.10565	2.0
259.08749	1.7
267.08990	23.8
269.10574	45.3
273.10052	20.1
278.10641	3.5
280.09778	4.6
285.10049	33.9
285.12933	2.5
287.11609	20.6
290.10602	3.6
292.12183	3.9
298.10684	1.6
303.11136	5.0
308.11722	1.9
310.13483	1.9
331.15826	17.8
349.16840	76.5
367.17889	100.0
372.18500	6.0
385.18863	9.2
387.14984	1.9
390.19479	18.1
391.19580	2.0
485.21561	1.5
516.25989	3.7
556.29492	10.4
620.22131	1.6
654.36694	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	652.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
57.03421	0.5
69.03428	7.1
71.05003	0.4
71.59188	0.6
73.02891	1.3
81.03410	3.1
84.08202	0.4
85.02905	6.6
97.02880	1.2
99.04424	0.8
103.05444	0.7
105.07024	2.1
108.04472	0.5
109.02859	1.3
119.04884	0.5
125.25188	0.4
127.03911	6.5
131.04892	0.5
136.96921	0.4
147.04445	0.7
153.01785	1.1
157.02852	1.1
173.02466	0.4
175.03851	1.7
185.02330	0.7
187.03873	4.1
191.03413	0.7
201.01917	0.7
203.03325	3.2
213.01784	3.0
215.03391	4.3
219.02937	0.7
229.01251	0.7
230.02051	0.5
231.02873	17.9
231.05202	0.9
241.01318	2.7
247.02441	0.9
248.12720	0.4
257.00815	1.0
259.02359	30.9
260.02637	0.9
275.01898	1.4
276.02563	1.1
277.03418	100.0
278.03723	1.7
280.15350	0.9
303.01331	16.7
321.02426	4.6
363.03391	3.3
385.05295	0.9
402.04251	0.4
429.04810	0.6
465.06546	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01871	2.9
55.05303	2.4
55.05515	27.2
57.03441	12.1
57.07060	7.4
59.05005	3.0
59.95638	2.8
61.02938	2.8
64.19277	2.4
65.03934	3.1
67.05508	100.0
67.09169	2.3
69.03435	23.7
69.07070	13.7
70.78671	6.4
71.04985	7.7
78.87222	2.4
79.05494	32.2
81.02982	3.7
81.03421	50.2
81.07059	58.3
83.04979	18.4
83.08604	12.9
85.02900	8.8
85.06538	3.5
87.74391	2.4
91.05476	25.7
93.07041	32.7
95.04959	11.1
95.08604	35.0
97.02888	19.3
97.06535	6.6
97.10165	10.9
99.04478	4.6
99.08053	2.9
103.03939	2.6
105.07031	23.2
107.04921	2.8
107.08598	23.0
109.02863	8.4
109.06500	4.2
109.10154	56.3
111.04425	8.8
111.08075	4.2
117.07026	10.1
119.08567	18.9
121.06524	4.7
121.10168	11.6
123.08100	3.2
123.11703	5.3
125.09624	10.9
127.03903	10.6
128.06232	3.0
129.05463	10.1
129.06995	6.2
131.08580	18.8
133.10117	12.8
135.08054	7.6
135.11682	8.9
137.09583	4.3
141.06989	3.8
143.08554	8.4
144.71758	3.1
145.06531	4.0
145.10106	12.1
145.58676	2.3
147.08051	3.6
147.11697	9.2
149.09587	2.8
149.13222	9.5
151.07552	3.3
155.08595	4.8
157.10123	10.0
159.11699	10.1
165.12730	2.5
169.10101	4.7
171.11659	6.2
173.11723	21.5
173.13182	6.0
175.11191	2.8
183.11714	3.4
184.07332	3.3
185.13327	3.4
187.11284	2.9
189.11215	8.6
193.12132	2.3
197.13234	3.0
223.14714	3.0
227.12663	12.5
229.14345	31.4
243.20932	2.8
245.13658	2.9
261.22247	4.3
299.14767	4.3
301.21542	6.1
315.23032	2.7
323.23993	2.8
330.95157	3.7
335.25754	6.0
337.27365	8.5
345.24194	3.5
351.23022	5.9
369.24155	10.4
371.16977	6.0
373.18500	8.4
387.25269	4.6
405.26419	4.1
443.27734	3.2
461.29056	6.5
463.30591	2.5
479.29822	3.4
489.35840	8.0
505.34769	4.1
597.36945	5.8
615.38776	5.2
633.39893	16.4
651.41071	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01868	5.4
55.05256	2.2
55.05510	30.3
55.68029	1.4
57.03433	9.3
57.07062	5.3
59.04985	2.3
62.86789	1.5
65.03941	3.4
66.39410	1.6
67.05502	100.0
69.03427	26.4
69.07060	18.2
69.80637	5.2
69.81050	3.4
71.04991	9.6
73.02921	2.0
79.05492	29.7
81.03411	57.5
81.07054	54.9
81.07436	0.9
83.04980	21.2
83.08613	13.9
85.02905	4.6
85.06554	2.9
91.05479	29.6
92.82975	1.7
93.07045	30.4
95.04964	8.7
95.08606	44.9
97.02885	22.0
97.06518	4.2
97.10164	19.3
98.21449	1.9
99.04465	5.9
99.08087	1.8
105.07022	23.7
107.04942	3.7
107.08575	22.2
109.02893	8.7
109.06526	2.8
109.10153	49.8
111.04449	10.1
111.08078	3.6
117.07012	11.1
119.08578	15.4
121.06483	1.9
121.10143	15.2
123.08073	3.2
123.11676	7.6
125.09628	15.1
127.03925	11.1
129.05521	11.6
129.06975	8.4
131.08557	15.2
133.06523	2.2
133.10104	10.4
135.08054	3.7
135.11671	7.4
137.09631	3.4
141.06978	2.4
143.08545	7.1
145.06451	2.4
145.10161	10.0
147.07980	2.5
147.11717	9.1
149.09642	4.0
149.13263	4.7
151.11180	1.6
153.09163	1.6
155.08548	3.0
155.10616	2.1
157.10139	6.0
159.08070	1.8
159.11679	10.1
161.09708	2.3
161.13257	5.5
163.14815	3.3
169.10066	2.6
171.08026	2.3
171.11717	5.3
173.09724	2.2
173.11734	15.2
173.13284	6.4
175.11282	2.4
175.14847	2.0
183.11612	3.7
184.07393	2.2
185.13284	5.0
187.14839	2.1
189.11246	14.1
191.14287	2.3
197.13348	2.2
199.14824	2.6
213.16353	1.9
227.12720	14.1
229.14339	20.0
241.68843	1.7
245.13841	5.2
258.04626	1.7
259.20633	2.9
261.22131	5.6
263.23703	4.5
277.21796	1.9
289.46088	1.5
299.14911	1.9
301.21524	3.1
303.23120	2.2
315.15759	1.8
315.23224	2.1
317.24982	1.9
335.25812	9.7
337.27411	10.9
341.24924	2.5
351.23203	3.9
369.24246	7.1
371.16943	6.5
373.18646	5.9
387.25244	5.1
405.26443	3.4
443.28134	2.1
461.29230	2.3
479.29938	3.9
489.35687	6.3
507.36841	4.7
597.37781	3.3
615.39417	5.1
633.39624	13.1
651.41003	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	651.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.4
55.01844	5.5
55.05501	28.8
57.03413	11.6
65.03928	6.3
67.05497	100.0
69.03413	24.0
69.07053	15.9
69.51028	35.7
71.04966	7.3
71.87145	4.1
76.65749	4.3
79.05477	36.9
81.03409	60.2
81.07052	68.7
83.04974	34.0
83.08607	18.4
85.06576	4.2
89.31944	4.6
91.05470	20.3
93.07043	31.1
95.04950	9.3
95.08592	52.9
97.02878	18.0
97.06538	4.4
97.10141	17.4
99.04411	7.2
105.07012	19.8
107.08598	23.0
109.02853	11.0
109.10139	53.2
111.04420	10.6
117.07023	9.4
119.08586	18.8
121.10139	17.0
123.11686	4.7
125.09584	14.4
127.03899	15.1
129.05440	14.2
129.06963	5.7
131.08530	15.3
133.10121	14.5
135.11665	11.2
143.08580	7.8
145.10098	12.0
147.11653	7.0
149.13210	4.4
159.11636	7.5
161.13289	5.9
173.11731	11.7
189.11205	17.3
197.09764	3.8
227.12685	18.9
229.14305	18.5
245.13670	5.5
259.20477	5.2
261.22144	5.4
335.25861	9.5
337.27374	19.0
369.24246	9.1
371.17258	4.9
373.18347	5.6
392.44724	6.0
439.73303	4.3
507.36554	5.8
615.39355	6.1
633.39624	11.5
651.40491	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	651.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03239	0.4
67.05497	0.9
81.03429	0.8
81.07056	1.1
83.66520	0.5
93.07064	0.5
93.66471	0.6
95.08589	0.8
98.20706	1.2
105.07008	0.6
107.08590	0.6
109.10135	0.7
111.94760	0.5
117.06970	0.6
136.79126	0.5
245.41614	0.6
271.86121	0.5
301.21262	0.6
412.67102	0.6
640.18085	0.6
651.40680	100.0
652.40869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.7
58.06328	0.3
58.06610	0.5
60.08164	6.1
67.05494	0.8
70.01604	1.4
70.02012	0.9
71.07375	2.6
86.09702	31.6
89.58193	0.4
98.21379	0.6
98.98463	3.0
104.10747	2.0
109.10183	0.4
110.84745	0.3
125.00003	22.1
132.45499	0.4
184.07333	100.0
406.39233	0.5
485.61896	0.5
500.97324	0.4
509.38147	0.9
614.68701	0.4
650.43958	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	649.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93838	0.2
63.33091	0.2
70.00533	1.1
80.86032	0.2
85.80869	0.2
97.89484	0.2
102.40062	0.2
104.05416	0.2
104.27377	0.2
109.02607	0.2
121.96965	0.2
121.97965	0.2
124.35015	0.2
127.03671	3.1
141.05255	0.5
146.07034	0.9
153.01788	0.3
155.03186	0.3
156.03909	0.2
167.95705	0.2
168.38626	0.2
169.04666	1.5
171.02617	0.7
173.04224	0.7
185.04189	0.4
187.05817	0.4
189.08861	5.6
215.05334	0.3
229.06807	1.1
244.12831	0.2
246.44537	0.2
257.06448	0.3
267.39655	0.2
273.09573	0.4
301.08749	1.2
317.08499	1.2
333.07956	1.1
337.12463	2.5
352.14914	1.2
355.18875	0.6
361.11008	20.4
469.16791	17.0
470.17209	0.3
483.18738	0.2
484.19095	17.2
517.24121	1.4
537.23169	0.5
649.28198	100.0
650.28516	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	649.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55016	0.2
50.76851	0.2
52.05877	0.2
53.88831	0.2
69.03452	0.2
70.06583	0.3
70.79971	0.3
70.80299	0.5
75.87874	0.2
78.21207	0.2
81.07038	0.3
85.02905	0.5
93.07026	0.4
95.08588	0.4
97.02656	0.3
105.06979	0.4
109.02720	0.3
113.02160	0.3
127.03673	2.9
132.88820	0.2
133.10159	0.3
141.05244	0.4
143.03355	0.3
146.07051	0.7
153.01813	2.5
155.03278	0.3
159.06300	0.3
159.07729	0.2
163.07602	0.3
169.04712	2.4
171.02676	0.9
173.04230	0.9
185.04294	0.3
187.05823	0.4
189.07153	0.4
189.08847	6.8
207.06546	0.3
215.05315	0.4
220.97995	0.2
229.06953	1.4
255.08675	0.3
257.06400	0.3
301.03427	0.2
301.08890	1.4
317.08401	1.5
328.73111	0.3
333.07816	1.6
335.09546	0.4
337.12512	2.9
352.14844	1.2
355.18796	0.6
361.11014	22.9
469.16779	19.6
470.17526	0.3
483.18503	0.5
484.19119	19.4
485.19431	0.4
516.18164	0.3
517.23987	1.3
649.28235	100.0
650.28821	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	647.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02382	0.8
53.03936	1.4
54.35641	0.3
55.01868	0.7
57.03422	1.2
59.04997	0.5
61.02913	1.5
61.82739	0.3
67.05521	0.4
68.99799	0.4
69.03425	9.2
69.07097	0.4
70.06593	0.9
70.75582	0.6
70.75982	0.6
71.04989	1.6
72.08131	0.4
73.02916	0.7
79.01846	4.1
80.28883	0.3
81.03416	4.7
81.07045	0.5
83.01347	0.4
84.04505	0.4
84.08129	1.2
84.98759	0.3
85.02897	11.3
87.04456	0.8
91.05460	0.6
93.07075	0.5
97.02886	17.8
99.04443	2.6
105.07027	0.5
107.01302	1.2
107.08597	0.3
109.02872	3.5
115.03961	0.5
119.04945	0.6
120.08044	0.5
125.02347	3.4
125.05920	0.3
126.03139	0.5
127.03910	5.1
131.04884	0.3
133.10098	0.3
137.02277	0.4
137.05951	0.6
143.03392	6.6
145.02861	0.6
145.04956	6.6
145.06125	0.3
147.04405	0.9
149.09662	0.3
153.01819	94.8
153.82516	0.3
154.02147	0.7
166.02615	1.3
171.02872	4.2
175.03867	0.6
177.05460	0.9
188.04599	0.4
191.03487	0.4
193.01382	0.3
203.03271	0.3
206.05771	0.4
207.06529	1.2
208.03647	0.4
216.04134	1.0
219.02869	2.4
220.03627	0.5
230.02167	0.6
233.04472	0.4
234.05153	0.4
243.02745	0.4
244.03600	3.7
245.04390	2.5
261.04022	1.4
272.03183	1.4
273.03845	1.3
287.05499	1.1
289.03445	2.0
290.04187	3.6
297.06049	0.7
299.08060	0.3
301.03452	4.7
305.06744	0.3
315.07034	1.2
317.02905	7.2
318.03683	49.0
319.04138	1.0
332.04935	0.3
333.06018	100.0
334.06357	1.6
334.09869	0.3
361.05640	1.5
431.83804	0.3
485.07114	32.6
486.07440	0.7
495.11411	2.1
647.12555	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	646.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.05497	4.3
57.03433	0.7
57.06824	1.0
57.07072	13.6
67.05502	8.1
69.07057	3.2
71.08620	9.6
71.11301	0.9
71.11629	0.9
79.05096	0.7
79.05483	3.8
81.03408	28.3
81.07053	9.6
81.72246	0.8
83.04986	0.8
83.08609	9.0
85.10177	5.7
91.05474	6.8
93.07034	2.5
95.04949	8.7
95.08592	8.2
97.02901	1.1
97.10162	1.5
98.03900	0.6
105.07021	3.7
107.04956	1.9
107.08596	1.0
109.06541	1.0
109.10168	4.0
111.08092	2.0
113.88383	0.7
119.04836	0.7
119.08570	4.2
121.06538	1.0
121.10145	1.1
123.11660	1.3
129.06978	3.1
131.08595	3.2
133.06474	1.2
133.10135	0.9
142.07764	0.8
147.08008	1.2
147.11668	2.3
149.09589	1.2
157.10127	2.4
168.12329	0.6
175.11180	3.5
193.12199	8.0
235.35829	0.6
236.16422	3.5
238.25325	0.7
239.23730	2.6
249.14946	3.2
267.15802	1.9
282.27881	1.3
299.66425	0.7
313.27353	1.7
371.19202	0.7
451.94357	0.7
487.01553	0.7
505.38824	100.0
506.39304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.124
Annotation	3-O-(E)-Caffeoyl-1,4-di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.01588	0.2
51.02374	0.4
53.00301	0.2
55.01869	0.3
56.13977	0.1
61.02929	0.1
68.99767	0.1
69.03423	8.3
69.66699	0.7
79.01848	3.2
79.05482	0.1
81.03402	0.5
82.99522	0.1
84.12694	0.1
85.02886	0.6
86.96333	0.1
87.00801	0.1
91.05489	0.2
97.02881	1.6
99.04447	0.4
105.07095	0.1
107.01305	0.9
107.04920	0.2
109.02856	1.3
117.03349	0.1
119.04954	0.3
122.62930	0.1
123.00822	0.2
123.04411	0.2
125.02329	2.7
126.03110	0.2
126.99123	0.1
127.02946	0.3
127.03905	5.3
131.04916	0.5
133.02846	0.2
135.04369	0.2
137.02296	0.2
139.03905	0.4
139.13326	0.1
143.03383	5.6
145.02859	0.1
145.04953	0.2
147.04431	0.5
151.03877	0.6
153.01813	100.0
154.02165	0.8
159.04349	0.8
161.05980	0.3
163.03880	1.8
165.01860	0.2
165.05496	0.2
166.02574	0.3
167.03281	0.1
171.02888	1.8
171.04247	0.2
175.03862	0.6
177.05449	0.4
179.03392	2.1
179.07019	0.2
181.01321	0.8
181.04834	0.1
183.02837	0.5
187.03871	0.3
188.04718	0.2
191.03374	3.0
193.01312	0.2
193.04929	0.5
195.02846	0.8
197.04456	0.1
203.03351	0.1
205.04932	1.4
207.02867	2.2
207.06612	0.1
208.03757	0.1
209.00893	0.2
209.04449	0.9
211.02353	0.2
215.03398	0.4
216.04135	0.2
217.04951	0.4
219.02902	1.2
220.03732	0.2
221.04462	0.5
223.02402	0.4
223.05884	0.2
225.03825	0.1
230.02150	0.2
231.02849	0.2
233.04420	1.7
235.02463	0.2
237.03923	4.3
243.02820	0.2
244.03659	0.9
245.04443	0.4
249.03954	0.3
251.05334	0.6
261.03867	1.1
267.05011	0.4
272.03131	0.4
273.03815	0.3
279.04965	0.9
289.03391	0.4
290.04123	0.8
297.06015	3.4
301.03384	1.3
315.07050	4.4
317.02884	1.4
318.03668	11.4
319.04123	0.1
333.06012	25.7
334.06396	0.3
357.06134	0.1
375.07236	0.1
438.14563	0.1
467.81052	0.1
647.11597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50370	3.4
69.55461	18.0
69.55884	14.0
76.90884	3.9
81.72540	4.5
99.91132	3.7
200.34662	3.7
328.65924	4.1
343.53610	4.5
390.56674	4.4
645.24719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53792	0.5
61.69104	0.6
70.49590	0.5
71.25243	1.0
179.37482	0.5
196.93001	0.5
249.29489	0.5
259.72552	0.6
401.17630	0.8
402.18271	0.8
403.19147	2.2
404.20691	0.7
415.19580	0.9
416.20386	0.6
417.20734	3.0
418.21451	1.2
428.20535	0.6
429.16971	1.8
429.21957	0.7
430.17587	1.0
431.18692	3.5
431.23401	1.1
432.23807	0.7
433.23895	6.7
444.19174	4.3
445.19617	5.7
446.20978	1.7
458.20786	0.8
459.21732	44.7
460.22379	8.4
461.23456	6.7
470.19614	1.4
473.23523	3.0
474.23917	0.8
476.21924	0.7
487.20578	1.0
487.25665	0.9
491.24210	1.1
505.26215	1.3
513.95313	0.6
519.23529	8.6
531.24109	2.8
532.24915	0.8
543.37189	0.6
546.26233	2.2
547.26965	28.0
548.26642	0.8
563.26306	1.5
574.25623	2.6
576.23523	0.7
591.25696	2.5
606.28296	100.0
607.28479	3.2
617.26361	1.6
644.23792	0.5
646.31372	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	644.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05496	1.6
57.03416	2.0
57.07072	1.7
65.61973	1.0
67.05489	5.1
67.45708	1.1
69.03439	8.9
69.07060	4.6
69.34118	1.1
71.59544	1.4
71.59937	1.2
79.05112	1.5
79.05494	14.9
81.07047	7.6
83.04968	2.8
85.02892	7.4
87.04464	3.6
91.05482	9.5
93.07034	15.6
95.04942	3.8
95.08608	4.0
97.02898	6.0
97.06518	2.4
104.18016	1.3
105.07024	13.3
107.08595	12.8
109.02827	2.1
109.06496	3.7
109.10147	19.5
111.04440	5.3
111.08070	1.6
115.03918	4.6
117.06989	2.4
119.04899	1.5
119.08591	9.4
119.10814	1.3
121.06484	1.5
121.10147	21.7
123.04428	7.2
123.08075	1.8
125.06008	6.3
127.03890	1.5
131.08601	6.9
133.04959	4.5
133.10120	13.2
135.08064	3.5
135.11690	4.8
137.05984	4.0
137.09605	33.9
139.11182	2.1
143.08615	2.1
145.02888	1.6
145.10109	3.6
147.04387	1.7
147.08026	4.1
147.11679	1.9
149.09608	25.1
149.10741	2.2
151.11166	3.2
153.01825	3.4
153.09097	2.1
157.10126	3.0
159.11674	2.8
161.09608	5.2
161.13287	2.1
165.09106	4.7
167.07065	6.3
167.10651	7.4
168.07413	1.6
171.11662	2.9
173.13222	2.2
177.05579	2.3
179.10661	12.3
187.14798	1.7
199.15024	1.2
205.12251	2.2
207.06531	1.6
208.25958	1.4
209.13255	1.7
217.12207	3.1
231.13771	2.0
241.12146	1.5
252.31963	1.2
255.13718	3.8
257.15387	1.6
259.13458	1.4
261.89893	1.2
285.18616	1.8
287.20016	8.0
297.18500	11.3
315.19537	100.0
324.89325	1.2
327.13242	1.5
333.20572	72.3
417.14835	1.8
418.15561	2.0
427.32999	1.4
536.68597	1.2
552.78827	1.5
617.39630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05516	1.5
57.03440	2.3
59.04991	0.8
59.06880	0.4
61.02909	0.5
65.03914	0.6
67.05500	7.7
67.28374	0.4
69.03422	6.2
69.07070	1.5
79.05484	7.5
81.03420	0.9
81.07053	9.5
83.05000	0.6
83.08614	1.5
85.02895	4.7
87.04456	3.6
91.05471	7.7
93.07037	16.1
95.04957	2.3
95.08597	4.0
97.02885	4.4
97.06508	0.7
103.05432	0.5
105.00729	0.4
105.07025	11.2
107.04936	1.1
107.08588	11.4
109.06520	3.6
109.10151	33.4
111.04426	3.0
111.08075	1.2
115.03918	4.1
117.07033	1.3
119.05035	0.6
119.08572	9.2
121.06554	2.1
121.10135	72.7
122.07365	0.7
122.10445	0.8
123.04411	0.8
123.08073	3.7
123.11693	2.4
125.05982	2.0
127.03937	0.6
128.06204	0.5
131.08583	2.6
133.04980	3.6
133.06465	0.6
133.07530	0.7
133.10121	8.1
135.08052	4.5
135.11673	5.6
136.08852	1.3
137.05980	1.2
137.09610	20.6
139.07555	0.4
143.08574	2.2
145.10123	3.0
147.08041	3.6
147.11687	3.4
149.09610	52.0
149.86566	0.5
150.10321	0.9
150.58475	0.5
151.07558	0.6
151.11156	3.8
153.01787	0.6
153.09088	1.0
155.08519	0.7
157.10219	2.4
159.08078	0.7
159.11665	3.0
161.09599	3.6
161.13219	1.2
163.11160	1.0
165.09111	2.0
167.08609	0.5
167.10699	1.1
169.10066	0.9
171.11664	2.7
172.12398	0.7
173.09575	1.1
173.13258	1.4
175.11232	0.9
175.14781	1.0
177.09106	0.7
177.16435	0.5
179.10664	1.7
181.10248	0.5
183.11719	0.6
185.09575	0.6
185.13152	2.3
187.11160	1.2
187.14795	1.8
189.12744	1.0
189.16362	1.2
191.10716	0.7
195.11700	1.1
197.13208	0.7
199.11215	1.6
199.14825	1.4
201.12747	0.7
205.12225	1.1
213.12761	1.5
217.12250	1.2
227.17955	1.4
231.13710	1.4
237.16310	1.1
241.19540	1.5
251.17995	1.0
255.17513	1.1
269.18976	3.5
273.18396	0.7
279.17468	1.5
285.18484	0.7
287.20016	13.9
297.18381	4.0
315.19531	100.0
316.19901	2.1
333.20578	82.0
334.20789	1.5
346.22269	0.6
625.10223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.3
55.01868	10.9
55.05507	35.6
57.03437	41.8
57.07079	6.1
57.70411	4.8
65.03929	7.7
67.05499	100.0
68.81962	4.2
69.07061	40.0
69.80286	4.3
71.04963	15.6
78.61510	4.3
79.05483	87.2
79.05909	9.7
81.03426	8.7
81.07048	89.8
83.04985	6.3
83.08605	19.0
85.06520	16.3
91.05469	77.9
93.07034	90.1
95.04948	20.9
95.08593	64.2
97.06515	19.7
97.10213	6.2
98.21519	12.0
98.48071	4.1
99.08073	42.2
105.07018	65.7
107.04944	14.3
107.08575	48.2
109.06509	16.3
109.10143	30.3
111.08076	6.0
111.86665	5.0
115.07560	5.5
117.07017	27.2
119.08569	48.3
121.06512	9.6
121.10138	39.3
123.08045	8.0
125.09653	6.6
127.07526	17.9
128.06139	5.4
129.06992	15.9
131.08539	38.2
133.06494	7.0
133.10107	30.2
135.08049	17.9
135.11676	20.4
137.09618	8.2
143.08554	23.2
145.10133	23.1
147.08052	9.5
147.11705	17.6
149.09570	7.0
149.13254	7.7
155.08569	7.4
155.10622	8.0
157.10094	21.6
159.11690	21.8
161.09634	11.1
161.13284	10.8
163.11183	9.9
169.10168	12.1
171.11726	14.3
173.13295	9.1
181.10101	9.6
183.11575	6.9
185.13208	12.6
195.11571	6.7
197.13223	5.4
199.14795	7.0
217.15845	17.8
221.15320	6.4
245.18953	7.6
259.20532	9.3
273.18500	43.3
275.20117	6.4
291.19467	33.6
293.21069	15.9
333.24100	6.2
335.25824	51.2
347.22006	7.7
365.23151	13.9
495.47165	7.0
501.36014	6.0
541.37970	6.3
545.38232	9.2
551.40594	8.0
555.40363	5.7
607.43225	10.5
625.44464	26.9
643.45581	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01868	11.1
55.05505	12.2
57.03429	24.2
57.07063	2.0
65.03923	5.3
67.05498	66.5
69.07064	10.7
70.77843	4.1
79.05055	2.4
79.05488	37.1
81.03394	1.6
81.06576	2.4
81.07047	41.8
83.04964	3.1
83.08604	5.0
85.06536	11.4
86.59792	1.6
91.05472	31.3
92.05713	1.5
93.07032	36.3
95.04958	50.2
95.08045	2.3
95.08604	28.9
97.06525	4.6
103.05526	1.8
104.09610	1.6
105.07024	24.8
105.07694	2.8
107.04948	8.5
107.08582	19.8
109.06506	57.7
109.10147	8.9
111.08065	3.6
113.06005	28.4
115.05478	1.7
116.06206	1.6
117.07005	14.4
119.08574	11.1
121.06491	4.9
121.10124	12.0
123.08080	3.8
128.06264	2.2
129.06998	7.1
130.67625	1.6
131.08554	17.6
131.25772	1.6
133.06473	2.5
133.10072	7.4
135.08035	44.6
135.11682	6.8
137.09639	2.5
143.08556	8.1
143.09543	1.5
145.10098	12.7
147.08043	6.4
147.11711	2.6
149.09642	4.4
149.13199	2.9
157.10107	7.6
159.11687	6.9
161.09653	9.4
161.13219	2.4
163.11157	4.1
169.10065	2.2
169.55704	1.5
171.11682	4.6
173.13322	2.9
175.11223	3.4
177.12773	3.5
181.10100	1.8
185.13187	2.3
187.11229	2.0
195.11720	1.6
195.13745	1.7
199.14771	2.7
201.12779	2.2
217.15872	14.4
233.15483	2.1
237.16263	1.6
245.19019	2.7
255.17513	3.4
261.21994	2.2
273.18484	35.0
275.19797	2.0
291.19510	100.0
292.19769	3.1
308.64182	1.6
335.25787	36.4
336.26221	1.4
347.22220	5.1
365.23401	8.9
394.12061	2.1
528.06311	1.9
607.43567	3.5
625.44574	22.3
643.44647	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67646	0.3
64.36135	0.3
70.84899	0.7
88.29520	0.3
103.41488	0.3
105.60799	0.3
392.39978	0.3
643.25250	100.0
644.25714	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	643.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	2.0
67.05508	3.7
69.07053	1.3
71.59528	1.0
72.96464	0.7
77.00900	8.4
79.05482	3.3
81.07047	2.1
91.05473	1.8
93.07030	1.0
95.01945	7.2
95.08631	1.6
97.10152	1.4
105.07046	1.5
107.08617	1.6
109.06562	0.8
109.10140	1.4
113.00911	1.0
117.07001	1.0
119.08540	1.3
131.01874	3.0
133.03418	1.0
141.04042	0.7
145.03479	0.9
145.10071	1.0
147.04985	1.0
149.02983	1.7
151.02335	1.2
153.03996	0.8
155.05458	1.4
156.02689	0.7
157.03540	1.4
159.05058	2.2
159.11652	0.7
161.06540	0.8
167.05530	1.1
169.03450	2.7
169.07123	1.7
171.04926	1.6
173.06535	3.3
174.03760	1.6
181.07048	0.8
182.04221	2.2
183.04953	0.7
183.08679	3.0
185.06552	3.3
185.10255	0.8
186.07402	1.1
187.04544	1.3
187.08195	3.9
187.09662	0.7
191.07712	1.1
192.04893	0.7
195.04993	1.9
195.08728	1.8
196.05885	1.0
197.06587	1.2
197.10275	1.1
199.08159	1.7
201.09706	20.4
203.07661	1.7
204.08452	0.8
205.07361	0.8
205.09135	3.4
205.12692	1.1
206.07904	0.8
207.05011	1.3
207.08821	0.9
209.06598	1.8
211.08113	2.0
213.09695	23.1
214.06792	1.2
215.11261	3.9
219.10765	17.3
221.06593	1.0
221.10254	1.3
223.08200	7.0
223.11740	1.4
224.08925	7.5
224.11203	1.6
225.06085	1.1
225.09680	4.7
227.07617	1.6
227.11224	4.2
229.09195	2.1
231.10753	52.1
232.10884	0.8
233.10239	1.5
233.12306	1.6
235.07957	0.8
235.11778	1.1
236.11301	2.6
237.09703	0.7
239.11272	5.0
241.09200	23.9
241.12912	2.4
242.09987	16.2
242.12326	0.8
243.10741	13.1
243.14500	1.3
245.12337	2.8
247.10240	0.8
251.11224	8.2
253.12787	5.6
254.12303	3.2
255.10562	0.8
257.12219	8.6
259.10278	7.8
260.11081	6.7
261.11749	1.7
263.11264	1.9
264.11450	1.1
265.12939	1.4
266.12299	1.4
267.10785	3.1
267.14124	0.7
269.12326	18.1
271.13898	3.8
273.17136	0.9
274.12918	1.4
275.14810	1.0
279.14478	0.9
280.14203	0.8
281.12314	2.2
282.13092	1.6
283.13876	1.3
291.17996	2.2
292.14105	1.1
292.73996	0.8
293.16040	0.8
305.19531	0.9
309.15765	0.9
309.19019	0.9
313.16452	1.5
315.18027	16.3
317.44473	0.7
333.19061	48.4
334.19147	1.6
338.19540	0.8
338.44916	0.8
351.20139	100.0
352.20462	2.6
356.20749	4.0
367.19635	47.3
369.21185	5.6
374.21750	17.6
397.20764	4.6
407.22888	7.0
447.25842	0.8
471.29492	0.9
487.28818	1.6
505.30182	6.6
608.38995	0.7
625.39905	1.7
643.40833	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
59.26258	0.6
65.88779	0.7
67.05503	4.3
69.26063	9.2
73.49831	0.7
74.81451	0.7
79.05479	1.8
81.07052	3.1
90.88571	0.7
91.05486	1.7
93.07034	2.6
95.04947	0.8
95.08617	1.5
97.10219	0.9
97.37511	0.7
105.07025	2.2
107.08618	1.3
109.10126	1.3
119.08556	1.1
121.10146	1.3
133.10110	1.2
133.26450	0.7
135.07997	0.9
137.87410	0.8
145.10110	1.3
275.20102	0.9
291.20007	0.8
335.25717	0.9
396.12521	1.1
397.13043	1.2
410.13904	2.2
411.14676	4.8
412.15182	3.1
413.15848	1.0
423.14542	1.7
424.10919	1.4
424.15884	1.5
425.16165	7.2
426.16876	6.8
427.17462	1.4
428.18863	1.0
437.16394	1.8
438.12701	1.7
439.13330	6.3
440.18506	2.8
441.19293	25.2
442.19583	1.5
452.14664	3.1
453.15189	6.8
454.16556	2.4
467.17264	19.2
468.17816	8.4
469.18823	9.5
481.14862	9.9
482.15457	3.2
483.16681	0.9
485.18561	1.1
495.16992	2.3
496.17242	8.7
497.17880	2.2
509.18369	1.9
523.19604	1.5
527.22418	1.0
542.21454	1.6
555.22394	20.7
556.22583	2.0
583.21893	100.0
584.22186	8.8
587.25189	1.2
611.21429	1.8
615.24469	7.8
625.44635	1.3
643.23871	20.0
644.24200	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	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90410	0.2
55.05486	0.3
67.05470	0.6
69.07047	0.4
70.32490	0.5
70.32893	0.4
79.05473	0.5
81.07022	0.8
83.08614	0.2
91.05466	0.4
93.07003	0.8
95.08579	0.5
105.06984	0.3
107.08558	0.3
109.10145	0.3
111.08077	0.2
117.07017	0.3
118.32330	0.2
119.08515	0.3
121.10081	0.3
121.91203	0.2
129.06911	0.2
133.10056	0.3
133.21284	0.2
145.10065	0.3
147.11592	0.2
151.31412	0.2
159.11700	0.3
234.31012	0.2
273.18750	0.2
335.25726	0.3
367.80038	0.3
373.58987	0.3
382.10480	0.2
396.11920	1.0
397.12952	2.2
398.13556	1.1
399.14508	0.5
400.15506	0.2
409.13229	1.0
410.13727	3.3
411.14502	6.5
412.15189	3.5
413.15964	2.4
423.15085	1.7
424.11118	1.2
424.16141	2.5
425.16241	11.8
426.16849	8.9
427.17639	2.0
428.18494	1.5
429.15604	0.2
437.17120	1.2
438.12155	3.1
438.17749	0.8
439.13565	16.0
440.13834	1.2
440.19254	4.5
441.19250	37.8
442.15143	0.2
442.19742	2.3
443.17380	0.3
444.17966	0.4
451.18082	0.7
452.14276	4.1
453.15283	16.9
454.15979	4.5
455.16238	0.5
455.21524	0.5
456.18140	0.4
457.14551	1.1
458.15741	0.4
463.14096	1.0
464.14801	0.3
465.15402	0.7
466.11624	0.4
466.16647	0.9
467.17099	25.4
468.17838	16.0
469.18839	12.4
470.18726	0.5
471.16818	1.1
472.17252	0.8
478.16174	0.3
479.17093	0.3
480.18085	1.0
481.14566	13.0
482.15173	3.8
483.16205	0.6
485.18515	1.3
486.18961	0.6
494.17685	0.6
495.16898	3.3
496.17047	14.3
497.17899	2.5
498.18860	0.9
499.16373	0.7
499.19272	0.7
508.19153	0.8
509.18369	2.4
510.19016	0.6
512.20593	1.6
514.22656	2.7
522.17755	0.6
523.19830	1.7
524.20361	0.8
525.17084	0.3
526.18384	0.4
527.23621	2.8
528.23907	0.4
537.19067	0.8
539.19135	0.6
540.20160	0.9
541.20544	0.4
542.21381	0.7
551.18994	0.4
555.22363	34.0
556.22675	2.6
568.19623	0.5
573.23657	0.3
583.21857	100.0
584.22107	7.9
586.20142	0.4
587.25116	2.1
611.21295	1.8
614.23566	1.2
615.24457	13.7
616.24902	1.0
643.23865	62.5
644.24048	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03931	1.0
53.22270	0.5
55.01854	1.4
65.03945	4.1
67.05480	1.5
69.03416	0.9
70.06567	0.9
71.04959	0.6
71.17892	0.8
71.18230	0.9
78.04716	3.0
79.05493	2.8
81.03407	0.9
81.07034	0.7
82.04179	1.3
84.08157	0.6
85.02872	1.9
91.05469	4.1
93.03394	1.0
93.07018	1.2
95.04963	3.0
95.08552	0.7
97.06540	1.5
100.36340	0.5
103.05467	4.3
105.07008	2.6
106.04147	1.6
107.04961	4.5
108.02060	0.8
109.02850	0.6
110.03638	2.1
111.04417	1.4
115.05435	5.9
115.47043	0.6
117.07015	8.1
119.04896	1.6
119.08584	0.7
121.02837	1.9
121.06497	2.2
123.04413	8.5
124.05211	3.1
125.06012	1.2
127.05405	1.3
131.04892	2.3
133.06477	0.8
134.03641	0.7
135.04330	0.9
135.11690	0.6
137.02347	0.7
137.05968	2.4
138.03099	1.1
140.04648	0.8
142.02634	0.9
143.04897	0.7
145.02847	1.1
145.06468	17.7
147.04381	1.8
147.07986	0.7
148.05125	1.3
149.06000	3.4
151.03862	1.8
151.07530	1.5
152.04662	2.0
153.01788	1.5
153.05400	1.8
155.05998	2.9
159.04451	1.1
159.09294	0.6
161.05905	1.1
163.03993	1.1
163.07578	0.8
165.05482	0.6
167.07033	100.0
168.07439	1.6
168.84483	0.6
171.06471	2.8
173.05981	21.7
174.06473	0.6
175.07477	1.1
176.04578	0.7
177.05484	5.1
181.04948	47.3
182.05310	1.0
191.07076	2.9
192.07784	0.7
193.08636	0.9
195.06566	1.1
203.06990	2.3
205.08603	4.3
207.06474	1.1
209.08131	3.0
217.08600	0.8
222.06596	0.7
231.06496	1.2
233.08041	6.1
235.07478	1.1
235.09650	7.8
239.73903	0.5
250.06157	0.9
283.09692	0.7
287.05658	1.1
290.81982	0.5
293.07938	0.8
297.11227	1.0
300.75278	0.7
309.07578	0.7
310.08231	0.8
311.09201	0.7
325.10724	1.5
333.06265	1.1
353.10504	0.8
357.13315	5.1
371.14957	0.6
384.78500	0.6
385.12811	32.8
386.13336	1.6
387.14355	5.9
397.12897	0.7
399.14621	1.2
417.15405	12.7
643.23907	40.3
644.24237	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	643.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62318	0.8
53.03955	1.2
55.01871	1.4
56.96573	1.4
57.21532	0.9
60.62200	0.9
65.03940	2.1
67.05494	2.5
68.52221	0.8
69.03418	1.9
69.07073	1.1
69.84144	4.9
70.06585	2.2
78.04696	2.7
78.41360	0.9
79.05504	2.2
81.03411	2.0
81.07064	1.7
85.02901	4.0
85.14477	0.9
91.05478	4.9
95.04974	3.1
95.08620	1.5
97.02907	1.2
103.05464	3.6
105.06982	0.9
106.04166	1.7
107.04961	2.9
109.10142	1.4
110.03713	1.5
111.04456	2.2
115.05447	5.4
117.03445	0.8
117.07001	9.0
119.04950	3.3
119.08562	1.1
121.06511	3.9
122.19981	0.8
123.04404	7.4
124.05219	3.6
125.05979	1.0
131.04918	2.5
134.03630	0.9
135.04410	1.5
137.02354	1.2
137.05980	2.4
138.03104	1.9
140.96045	0.9
145.02748	1.3
145.06487	15.2
147.04407	9.2
148.04811	3.7
149.05975	2.6
151.03873	2.0
152.04688	2.9
153.01784	13.5
153.05531	1.3
154.02213	1.0
155.06046	4.1
159.04477	1.1
163.03941	1.9
163.07530	1.3
165.05446	1.0
167.07021	100.0
168.07436	1.5
171.06541	3.1
173.05960	22.2
175.07571	1.3
177.05441	5.3
181.04932	44.1
182.05299	1.2
191.07011	3.3
203.07117	1.6
205.08563	6.2
209.08130	3.5
233.08018	5.3
235.09666	6.1
237.09090	1.1
265.08624	1.5
287.05447	11.8
294.83984	1.3
310.08383	1.2
310.90936	1.1
325.10770	2.0
333.05963	1.5
334.06308	1.2
335.06470	1.8
357.13300	5.6
377.01657	5.6
385.12769	32.1
386.13303	2.2
387.14359	7.2
395.03091	2.6
399.14368	1.3
417.15436	18.5
511.12042	1.1
518.18750	1.0
643.23853	38.7
644.23920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
53.73223	0.3
55.50008	0.4
55.93512	0.6
56.94305	0.4
56.96555	2.1
61.02910	0.4
69.03424	2.4
70.16919	1.1
70.27976	0.3
70.95833	0.7
71.92994	0.5
72.93779	2.4
81.03423	2.2
84.08119	0.4
85.02911	1.7
90.94815	2.5
97.02856	1.0
98.97575	4.8
106.34319	0.3
108.95818	1.0
109.02854	1.2
109.77746	0.4
116.98606	4.9
118.94241	0.4
127.03894	0.7
128.96317	0.6
131.96098	1.4
132.68359	0.3
132.95796	3.3
134.99614	3.2
135.95601	0.5
140.96364	0.4
144.95781	1.7
146.97324	0.4
147.04398	0.7
149.97159	1.1
150.96890	1.7
153.00659	0.4
153.01779	1.2
157.97673	0.5
158.97379	11.7
158.99484	2.5
162.96875	2.0
163.03862	0.5
168.95804	1.2
170.97331	0.5
173.97157	1.3
174.96904	1.0
175.98737	0.8
176.98425	8.0
177.00650	4.4
177.02002	0.5
180.54950	0.4
181.98936	0.3
185.97185	0.7
186.96872	3.5
187.06340	0.5
188.98470	0.6
189.04289	3.3
191.03317	0.7
198.96954	0.7
200.28548	0.4
201.02014	0.8
203.03329	0.5
204.97961	2.1
205.07471	0.8
207.03055	0.5
207.05386	2.4
213.01965	0.6
213.04224	0.5
215.98236	1.1
216.97911	12.4
217.01268	0.8
219.01349	0.5
219.03143	1.2
228.01691	0.7
229.01537	1.1
231.02882	1.5
231.05394	2.8
233.99257	8.4
234.98970	100.0
235.99185	1.0
236.08540	0.4
241.01366	0.4
245.00916	0.5
246.02975	0.6
247.02426	1.6
249.06497	1.6
252.00304	2.5
253.00029	20.4
257.00833	1.0
258.00586	4.7
259.02454	2.6
265.01740	0.5
273.00351	0.5
273.06458	0.9
275.01825	1.0
276.02438	0.5
277.00363	0.5
277.03366	7.2
278.03854	0.6
287.05371	1.0
291.07520	0.7
300.99832	0.4
302.05597	2.6
303.01431	6.3
303.05185	46.3
304.01666	0.5
304.05194	0.6
319.00803	0.6
319.04330	0.5
320.06546	0.4
321.06223	2.1
330.04861	0.4
331.04794	7.3
337.01837	2.0
344.08176	0.5
348.05988	2.7
349.05777	56.1
350.05569	1.0
351.09476	3.0
366.07214	2.2
367.06946	10.7
369.10754	1.7
379.03152	0.8
389.08835	0.5
390.08649	1.9
437.16730	0.5
480.13800	1.2
481.13943	5.2
503.10571	3.3
511.11099	0.8
643.19025	1.1
644.71228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
53.73223	0.3
55.50008	0.4
55.93512	0.6
56.94305	0.4
56.96555	2.1
61.02910	0.4
69.03424	2.4
70.16919	1.1
70.27976	0.3
70.95833	0.7
71.92994	0.5
72.93779	2.4
81.03423	2.2
84.08119	0.4
85.02911	1.7
90.94815	2.5
97.02856	1.0
98.97575	4.8
106.34319	0.3
108.95818	1.0
109.02854	1.2
109.77746	0.4
116.98606	4.9
118.94241	0.4
127.03894	0.7
128.96317	0.6
131.96098	1.4
132.68359	0.3
132.95796	3.3
134.99614	3.2
135.95601	0.5
140.96364	0.4
144.95781	1.7
146.97324	0.4
147.04398	0.7
149.97159	1.1
150.96890	1.7
153.00659	0.4
153.01779	1.2
157.97673	0.5
158.97379	11.7
158.99484	2.5
162.96875	2.0
163.03862	0.5
168.95804	1.2
170.97331	0.5
173.97157	1.3
174.96904	1.0
175.98737	0.8
176.98425	8.0
177.00650	4.4
177.02002	0.5
180.54950	0.4
181.98936	0.3
185.97185	0.7
186.96872	3.5
187.06340	0.5
188.98470	0.6
189.04289	3.3
191.03317	0.7
198.96954	0.7
200.28548	0.4
201.02014	0.8
203.03329	0.5
204.97961	2.1
205.07471	0.8
207.03055	0.5
207.05386	2.4
213.01965	0.6
213.04224	0.5
215.98236	1.1
216.97911	12.4
217.01268	0.8
219.01349	0.5
219.03143	1.2
228.01691	0.7
229.01537	1.1
231.02882	1.5
231.05394	2.8
233.99257	8.4
234.98970	100.0
235.99185	1.0
236.08540	0.4
241.01366	0.4
245.00916	0.5
246.02975	0.6
247.02426	1.6
249.06497	1.6
252.00304	2.5
253.00029	20.4
257.00833	1.0
258.00586	4.7
259.02454	2.6
265.01740	0.5
273.00351	0.5
273.06458	0.9
275.01825	1.0
276.02438	0.5
277.00363	0.5
277.03366	7.2
278.03854	0.6
287.05371	1.0
291.07520	0.7
300.99832	0.4
302.05597	2.6
303.01431	6.3
303.05185	46.3
304.01666	0.5
304.05194	0.6
319.00803	0.6
319.04330	0.5
320.06546	0.4
321.06223	2.1
330.04861	0.4
331.04794	7.3
337.01837	2.0
344.08176	0.5
348.05988	2.7
349.05777	56.1
350.05569	1.0
351.09476	3.0
366.07214	2.2
367.06946	10.7
369.10754	1.7
379.03152	0.8
389.08835	0.5
390.08649	1.9
437.16730	0.5
480.13800	1.2
481.13943	5.2
503.10571	3.3
511.11099	0.8
643.19025	1.1
644.71228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01854	0.5
56.96574	0.4
60.53711	0.3
66.92198	0.3
69.03422	3.2
69.07049	0.4
70.06582	0.5
70.91859	0.8
71.04964	0.4
71.61470	0.2
73.02891	0.5
75.31341	0.2
79.05487	0.7
81.03407	3.5
81.07024	0.4
85.02898	3.7
86.09696	0.9
91.05505	0.4
93.07038	0.7
95.04964	0.8
97.02892	3.2
99.04449	0.8
105.07038	0.6
107.04943	58.6
109.02880	2.6
115.05454	0.3
117.06985	0.4
121.06489	2.0
123.04440	0.3
124.99915	0.5
126.03072	0.3
127.03902	2.6
131.04962	0.4
137.02324	0.5
137.05949	0.5
138.03041	0.3
145.02747	0.4
145.04964	0.9
145.06458	0.7
147.04408	0.6
149.05954	3.9
153.01808	4.2
166.02562	0.5
167.07010	3.9
173.06001	0.8
177.05458	1.0
181.04962	1.8
184.07304	1.5
187.06009	1.2
188.04582	0.4
191.07057	0.5
207.06470	0.4
216.04216	0.7
219.02812	1.3
219.10243	0.3
220.03502	0.4
230.02083	0.3
233.04434	0.5
235.09816	0.3
243.02864	0.3
244.03650	1.8
245.04495	1.2
259.06125	0.3
261.03915	0.6
272.03119	0.8
273.03912	1.0
287.05463	0.7
289.03333	0.9
290.04230	2.4
293.10196	3.4
301.03329	2.7
317.02911	4.5
318.03668	37.9
319.04214	0.5
331.04520	0.4
332.05521	0.5
333.06006	100.0
334.06238	1.1
347.69086	0.3
357.13818	0.3
375.06931	0.4
385.12820	0.7
417.15677	0.4
495.11282	3.0
643.15887	0.8
643.24188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06112	0.3
55.01847	0.4
55.07499	0.2
57.03430	0.4
61.02911	0.5
68.99788	0.5
69.68752	0.7
69.69175	1.4
71.04985	3.3
79.01836	0.4
79.43367	0.3
81.03396	0.5
85.02897	3.6
97.02884	0.4
98.21449	0.5
109.02866	0.7
111.00783	0.6
113.04751	0.3
125.02319	0.7
127.03889	0.7
129.05463	0.9
129.07053	0.3
137.02324	5.0
143.03391	0.9
147.04408	0.5
147.06447	0.3
153.01817	19.6
161.06046	0.5
163.03902	0.5
165.01781	0.5
169.01324	1.0
181.01328	0.4
185.05936	0.5
189.05423	0.8
191.03391	0.6
213.05493	1.9
217.04849	0.5
231.06563	0.6
233.04449	0.6
237.03984	0.6
241.04930	1.0
245.04517	0.7
251.77623	0.3
261.03918	0.9
273.03882	0.4
279.05066	0.4
287.05481	100.0
288.05713	1.4
289.03378	1.0
303.04916	1.6
319.04471	11.9
335.03952	22.9
357.07977	0.8
481.09708	2.1
620.01636	0.3
643.33295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.1
51.02382	0.4
51.11017	0.1
53.00299	0.1
55.01865	0.3
57.62197	0.1
59.69150	0.1
68.71938	0.1
68.99748	0.1
69.03434	0.3
69.07061	0.2
69.83516	0.5
69.83922	0.3
70.06563	0.2
76.68089	0.1
79.01846	3.1
79.11197	0.1
81.03397	0.4
85.02882	0.4
91.05489	0.2
97.02888	1.1
98.20760	0.2
103.03934	1.4
107.01306	0.6
107.05022	0.1
109.02864	0.9
111.00816	0.1
115.05456	0.1
118.34130	0.1
121.02863	0.3
123.00705	0.1
125.02325	2.6
126.80646	0.1
127.03911	0.9
131.04938	0.1
137.05939	0.2
143.03386	6.0
147.04408	0.3
153.01816	100.0
153.02765	3.6
154.02132	0.6
159.04376	0.4
163.03903	0.4
167.07043	0.7
169.04947	1.4
175.03879	0.2
177.05493	0.2
181.04959	0.2
187.03915	0.3
191.03355	1.5
195.02930	0.3
205.04970	0.4
207.02805	0.3
209.04486	0.4
217.05078	0.2
219.02884	0.3
221.04553	0.2
233.04439	1.1
237.03932	4.6
261.03928	2.3
267.05035	0.2
279.04956	1.4
287.05481	5.0
297.06128	0.7
299.05527	0.2
303.04980	0.2
311.05685	0.3
321.05859	0.1
329.06497	0.5
339.07071	0.8
357.08072	2.5
395.07748	0.2
643.23383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84509	0.1
57.40229	0.1
64.78837	0.1
68.99772	0.2
69.07014	0.1
70.06467	0.3
70.06876	0.4
72.43729	0.2
79.01830	0.7
81.03408	0.3
85.02888	0.3
97.02882	0.4
103.03930	0.2
107.01282	0.1
109.02859	0.6
111.00776	0.1
116.98649	0.2
117.52540	0.1
119.04913	0.2
123.04419	0.2
125.02333	0.6
127.03892	0.4
133.06538	0.1
137.02327	7.2
137.03369	0.4
141.07007	0.2
143.03371	1.3
143.04431	0.2
143.04942	0.2
147.04434	0.2
149.02321	0.3
153.01816	17.1
154.02174	0.3
157.06511	0.4
161.05946	0.4
163.03865	0.3
165.01807	0.3
171.04358	0.3
175.03906	0.3
177.05533	0.2
185.05965	0.6
187.03903	0.2
189.05428	0.4
191.03339	0.3
193.04897	0.2
203.07007	0.2
213.05447	2.1
229.04984	0.2
231.03000	0.2
231.06447	0.8
237.03891	0.5
241.04846	0.9
242.05756	0.2
245.04410	0.3
259.05936	0.3
261.04034	0.3
269.04312	0.3
277.03406	0.2
279.05045	0.2
287.05469	100.0
288.05728	1.5
303.01413	0.3
303.04919	3.0
319.04425	3.9
320.05548	0.2
323.07727	0.3
339.07144	0.3
341.08578	0.3
357.08084	0.5
481.09634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67820	4.7
55.01857	13.8
55.05260	6.4
55.05509	64.8
57.07061	19.8
66.89567	4.3
67.05494	84.5
67.47195	5.6
68.15089	4.7
68.89198	4.3
69.03414	8.4
69.07059	45.6
69.43998	37.9
71.08622	18.5
79.05489	85.1
81.03401	8.8
81.07049	88.7
83.04955	8.4
83.08604	25.1
85.10165	9.1
85.33587	4.7
87.04523	4.6
89.06015	22.3
91.05473	57.9
93.07032	77.3
95.04964	15.8
95.08602	42.3
97.02925	5.0
97.06505	11.7
97.10146	31.8
105.07018	60.4
107.04937	11.7
107.08588	48.4
109.06501	6.2
109.10120	24.4
111.08083	5.0
115.05470	4.6
117.07014	31.3
118.69153	5.1
119.08566	58.3
121.06525	10.7
121.10125	22.0
123.08064	6.7
123.11736	9.8
125.09639	30.7
129.06976	22.8
131.08543	44.9
133.06465	5.4
133.08566	19.6
133.10130	37.3
135.08073	5.6
135.11697	24.8
137.09656	6.4
141.06946	9.4
143.08513	26.4
145.10100	37.2
147.11685	27.2
149.09618	6.1
149.13228	12.5
153.09126	4.4
154.51608	4.6
155.08553	17.9
157.10106	19.9
159.08138	6.6
159.11696	27.7
161.09621	8.2
161.13240	21.2
163.11273	6.8
163.14760	5.0
169.10121	13.7
171.11674	20.7
173.09639	6.6
173.13257	15.1
175.11151	5.5
175.14833	11.8
177.12663	6.8
181.10173	11.0
183.11665	20.8
185.13304	13.6
187.10988	5.7
187.14799	5.3
189.11240	19.1
189.12791	5.8
193.10165	6.6
195.11650	6.7
197.13264	13.3
199.14726	12.5
208.50621	5.2
209.13295	5.4
211.14761	8.7
223.13199	16.5
225.16521	5.2
227.12758	31.8
231.21013	5.5
237.16527	9.4
241.19489	20.9
251.20226	4.8
257.19003	9.0
259.20572	38.5
273.18475	8.4
275.20007	6.0
285.22067	7.3
289.17960	9.2
291.19507	63.9
294.58554	4.6
296.62582	6.0
333.24255	29.4
347.21960	6.2
365.23212	21.8
379.29846	8.1
381.27725	7.3
477.22687	8.1
529.35461	9.3
531.37939	6.4
543.36713	8.3
547.26801	7.0
549.39270	7.2
550.25385	9.2
591.25287	9.2
605.27802	6.9
605.41931	17.2
623.28583	29.4
623.43024	100.0
641.44092	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	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05496	2.7
57.03426	3.1
67.05500	7.7
69.07067	3.3
69.34129	10.5
79.05493	4.1
81.07043	6.6
83.04991	1.4
83.08627	1.1
86.09698	2.4
91.05479	4.9
93.07033	3.8
95.08596	5.0
99.08067	1.3
102.05802	0.9
104.10742	4.2
105.07047	4.3
107.08562	2.5
109.06490	1.3
109.10181	2.5
117.06998	1.7
119.08586	3.9
121.10149	1.6
131.08594	3.7
133.10136	3.2
143.08549	1.5
145.10088	1.8
147.11713	1.3
155.08545	2.0
157.10150	1.6
159.11763	1.7
169.10060	1.3
183.11691	1.4
184.07361	3.0
186.65390	1.1
191.45723	1.0
195.11621	1.1
209.13258	1.4
225.83688	1.0
258.70926	1.0
275.20068	2.4
286.99326	1.3
335.41202	1.2
349.23511	1.3
356.17654	1.4
406.21188	1.6
419.18460	2.9
433.20392	3.7
434.20724	1.5
435.21579	1.5
446.17224	1.5
447.22174	1.7
448.22702	2.2
449.23553	1.6
461.19193	8.6
462.20551	4.3
463.21472	2.2
465.19354	2.4
467.24393	1.6
476.22083	3.1
477.22925	1.6
489.23087	1.3
493.22665	1.6
494.23041	3.1
495.24146	2.0
521.22101	1.1
531.38312	1.4
548.24493	3.3
548.90497	1.0
549.25391	1.9
553.28296	1.6
563.26721	5.5
569.38702	2.2
581.27734	10.6
582.28003	1.3
608.26086	2.6
623.28180	2.1
623.42792	4.8
641.29651	100.0
641.42883	2.9
642.29816	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	641.296
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.63129	0.4
51.45771	0.4
55.05497	1.2
67.05496	1.9
69.07051	0.9
69.40247	3.2
75.14139	0.4
79.05493	1.4
81.07059	1.6
83.08591	0.7
91.05468	1.4
93.07047	1.3
94.54522	0.3
95.04977	0.7
95.08601	1.5
97.06554	0.7
97.10136	0.4
100.01170	0.4
105.07015	1.3
107.08617	0.9
109.10194	0.5
117.07004	0.6
118.98235	0.4
119.08592	1.1
121.10228	0.7
129.07053	0.4
131.08583	0.5
133.10178	0.6
134.09596	0.5
145.10132	1.1
149.09619	0.8
157.10107	0.5
159.11700	0.8
171.11768	0.5
185.13156	0.5
190.98547	0.4
211.12430	0.4
237.10318	0.4
239.11819	0.5
241.13315	0.5
251.11932	0.4
275.20096	1.1
349.23395	0.4
372.38785	0.4
391.19537	0.8
404.16251	1.4
405.16660	0.6
405.21201	0.8
406.21722	1.0
407.22339	0.7
417.17029	0.6
418.17987	1.1
419.18707	1.6
431.18643	0.5
432.19827	1.0
433.20352	3.9
434.21082	1.9
435.21997	0.7
445.20340	1.0
447.18143	1.8
447.22653	0.6
448.22394	1.6
449.23453	1.1
451.21225	0.7
461.19479	10.1
462.20270	3.7
463.21390	1.2
465.19196	1.5
467.24573	2.3
475.21469	0.7
476.21970	2.7
477.22800	3.4
479.20837	1.3
480.21457	1.1
489.22839	1.1
493.22189	1.5
494.22681	2.8
495.24146	1.8
505.22137	0.6
507.23773	0.8
520.24438	0.7
521.22137	1.7
535.26984	0.6
543.37024	0.5
548.23975	3.1
549.24915	1.8
553.27838	1.4
554.25220	0.5
563.26489	5.6
564.25891	0.9
566.25146	0.6
576.23334	0.7
581.19275	0.8
581.27704	9.6
582.28223	0.5
592.26550	0.5
608.25983	1.5
609.26813	1.3
623.27911	1.1
623.43066	1.2
624.28192	0.7
641.29608	100.0
642.30255	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	641.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.0
58.06598	0.6
67.05497	1.3
69.03444	0.6
69.07063	0.8
69.33170	2.1
69.33597	4.2
79.00758	0.6
79.05483	0.7
81.03381	1.5
81.07039	1.8
85.02869	1.3
90.34369	0.7
93.07046	1.0
95.08593	1.6
97.02874	0.7
98.20773	1.3
105.07050	0.7
107.04922	0.7
107.08589	1.3
108.36232	0.7
133.10124	1.4
147.04341	1.2
153.01825	1.2
157.10153	0.7
167.07045	1.6
173.05905	0.8
175.03839	0.9
177.05412	1.2
179.07076	0.8
181.04973	1.8
189.05225	13.7
201.05307	1.1
202.06018	2.9
203.06754	0.8
207.06471	0.9
216.07536	6.5
217.08257	0.7
219.06320	2.0
232.07083	1.0
233.07803	12.8
234.08611	8.1
235.09460	0.8
235.76756	0.7
247.09409	10.6
262.68008	0.7
309.87051	0.6
399.14084	4.4
413.15652	15.4
427.99622	0.7
429.15201	2.9
444.17691	4.7
445.17969	1.0
461.32944	0.8
611.24896	0.8
641.25568	100.0
642.25983	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	641.17
Annotation	Quercetagetin 7-methyl ether 3-neohesperidoside
Peak:m/z	Relative Intensity
51.61673	0.3
52.27991	0.3
53.03911	0.3
57.03434	1.7
57.03646	0.4
61.02888	0.9
62.36530	0.3
68.99757	0.3
69.03419	3.6
69.65642	2.5
71.04986	9.7
73.02883	0.9
75.04436	0.5
81.03382	0.9
83.04930	0.9
85.02898	15.2
86.55042	0.3
87.04435	0.8
88.93401	0.3
91.03950	0.4
97.02869	2.4
98.20741	0.6
99.04405	0.7
103.03920	0.5
109.02811	1.1
113.07010	0.3
124.97815	0.3
127.03841	1.3
129.05469	1.6
145.02817	0.4
145.04912	0.4
153.01799	4.5
166.02582	0.5
177.05333	0.7
216.04153	0.8
217.04881	0.4
219.02855	1.4
220.03648	0.5
230.02092	0.5
230.58299	0.3
231.02864	0.4
244.03697	1.8
245.04343	1.3
259.06201	0.4
261.03839	1.2
266.14532	0.4
272.03210	0.8
273.03925	1.0
277.06906	0.3
279.82596	0.3
287.05557	0.7
289.03427	1.1
290.04123	3.0
301.03323	3.8
302.56998	0.3
305.06366	0.4
315.04904	0.4
317.02908	4.9
318.03662	48.0
319.03955	0.7
331.04404	1.4
332.05057	1.5
333.06003	100.0
334.06281	0.8
342.03571	0.5
343.04395	0.4
345.05975	2.8
356.05063	0.4
357.06265	0.4
371.07501	0.4
375.07129	3.0
383.07587	0.4
399.07013	2.0
410.06308	0.5
425.08627	1.9
443.09656	3.0
461.10577	0.9
479.11502	0.6
495.11279	73.5
496.11429	0.7
534.17957	0.4
537.12506	1.1
561.12195	1.0
601.38098	0.4
605.14954	4.0
623.16034	1.3
641.16925	1.2
641.31848	0.7
648.00916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1498
Annotation	Patuletin 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
51.02378	0.2
53.03938	0.3
57.03428	0.2
65.03932	1.4
69.03426	1.1
69.96999	0.7
70.06593	0.9
71.04978	0.2
72.73830	0.1
81.03414	3.5
85.02896	1.1
86.09708	0.4
91.05475	11.8
95.05016	0.2
97.02870	0.4
99.04396	0.2
109.02877	1.5
114.93069	0.1
119.04934	25.1
120.05249	0.3
126.03123	0.4
127.03884	0.5
127.34351	0.1
147.04398	100.0
148.04749	1.1
153.01797	1.5
156.51799	0.1
165.05476	1.8
166.02635	0.2
177.05429	0.2
189.87141	0.1
216.04160	0.2
219.02933	0.4
220.03589	0.2
230.02069	0.2
244.03612	0.9
245.04431	0.5
261.04041	0.3
272.03177	0.4
273.03949	0.4
289.03351	0.5
290.04202	1.0
291.08603	5.2
301.03342	1.3
301.11444	0.2
309.09668	1.5
316.05914	0.1
317.02954	1.9
318.03683	13.7
319.03931	0.2
333.06018	34.5
334.06415	0.8
399.56543	0.2
487.54370	0.2
495.11264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.0
53.03949	6.7
55.01860	4.9
55.05268	1.4
55.05508	16.4
57.03428	8.0
59.04990	2.2
65.03928	3.6
67.05499	72.0
69.03422	17.2
69.07061	16.3
70.91699	1.1
70.92050	3.5
71.01346	1.3
71.03825	1.6
71.04155	2.0
71.04984	42.4
76.71800	1.1
79.05488	40.4
79.05956	2.2
81.03409	47.5
81.07048	100.0
83.04977	14.0
83.08608	10.6
84.42717	1.2
85.02885	4.9
85.06551	7.1
85.92992	1.2
87.04458	2.2
91.05472	41.0
93.07032	46.8
95.04960	9.7
95.08595	19.7
97.02879	10.5
97.06528	12.0
97.10139	2.3
99.04457	5.9
99.08056	1.8
103.05457	1.7
105.04478	1.8
105.07023	18.2
107.04936	4.9
107.07858	1.8
107.08584	29.7
109.02854	11.7
109.06501	4.8
109.10186	8.0
111.04430	4.7
111.08069	6.5
117.06987	8.8
119.08582	7.3
121.06468	2.3
121.10124	18.1
123.11696	12.2
127.03902	7.7
129.05484	1.8
129.06992	2.9
131.04861	1.7
131.08574	11.6
133.06494	1.7
133.10118	19.0
135.08023	2.0
135.11665	9.2
139.11205	1.5
143.08487	1.6
145.06454	1.9
145.10078	1.6
147.08044	1.5
147.11659	5.7
149.09593	2.0
149.13237	24.3
151.11221	7.0
157.10091	2.5
159.11676	14.6
161.13269	1.3
165.12743	2.6
169.12196	1.4
171.06540	2.6
173.04430	11.0
175.11195	2.0
177.12718	8.1
179.14267	1.7
183.13770	5.5
187.13287	9.4
193.12198	3.2
195.13800	17.6
201.14813	2.6
213.14781	4.0
227.12857	1.7
243.15932	2.0
249.14717	1.7
253.18130	1.5
257.17526	2.3
267.15799	3.8
269.17441	10.2
283.18988	5.4
321.17068	2.5
339.17914	10.1
377.19598	2.0
395.20789	8.0
421.29309	1.5
427.23264	2.4
433.29999	1.6
435.30933	2.5
437.29010	22.0
451.30658	12.9
453.32019	3.3
463.30557	6.3
495.32944	5.2
515.29443	2.0
545.30560	2.1
563.32001	2.5
589.33752	2.2
607.34686	12.5
639.25726	2.0
639.37219	32.8
640.37225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
53.04165	1.5
54.03838	1.4
55.01869	3.7
55.05505	20.6
57.03427	6.5
57.07049	1.8
59.04998	1.4
65.03933	2.3
67.05502	75.2
69.03420	15.4
69.07065	16.5
70.93761	3.4
71.01356	1.9
71.04174	1.4
71.04987	35.1
79.05051	2.8
79.05490	37.8
81.03413	44.0
81.07052	100.0
82.37126	1.3
83.04971	14.2
83.08617	13.9
85.02889	5.4
85.06544	8.4
87.36006	1.4
91.04895	1.8
91.05473	37.2
93.06460	3.0
93.07040	50.8
95.04955	10.2
95.08601	22.5
97.02864	12.1
97.06521	10.9
97.10180	3.2
98.64673	1.7
99.04448	6.0
99.08086	4.8
105.07024	22.5
107.04950	4.4
107.08587	27.9
109.02865	12.7
109.06512	4.6
109.10126	7.9
111.04467	7.3
111.08067	5.7
117.07020	7.7
119.08579	9.3
121.06487	3.8
121.10132	17.2
123.04382	2.7
123.08080	1.5
123.11704	12.9
125.09590	2.4
127.03906	5.2
129.05461	1.6
129.06981	2.5
131.04953	1.6
131.08577	10.4
133.06480	2.2
133.10117	20.5
135.11646	7.2
137.05923	1.6
139.11197	2.8
143.08485	1.7
145.06482	1.6
145.10121	3.7
147.08011	2.2
147.11665	7.5
149.05989	1.6
149.13264	25.6
151.11162	8.3
155.08617	1.9
157.10143	3.7
159.11717	13.1
161.13191	2.0
163.07564	1.5
165.12709	3.4
167.08536	1.9
171.06557	3.2
171.11607	1.8
173.04428	10.0
175.11131	1.8
177.12737	8.8
183.13808	4.2
187.13274	10.1
193.12247	3.4
195.13806	11.5
201.14905	2.9
213.14835	2.6
225.14822	3.7
245.07475	1.4
253.18167	2.0
257.17490	3.8
267.15875	4.1
269.17435	10.2
283.19034	3.7
297.17020	1.9
303.15967	2.6
321.16852	2.0
339.18082	7.3
350.09839	2.1
377.19635	2.3
395.20486	4.9
421.29382	4.4
427.23239	2.2
437.28900	25.1
451.30682	9.5
453.31851	4.0
463.30673	8.5
479.30423	1.7
495.33209	6.7
563.31537	2.6
579.96741	1.9
589.33276	3.9
607.34705	15.6
639.37268	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	639.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.4
55.93518	2.6
56.94299	0.7
56.96561	2.4
61.68489	0.4
67.05474	1.2
69.07046	1.0
70.78157	1.3
70.95846	1.5
71.92989	0.6
72.93784	4.6
79.05479	1.1
81.03384	1.3
81.07033	1.6
88.96873	1.1
90.94804	3.6
91.05457	1.6
93.07012	1.3
95.04969	0.6
95.08593	0.7
105.06998	1.4
107.08602	0.7
108.95850	1.1
113.96355	0.6
116.96365	0.6
117.06985	0.5
119.08542	0.8
121.06519	0.4
126.98292	0.5
128.96307	0.7
129.06944	0.7
129.13919	0.4
131.08513	0.8
133.10078	0.7
138.98346	0.6
143.08527	0.6
144.95779	0.6
144.99442	1.1
145.02835	0.7
145.10049	0.5
146.97375	1.0
146.99634	0.9
150.96840	0.6
151.02013	0.8
151.97662	1.0
154.97891	0.8
159.11716	0.4
162.96852	0.6
164.99960	1.4
165.45663	0.5
165.97015	0.7
166.97870	1.6
168.99493	0.4
169.10059	0.5
170.97278	0.4
171.03212	1.0
172.98962	1.1
177.05501	0.7
177.22742	0.4
178.97855	1.0
179.01486	0.4
180.99428	1.2
183.01001	1.1
184.98967	0.9
187.00430	0.6
189.03758	0.8
192.99416	1.4
195.00972	1.0
195.15776	0.4
196.98958	0.6
197.40855	0.4
199.00497	1.0
199.02110	0.5
199.06407	0.6
200.02754	0.6
201.02094	0.7
201.03757	0.6
203.06004	1.9
205.03195	0.7
207.00998	0.6
209.02660	0.5
211.00511	0.7
212.02809	0.5
213.01918	0.8
213.03612	1.4
215.03522	0.6
215.05350	0.7
216.99503	0.4
217.03156	0.7
217.07393	1.5
219.01109	0.7
220.98875	0.7
221.02544	0.7
223.00471	0.7
225.03961	0.5
225.05940	0.5
227.03549	1.3
227.05400	0.9
229.06837	0.7
231.04643	0.6
233.02777	0.5
235.00618	0.5
235.04056	0.5
237.04063	0.8
251.03253	0.5
253.06731	1.4
255.08499	0.9
259.04291	0.6
265.06653	0.5
267.08749	0.9
275.07132	0.8
277.06586	1.5
278.05835	1.2
279.08582	3.1
281.09897	2.0
283.06247	0.7
291.06668	0.6
296.06934	0.5
297.07681	5.3
299.11194	0.4
303.10431	1.6
305.07980	0.5
305.11914	1.1
309.07697	2.2
323.09540	0.5
323.12973	0.8
325.08701	0.7
327.10449	2.3
329.11520	2.2
331.15726	4.4
337.11276	0.5
345.11411	5.6
346.12943	0.8
347.12897	46.8
348.13358	2.1
349.16818	26.7
363.12436	3.3
364.14606	2.3
365.14014	100.0
366.14386	3.8
367.17822	1.1
372.18317	3.3
386.13977	0.6
388.15604	15.7
389.16104	0.8
579.25073	0.8
611.28381	1.3
639.35736	7.5
640.34491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2806
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
67.05478	0.5
77.84091	0.3
79.05494	0.4
81.07045	0.5
83.77142	0.3
93.07012	0.5
95.04962	0.5
97.21983	0.4
98.21508	0.8
99.71764	0.4
106.06532	0.4
119.01910	0.4
119.08602	0.4
136.07623	0.3
146.09769	0.3
204.06529	0.5
211.08553	0.5
225.10226	0.6
229.49744	0.5
249.02579	0.3
249.10295	0.5
267.03482	0.9
327.14194	0.4
379.15891	0.7
391.15607	0.5
392.16071	0.6
393.16766	0.7
393.21140	0.7
405.16992	0.8
406.17978	0.8
407.18799	2.0
417.16992	0.6
418.17725	0.5
419.14005	0.5
419.18875	1.3
420.15210	0.8
420.20041	0.4
421.20462	4.7
422.21100	1.4
423.21756	0.6
431.18805	0.6
432.19461	0.6
433.16452	1.3
433.21100	0.7
434.17398	1.4
435.17090	2.4
435.22781	0.8
436.22763	2.4
437.23590	0.6
445.15985	0.5
446.17331	0.5
447.17264	0.7
447.22021	1.5
448.18784	2.4
449.19595	9.8
450.20404	2.9
451.21368	0.7
459.18011	0.8
460.18140	0.6
461.19577	1.5
462.20529	0.7
463.21640	4.6
464.22058	4.8
465.22525	1.2
473.19705	0.5
474.20496	1.2
475.21799	1.8
477.18796	6.5
478.19794	2.0
479.20773	0.6
489.19147	0.6
491.20752	1.2
492.21204	0.7
493.22278	1.1
495.24258	0.4
505.22565	0.6
507.23624	1.0
509.22311	0.4
519.24078	0.5
521.21930	0.8
523.22937	2.1
533.22113	1.2
535.23639	4.3
536.23761	1.1
537.22052	1.3
547.23718	0.8
549.21460	0.4
550.25885	1.3
551.26514	3.1
561.24799	3.2
563.23035	1.4
564.23608	4.6
565.24243	2.8
567.25781	0.4
579.25983	6.9
580.26642	0.6
581.24298	0.7
595.25439	2.8
596.26276	1.3
607.25317	0.7
610.27338	1.3
621.27100	3.4
622.26501	0.5
624.25641	6.0
639.28046	100.0
640.28394	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	639.2802
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
66.43058	1.2
67.05487	1.4
69.27988	2.2
69.28386	13.3
73.35857	1.2
74.73135	1.2
88.62247	1.2
89.08413	1.2
94.49146	1.2
102.50332	1.4
223.12405	1.8
246.83813	1.3
251.63660	1.4
376.17346	1.8
377.17554	2.5
378.18753	2.0
390.18484	1.8
391.19290	8.5
392.19943	6.5
393.20889	1.5
403.19147	2.5
404.19812	3.2
405.20746	16.5
406.21500	7.9
407.22256	18.4
417.20822	3.0
418.21478	2.4
419.22250	5.4
420.23190	5.3
421.18073	2.3
421.23792	21.8
422.24304	3.4
433.23965	5.2
434.24652	2.6
435.18024	3.0
436.19324	2.3
437.19821	1.6
445.20203	3.3
449.19168	2.0
450.20636	4.1
451.21268	18.2
452.21924	4.4
460.22592	2.0
463.21552	2.4
464.22046	2.3
465.22760	21.8
466.23495	2.0
469.20764	1.4
478.23456	3.1
479.24380	2.2
487.21271	2.6
491.20419	1.9
493.25980	2.1
501.22858	2.6
503.24625	10.1
507.27338	11.9
508.28253	3.7
523.23608	4.8
535.26996	14.6
536.27917	2.3
537.25104	11.6
551.26392	5.5
552.27246	23.9
561.24585	3.2
579.25812	11.6
580.26697	5.8
595.28723	8.2
621.27167	21.4
639.28021	100.0
640.28174	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	639.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64479	1.4
60.51857	1.8
61.66515	1.3
70.55740	1.5
72.80427	1.7
120.08140	2.0
124.22495	1.5
152.75735	1.5
172.04048	2.0
199.40903	1.5
223.12309	1.8
238.14589	1.9
239.15488	2.0
249.14001	1.9
253.13326	2.7
267.14847	2.9
404.20001	1.9
410.15128	2.0
417.20956	1.9
430.17737	1.6
431.18774	4.6
433.24002	3.1
444.19360	3.3
445.20248	3.2
447.17947	2.0
449.19827	3.5
459.21765	33.7
460.22797	7.3
461.23273	3.6
475.21439	3.3
492.21036	3.8
506.22226	2.5
519.24188	5.3
520.20422	2.3
523.22723	2.1
531.23816	2.2
535.27130	2.1
538.21173	2.0
546.26337	2.1
547.27106	19.3
551.26025	4.7
552.23138	2.3
563.26532	2.6
574.25854	2.8
579.25861	10.2
580.25861	1.8
593.23834	3.7
596.26251	5.6
597.26959	1.8
606.28302	100.0
607.25323	27.0
611.28510	19.4
620.21484	1.8
621.27277	4.0
622.27734	4.1
624.25098	2.8
639.27924	73.7
640.28223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.4
61.56128	0.4
64.10552	0.4
69.03400	0.4
79.01783	1.1
81.03382	0.6
83.01054	0.6
84.08100	0.6
85.02846	1.1
86.09672	0.6
91.05412	0.5
97.02880	4.9
105.06929	0.5
107.01289	0.8
107.92850	0.4
109.02810	0.5
119.04887	0.7
125.02306	1.5
127.03869	1.1
127.72990	0.4
129.13785	0.4
131.04860	1.1
143.03333	2.0
145.02820	0.4
147.04343	0.6
153.01819	25.6
154.02098	0.8
159.04434	2.0
163.03867	1.0
167.03151	0.5
171.02818	0.5
174.98737	0.5
175.00008	5.4
175.03883	0.9
177.05383	1.6
179.03383	0.6
181.01274	0.7
185.04201	2.0
187.03816	0.7
191.03282	1.6
191.57043	0.4
197.01025	0.5
205.04944	3.4
207.02867	2.6
209.04309	0.4
211.02408	0.5
221.04295	1.2
232.97015	0.4
233.04373	2.0
237.03804	0.9
249.04019	0.5
249.11336	0.6
259.02286	2.1
261.03882	0.5
279.04913	1.0
281.30133	0.4
297.06015	0.8
315.07181	0.9
319.04211	15.7
324.02493	1.1
325.03168	7.3
325.06839	0.4
337.05261	100.0
338.05664	0.9
345.10077	0.5
355.06253	1.0
361.04062	0.7
378.07950	1.3
477.02686	0.5
579.06897	0.6
639.09509	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32119	1.5
51.26350	1.5
53.03931	7.9
55.01858	3.7
57.03417	3.3
69.03416	16.4
70.83537	4.8
71.04952	2.3
79.01841	2.5
81.03406	92.4
82.03705	1.7
85.02878	7.8
95.01311	7.0
97.02866	5.4
98.97585	3.7
99.00807	4.1
99.04442	2.4
109.02862	56.6
116.98612	3.0
119.01219	1.9
121.02801	3.3
123.00726	2.8
125.02317	2.9
127.03898	12.3
134.99654	2.0
141.01799	2.7
147.04364	3.9
149.02310	3.2
151.00273	3.1
153.01810	6.8
163.03809	4.8
165.01805	14.6
167.03407	6.9
177.00685	4.7
187.35696	1.6
189.01836	2.0
191.03387	4.5
193.01299	85.4
195.02769	3.6
205.01346	3.0
211.02373	3.5
217.01248	3.6
219.02878	4.6
221.00775	100.0
224.74030	1.6
231.02844	3.9
239.01797	18.3
245.00716	3.8
247.02383	13.8
259.02328	4.1
263.01776	3.8
273.00198	2.7
275.01901	11.0
277.03445	3.6
291.01093	2.5
301.03400	3.6
303.01199	8.2
351.09329	2.3
397.50098	1.9
431.02249	2.3
449.03455	7.4
459.01559	3.0
477.02933	21.5
481.06293	3.6
495.04132	3.1
503.10657	2.3
603.05817	3.3
621.06866	12.5
639.08148	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	639.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93412	0.7
51.02367	1.2
53.03938	7.8
55.01866	4.5
57.03422	2.1
65.03941	1.4
67.01849	2.4
68.99773	2.5
69.03424	9.4
69.64108	5.9
71.04973	1.5
78.41059	0.9
79.01845	3.1
81.03407	73.6
83.01323	1.4
85.02909	4.9
87.98694	0.8
92.99743	1.5
93.03362	1.2
95.01322	6.8
97.02868	3.7
98.97589	0.9
99.00796	1.6
99.04440	2.1
101.02359	1.5
109.02863	49.1
113.02354	2.4
116.98623	0.8
119.01283	1.9
121.02847	2.5
123.00777	3.6
125.02348	1.5
127.03903	8.4
137.02307	2.8
139.00217	0.8
139.03906	1.0
141.01776	4.0
147.00722	1.3
147.04382	1.7
149.02368	4.4
151.00258	2.1
153.01810	3.4
154.99727	1.1
163.03893	1.9
165.01819	13.7
166.99620	0.8
167.03400	5.3
169.01306	2.3
177.01805	2.5
179.03372	1.4
181.01355	1.4
182.99232	1.9
189.01796	1.3
191.03398	2.1
193.01302	96.9
194.01706	1.0
194.99210	1.1
195.02898	2.7
201.01761	1.6
203.03339	0.8
205.01326	2.6
209.00839	1.4
211.02351	2.5
215.03494	1.0
217.01369	1.9
219.02824	3.2
221.00781	100.0
222.01076	1.9
231.02914	4.7
231.05077	1.1
239.01830	12.1
243.02927	1.1
245.00832	2.8
247.02328	18.9
257.00659	1.3
257.02951	1.2
259.02325	2.4
263.01770	3.4
267.01175	0.9
271.02408	1.7
273.00314	3.0
275.01828	7.9
277.03476	2.0
287.01764	1.0
291.01382	1.9
299.01593	1.3
301.03381	3.0
303.01324	9.9
305.02838	0.8
313.03372	0.9
319.00656	1.9
365.05005	2.5
403.03171	1.2
431.02545	1.6
447.05240	1.6
449.03204	4.1
450.03201	0.9
459.01828	3.6
477.02969	13.7
478.02863	1.2
481.06006	1.4
495.04141	1.8
513.05212	1.2
575.06000	1.4
603.06049	2.7
620.97827	1.0
621.07202	12.0
638.98358	1.3
639.08185	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	638.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	1.0
55.05505	15.0
55.54459	0.6
57.07067	20.1
62.06082	0.7
67.05495	9.0
69.07059	17.6
70.65641	1.7
71.04969	1.7
71.08619	12.1
77.87912	0.6
79.05477	3.6
81.07042	13.5
82.32108	0.6
83.04977	1.0
83.08613	18.6
83.19672	0.6
85.06499	0.7
85.10168	7.0
91.05471	0.9
93.07030	7.7
95.08595	14.5
97.06508	3.9
97.10165	6.1
98.98465	1.4
100.31878	0.6
101.05969	0.7
107.08577	4.0
109.10143	6.3
111.08076	2.7
121.10120	2.4
123.11668	3.2
125.09638	1.0
125.13200	0.8
137.13307	0.9
149.13231	8.1
154.40251	0.7
155.01031	1.5
167.14301	5.5
174.16190	0.8
185.15387	2.1
202.15938	1.2
228.19617	3.2
239.23714	3.2
241.17963	17.7
241.20276	1.3
259.19040	1.8
269.20255	0.6
282.27951	1.6
300.13550	3.1
313.27316	3.6
393.23837	0.8
436.28290	1.0
480.94421	0.8
497.41934	100.0
498.42230	3.6
560.24097	1.5
620.25623	1.5
638.26471	2.3
638.41113	1.4
639.26721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83703	0.7
53.00280	0.7
53.03923	2.2
55.01857	2.2
55.05511	3.4
57.03433	17.0
57.06787	1.1
57.07069	25.8
61.02919	54.3
67.05498	9.6
69.03422	21.7
69.06776	0.6
69.07066	6.1
69.48991	6.4
71.01330	3.0
71.04993	3.2
71.08621	20.7
73.02494	1.1
73.02908	19.5
75.04449	1.9
79.05479	1.9
81.03407	17.9
81.07046	11.4
82.73550	0.7
83.01347	0.8
83.04955	2.2
83.08604	8.9
85.02895	71.9
85.09720	0.8
85.10173	11.3
87.04433	2.1
89.05991	1.4
89.20303	0.7
91.03945	41.9
93.07008	0.8
94.26652	0.8
95.04969	1.0
95.08598	16.9
97.02880	59.1
97.06525	0.7
97.10136	5.2
99.04428	8.0
101.02366	6.1
103.03929	7.3
109.02871	11.3
109.10137	7.7
111.04404	1.9
111.11704	1.3
115.03906	5.5
117.05477	2.5
119.04884	0.8
123.11690	2.7
127.03902	30.3
129.05458	4.4
137.13243	2.0
145.04942	18.5
149.01198	1.2
156.03618	0.8
159.06511	3.6
163.05994	4.9
171.06500	0.9
183.06494	9.6
201.07535	5.7
239.23657	22.0
240.59479	0.8
257.24689	3.0
313.27322	100.0
314.27814	1.5
317.89630	0.7
331.28400	0.9
341.26721	4.7
347.67236	1.7
348.17392	2.2
348.67438	2.1
349.16870	2.6
355.28171	3.7
362.16879	0.8
383.27939	1.6
385.29410	2.0
397.29221	1.2
421.29517	1.4
439.30389	2.8
457.31668	11.7
475.32361	1.9
534.13672	0.8
637.37128	1.2
639.42523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2644
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.91046	0.4
66.11635	0.4
67.05426	0.5
69.06969	0.4
69.29040	1.4
69.29460	3.7
79.05401	0.6
79.99078	0.5
80.48528	0.4
81.06975	0.5
87.41525	0.4
95.08543	0.5
111.68504	0.4
131.09515	0.4
146.93704	0.4
210.09218	0.4
221.10548	0.5
249.10275	0.5
296.85223	0.5
360.14624	0.5
361.15335	0.5
363.16144	0.6
374.16364	0.6
375.16956	0.4
376.16937	0.5
377.17529	1.5
378.18475	0.5
385.14548	0.9
386.15402	1.2
387.16135	1.3
388.17538	0.5
389.18243	0.7
390.18765	0.7
391.19116	1.8
392.19843	1.2
393.20633	2.3
399.16245	2.3
400.12418	0.4
400.16876	2.9
401.17749	3.6
402.18689	0.6
403.19299	0.8
405.20813	0.9
406.21552	0.5
407.22116	2.7
411.16205	0.8
412.17563	0.9
413.17737	3.7
414.18607	5.2
415.19305	8.9
416.19778	1.2
417.21017	0.9
419.18307	0.7
419.23053	0.7
421.20218	2.4
425.17566	1.6
426.18448	0.5
427.18997	1.8
428.20404	3.4
429.15747	0.9
429.21161	8.8
430.22189	2.4
431.18604	1.0
433.20398	0.7
435.21771	1.7
436.22638	0.7
439.19116	1.0
441.16425	0.9
442.17252	2.2
443.18250	4.6
443.22577	4.3
444.18610	5.8
445.20572	2.3
447.17685	0.7
454.15204	0.5
455.18805	1.1
456.19318	1.6
457.20569	6.3
458.21173	4.2
459.17215	0.6
459.22443	0.8
461.19659	0.8
462.19861	0.6
469.16370	0.7
471.22122	7.9
472.23087	5.6
473.19122	3.7
474.20401	1.5
475.16943	0.5
484.18799	0.6
485.19989	2.9
486.20401	6.9
487.21362	2.2
488.21942	1.6
489.23438	1.0
490.19574	2.7
491.20630	1.0
499.21185	11.0
500.22559	2.9
502.20181	1.5
503.24860	5.0
506.22623	0.4
513.19177	1.4
514.19965	1.2
516.21539	1.3
517.22223	4.1
518.19373	0.6
527.20795	2.5
528.21106	1.1
530.22961	0.9
531.23846	12.7
541.22321	0.6
543.23553	1.4
544.21277	0.7
545.21771	1.2
549.25037	1.1
559.23334	100.0
560.23413	2.6
587.22839	16.5
588.22925	0.9
605.23877	0.8
619.25421	99.5
620.25549	3.1
637.26544	10.5
637.41119	1.4
669.32977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11417	0.7
65.44062	0.6
67.05507	0.7
98.21516	1.7
118.55573	0.7
135.40512	0.8
156.08147	0.7
221.10689	0.8
259.12033	0.8
269.17673	0.7
377.17505	2.2
387.16364	0.8
388.17874	0.8
389.17981	0.8
391.19153	2.0
392.19998	2.6
393.20718	4.0
399.15970	2.2
400.16949	2.0
401.17554	1.7
402.18814	0.8
403.19595	0.9
405.20850	2.4
407.22244	5.7
413.17648	2.3
414.18716	4.2
415.19412	6.4
416.19864	1.0
420.19290	1.1
421.20313	4.3
425.17523	1.1
427.19577	1.7
428.20093	2.8
429.21338	6.0
430.21869	1.7
431.18436	1.4
433.20636	0.9
434.20947	1.1
435.21701	4.2
436.22836	1.2
441.17255	0.9
442.17572	0.8
443.18457	2.6
443.23297	1.8
444.18887	4.2
445.20306	2.4
447.18231	2.9
457.20547	4.2
458.21017	2.2
459.18402	2.5
461.19293	2.2
462.20682	1.5
469.16522	1.5
470.17194	1.2
471.22156	6.7
472.23206	3.8
473.19611	4.7
474.20731	0.8
475.17499	2.2
476.18149	1.2
485.19952	4.0
486.20618	4.5
487.21970	1.9
488.22891	0.9
489.19009	2.3
489.24081	1.3
490.19168	3.3
491.20743	2.0
499.21301	10.1
500.22891	3.5
501.23459	1.2
502.19843	1.9
503.24350	2.4
513.19177	5.1
516.21515	1.7
517.22241	12.2
519.20410	1.1
521.25262	1.1
527.20807	2.7
528.21405	1.0
529.22186	1.1
531.24573	8.2
543.23810	1.5
545.21826	0.8
549.24902	6.5
559.23358	68.7
560.23981	2.1
577.24396	2.5
587.22839	13.5
591.25555	5.4
605.24017	7.5
609.26770	1.4
619.25433	73.3
620.25867	1.1
636.40729	1.3
637.26477	100.0
638.26666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13477	0.8
61.65636	1.0
67.05485	1.8
69.57497	7.2
74.67570	1.0
81.07051	1.7
93.07024	0.9
113.02457	0.8
202.16042	2.3
234.21584	1.0
273.30399	0.9
300.13626	4.0
635.41205	100.0
636.41370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34208	0.3
71.59514	0.7
81.07038	0.5
93.07022	0.4
95.08602	0.8
109.06494	0.4
109.10181	0.4
116.26012	0.3
140.77849	0.4
178.66081	0.4
202.15927	1.0
203.16277	0.6
205.61606	0.5
300.13693	1.1
301.13950	0.6
306.06808	0.3
635.43341	100.0
636.43616	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15258	1.7
53.03940	5.3
53.25554	1.4
55.01855	5.0
55.05506	17.5
57.03421	5.4
57.07045	3.0
59.04986	2.9
65.03923	5.1
67.05499	100.0
69.03069	3.0
69.03424	35.5
69.07054	11.4
71.01321	1.7
71.04982	4.9
71.59408	2.5
79.05059	2.6
79.05489	32.3
81.03407	22.3
81.07049	40.3
83.04968	8.2
83.08195	1.4
83.08613	9.8
85.02883	6.0
85.06557	2.5
87.81780	1.5
91.05471	33.3
93.07033	31.7
93.60320	1.4
95.04990	10.4
95.08044	2.0
95.08598	25.9
97.02879	5.1
97.06509	4.6
97.10157	6.7
99.04442	2.2
99.08070	2.0
105.07019	22.3
107.04926	3.6
107.08588	20.1
109.02869	4.8
109.06505	4.2
109.10143	57.8
111.04432	5.8
111.08048	4.6
112.96778	1.4
113.09667	2.1
115.05434	1.9
117.07019	14.8
119.08569	21.0
121.06508	1.6
121.10146	13.1
123.04443	1.5
123.08092	3.3
123.11689	2.7
125.09609	4.6
127.03883	4.3
128.06219	3.2
129.06975	9.1
131.04915	1.6
131.08545	19.0
133.06445	4.3
133.10120	14.9
135.08034	5.1
135.11694	8.6
137.09589	4.8
137.13264	2.0
139.11206	2.3
141.07011	2.5
143.08559	8.6
145.06491	2.2
145.10094	16.4
147.08029	3.7
147.11679	9.8
149.09583	3.3
149.13255	2.1
155.08519	3.9
155.10690	3.4
157.10100	5.8
159.08003	2.4
159.11708	8.4
161.09605	3.2
161.13261	4.4
163.11217	2.5
165.12773	1.8
169.10118	4.2
171.08044	2.8
171.11670	4.6
173.09613	3.7
173.11720	18.4
173.13269	6.7
175.11224	2.7
175.14809	1.6
177.12694	2.1
181.12212	2.1
183.11626	3.7
185.09586	2.3
185.13222	4.0
187.11174	3.3
187.14786	3.2
189.11246	3.5
189.12775	2.5
193.10188	1.9
193.12221	1.8
197.13217	3.2
199.11060	2.0
199.14760	3.1
201.12708	2.0
209.13406	2.1
215.14426	1.9
226.45282	1.6
227.12610	2.0
229.14270	18.1
229.16125	1.6
235.16853	1.9
241.19635	2.3
259.20496	2.3
273.22107	1.6
277.21658	3.7
289.21545	2.1
299.14868	4.5
301.21613	6.9
303.23062	2.2
315.22891	1.8
319.22534	3.4
327.23163	2.6
335.25696	1.8
341.24670	4.4
345.24277	2.0
351.23264	9.2
355.17566	2.8
369.24139	11.9
387.25159	5.9
405.26053	2.2
408.39166	1.5
443.27753	4.3
461.28827	6.4
469.08801	1.4
489.35666	3.4
597.37329	5.5
615.38867	8.7
633.23120	1.7
633.39978	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1074
Annotation	Myricetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
51.02373	0.3
55.01860	0.4
69.03417	2.2
71.51077	0.6
79.01839	3.7
79.38259	0.3
81.03384	1.3
85.02887	1.6
97.02875	11.0
99.04430	0.9
103.05486	0.3
105.03378	0.3
107.01291	0.7
107.04915	0.4
109.02857	2.0
111.00793	0.6
125.02337	3.4
127.03899	2.6
131.04921	2.1
137.02351	0.4
139.03934	0.3
143.03377	6.8
145.04974	0.6
147.04413	0.8
153.01804	100.0
154.02158	1.2
159.04387	4.2
163.03920	1.8
165.01859	1.2
167.89609	0.3
171.02908	2.0
171.04236	0.4
175.03873	0.9
177.05450	2.0
179.03360	1.6
179.07068	0.4
181.01331	0.9
183.02847	0.8
187.03932	1.8
189.05443	0.4
191.03352	2.3
193.05000	0.4
195.02890	0.4
197.00755	1.1
199.03851	0.3
203.03389	0.8
205.04930	9.1
207.02859	8.7
209.04416	0.8
211.02281	0.7
215.03363	1.9
217.04953	1.2
219.02882	0.7
221.04399	3.3
223.02370	1.4
223.05952	0.5
233.04414	12.5
234.04976	0.3
235.02365	1.3
237.03899	2.8
243.02759	0.6
245.04393	1.2
249.03876	3.4
251.05510	1.0
261.03918	3.4
266.85593	0.3
273.03906	0.8
279.04959	6.3
297.06021	7.5
301.03433	0.4
315.07071	6.0
319.04434	19.6
320.04834	0.4
343.04572	0.7
361.05518	0.5
361.15805	0.4
385.05429	0.4
470.89166	0.4
508.80685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02367	0.8
53.03931	0.6
55.01890	0.4
68.99781	0.4
69.03074	0.4
69.03424	6.2
69.03799	0.3
70.06588	0.3
71.60159	0.3
79.01389	0.3
79.01849	6.3
81.03412	5.5
84.08129	1.3
85.02882	0.7
86.09697	0.5
91.05463	0.8
97.02876	2.7
99.04450	0.3
105.03372	0.3
107.01323	1.3
107.44469	0.3
109.02870	1.9
110.07129	0.3
112.11226	0.3
112.76346	0.2
117.03393	0.3
119.04946	1.3
123.00799	0.3
125.01453	0.4
125.02333	3.9
127.03922	3.6
128.10588	0.2
129.13884	0.2
133.02841	0.5
137.05988	0.2
143.03386	8.5
145.02866	0.7
147.04424	1.4
153.01817	100.0
153.02763	3.6
154.02177	0.8
161.02304	0.6
163.03922	1.7
171.02895	0.4
175.03902	1.9
177.05482	0.6
179.03398	0.4
189.01842	1.1
191.03374	1.7
201.01746	0.5
203.03375	0.3
205.04941	0.8
207.02888	1.9
207.04601	0.3
207.06403	1.4
208.06873	0.3
215.03365	0.3
217.01328	1.8
219.02861	1.4
221.00999	0.3
221.04456	0.6
229.01260	0.4
231.02867	0.4
233.04440	0.9
235.02370	1.8
237.03935	0.3
245.00853	1.4
247.02409	1.4
249.03902	0.3
259.02359	0.2
261.03912	0.4
263.01892	1.1
264.12265	0.6
271.99689	0.2
273.00241	1.4
275.01895	2.0
276.02713	0.3
279.05054	0.6
291.01221	0.3
297.06039	1.5
300.99823	0.5
303.01535	0.2
315.07166	0.6
316.20309	0.2
319.00830	0.6
319.04477	1.9
337.01883	8.5
371.03748	0.3
391.93060	0.2
399.03339	0.4
401.04834	0.3
408.24918	0.4
427.02936	0.3
445.04150	1.1
463.05035	3.6
558.28131	0.5
614.31012	1.2
615.06458	0.3
615.31128	0.8
633.06683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.3
51.02372	0.6
53.00266	0.2
53.03928	0.8
55.01855	0.5
68.99780	0.3
69.03417	9.1
69.16885	0.2
69.67738	0.2
70.12978	0.8
71.04978	0.5
75.92066	0.2
79.01837	4.5
79.05511	0.2
80.22958	0.2
81.03407	6.7
85.02893	1.4
97.02875	7.4
99.04424	1.1
103.05482	0.3
107.01282	1.4
107.04977	0.4
109.02867	3.0
111.00757	0.2
111.82124	0.2
113.49114	0.2
118.36727	0.2
119.04942	0.4
124.35721	0.2
125.02323	4.1
127.03903	6.2
131.04892	1.6
133.02837	0.4
137.02362	0.6
139.03856	0.2
143.03371	7.3
145.04938	0.3
147.04407	0.7
151.03838	0.3
153.01804	100.0
154.02144	0.4
159.04376	3.2
161.02342	0.3
161.05933	0.3
163.03841	1.6
165.01855	0.9
165.05370	0.3
171.02885	1.5
171.04269	0.3
174.48599	0.2
175.03877	0.8
177.05467	1.4
179.03380	1.6
179.06952	0.2
181.01306	0.6
183.02798	0.3
187.03856	1.1
189.01768	0.6
191.03375	2.0
193.01276	0.4
193.04921	0.4
195.02821	0.4
197.00803	0.7
199.03938	0.3
203.03352	0.7
205.04916	4.8
207.02863	6.6
209.04494	0.4
211.02251	0.3
215.03369	1.4
215.31543	0.2
217.01251	1.2
217.04944	0.8
219.02762	1.5
221.00810	0.2
221.04355	2.6
223.02350	0.8
231.02870	0.6
233.04410	7.4
235.02315	2.0
237.03859	1.8
243.02895	0.6
245.00798	0.9
245.04451	0.5
247.02405	0.9
249.03899	2.0
251.05455	0.7
261.03961	2.5
263.01852	0.6
273.00223	0.8
273.03973	0.8
274.86288	0.2
275.01886	0.7
279.04935	5.2
297.02814	0.4
297.06039	6.8
298.19955	0.2
300.99741	0.3
301.03342	0.2
303.01328	0.4
315.07108	4.4
315.10620	0.3
319.00870	1.1
319.04407	12.4
329.02939	0.6
331.04294	0.3
337.01724	2.3
343.04520	0.7
361.05701	0.6
368.15710	0.2
370.29926	0.2
385.05341	0.5
415.16595	0.2
445.03854	1.5
463.04697	1.9
481.09579	0.7
615.05969	0.8
633.06866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05062	1.1
53.03942	1.3
55.01875	2.8
55.05505	7.5
58.99581	8.2
65.10367	1.2
67.05502	9.1
69.03412	2.1
69.07056	9.3
71.04989	2.0
71.60021	1.5
71.60655	1.3
74.00662	2.7
76.02225	29.6
76.03990	3.6
77.71143	1.1
79.05496	7.6
80.04994	1.8
81.07048	14.9
83.04971	2.7
83.06096	3.2
83.08601	5.4
84.04501	11.9
85.02901	2.6
86.99046	2.8
88.02230	2.0
91.05486	9.3
93.07042	7.5
95.04964	3.9
95.08592	5.8
95.12782	1.2
97.01122	1.9
97.02898	2.4
97.06534	2.5
97.10154	4.7
99.05575	2.4
105.07032	8.2
107.04920	3.2
107.08625	6.4
109.02888	3.1
109.06486	2.8
109.10178	3.0
110.07220	1.4
111.02658	1.3
112.02155	4.0
113.00603	3.4
116.01673	12.0
117.06976	1.9
118.98660	1.3
119.08556	3.6
120.08090	1.2
121.06497	2.6
121.10110	2.4
121.10932	1.3
123.04479	1.9
123.07987	2.6
124.02174	4.6
125.09634	5.2
126.03721	4.0
129.06679	1.6
130.05009	7.1
131.08566	1.9
133.10136	3.8
135.02701	1.5
135.08044	1.9
135.11705	1.4
136.02185	1.9
138.03641	1.8
140.01685	1.8
142.03185	3.7
143.08540	1.6
144.01143	5.2
145.06180	2.4
145.10088	2.6
147.07899	1.8
151.05731	1.5
153.01822	4.7
153.12744	2.5
155.08162	2.1
159.08092	1.3
160.11243	1.5
161.09615	3.1
162.02211	14.2
163.05873	1.3
163.11169	2.2
170.02730	1.9
177.03331	4.5
179.04845	14.3
185.03757	3.6
187.05370	2.6
192.08398	1.6
193.06857	2.6
193.12297	2.3
194.10017	4.4
215.04884	2.1
224.10995	3.0
227.12781	3.6
231.04326	5.5
233.05869	7.1
240.10481	4.3
242.12090	2.9
254.12044	4.1
266.12094	3.0
271.17145	1.6
278.12048	3.5
284.13318	2.4
289.17920	4.8
291.06448	1.5
297.12549	1.6
303.14029	2.0
307.19037	5.0
308.09192	6.7
311.14151	5.4
321.15244	10.8
329.15720	1.6
338.17795	1.4
345.14844	1.3
346.18164	7.4
347.16711	3.9
357.14658	9.6
364.19373	22.1
365.17770	8.2
369.14709	3.1
382.20520	7.0
392.19119	2.7
409.48627	1.6
449.20752	4.4
467.22061	21.5
485.23120	100.0
557.25360	8.2
596.26233	2.9
614.26666	3.0
632.28448	5.4
653.92542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
61.79338	0.4
69.03426	1.1
70.06585	0.6
71.59767	0.6
79.01836	2.9
81.03403	0.8
85.02873	2.0
86.09679	0.5
97.02886	11.3
97.03504	0.6
99.04450	0.7
103.05441	0.7
107.01305	1.1
109.02873	1.2
116.65817	0.4
119.04905	0.5
125.02335	3.2
127.03913	2.3
130.20616	0.4
131.04913	2.8
140.92746	0.4
143.03383	7.4
145.04941	0.6
147.04393	0.9
149.05939	0.5
151.03944	0.4
153.01816	100.0
154.02205	0.9
159.04410	5.3
161.06059	0.5
163.03893	1.9
171.02971	2.1
171.04242	0.4
175.03870	1.1
177.05399	2.1
179.03378	1.3
179.07007	0.4
181.01283	0.9
187.03877	2.3
191.03334	2.6
197.00809	0.8
203.03311	0.9
205.04938	9.6
207.02869	9.0
207.50360	0.4
209.04440	1.0
211.02402	0.6
215.03418	1.7
217.05011	0.8
219.02748	0.7
221.04451	4.0
223.02406	0.7
223.05971	0.4
229.04985	0.6
233.04437	12.7
235.02408	0.5
237.04004	2.9
243.02777	0.5
249.03851	3.2
251.05466	0.9
261.03888	3.6
267.05035	0.4
273.03818	0.4
279.04977	6.9
285.04037	0.8
297.05997	6.7
302.04208	2.6
315.07004	5.6
317.02829	0.9
317.06546	16.5
358.18222	0.5
404.98926	0.8
405.25528	0.4
423.00153	1.4
438.18784	0.4
483.00006	0.6
549.03223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1285
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02374	0.6
55.01856	0.4
69.03404	1.0
70.06587	0.4
79.01835	3.4
79.53295	0.3
81.03396	0.4
85.02895	1.9
86.09689	0.6
88.79933	0.3
91.05473	0.4
95.88113	0.4
97.02877	11.6
98.21509	0.7
99.04426	1.0
105.83585	0.4
107.01294	1.2
109.02871	1.4
118.73267	0.3
119.04916	0.4
125.02310	3.0
126.38715	0.4
127.03915	2.3
131.04900	2.6
143.03378	5.6
145.04959	0.5
146.99442	0.3
147.04367	1.0
151.03893	0.4
153.01808	100.0
154.02170	1.3
159.04402	4.1
160.92328	0.4
161.05942	0.6
163.03911	2.2
165.01826	0.5
165.05527	0.3
165.30721	0.4
167.03427	0.4
171.02919	2.1
175.03905	1.3
177.05450	2.3
179.03369	1.7
179.07126	0.4
181.01271	1.1
183.02853	0.5
187.03847	1.8
191.03357	2.3
197.00748	0.9
202.63091	0.3
203.03439	0.5
205.04936	8.9
207.02870	8.5
209.04416	0.8
211.02341	0.9
215.03371	1.8
217.04987	0.8
221.04416	3.6
222.04668	0.4
223.02319	0.9
229.05005	0.7
229.85327	0.4
232.05751	0.3
233.04414	11.5
233.06664	0.7
235.02348	1.5
237.03992	2.2
243.02867	0.8
249.03951	3.3
251.05531	0.9
257.04282	0.4
261.03912	4.0
274.04712	0.7
279.04950	7.2
285.03815	0.9
297.06027	7.2
302.04129	1.9
315.07059	5.7
315.58755	0.4
317.06540	16.8
319.11914	0.4
327.42404	0.3
341.06473	0.4
388.94919	0.3
404.98715	0.5
422.99875	1.2
433.69995	0.4
549.03040	1.2
578.55103	0.4
651.97522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.273
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
61.92253	0.4
67.05512	0.7
81.07074	0.6
85.95565	0.4
89.06043	0.8
93.07038	0.5
98.20659	1.0
130.75175	0.4
130.91328	0.4
133.65741	0.5
136.03955	1.2
227.50706	0.5
229.29088	0.4
385.46924	0.5
434.04532	0.5
629.27350	100.0
630.27643	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	630.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32537	0.4
55.05503	2.3
57.07070	33.1
67.05490	1.3
69.07048	1.5
71.08624	24.1
73.06551	9.0
76.63502	0.5
81.07030	0.8
83.08621	3.1
85.10174	21.6
87.04462	7.7
89.06022	100.0
91.05462	0.5
91.07596	1.4
93.07014	0.8
95.08614	1.0
96.85870	0.4
97.03869	0.4
97.10162	3.4
99.11722	3.7
105.07045	0.5
107.07059	5.8
109.10157	0.7
111.11723	0.9
113.13277	1.5
117.09115	7.9
117.09882	0.7
130.08607	4.4
131.07088	2.1
133.08588	51.8
135.10164	1.0
151.09654	0.8
155.17926	5.2
155.19043	0.5
158.81248	0.5
161.11722	1.8
175.09676	1.3
177.09656	1.2
177.11205	21.8
179.12825	0.7
199.20552	4.8
221.13777	3.5
229.27078	0.5
239.14954	2.0
240.23358	1.4
243.23181	8.9
243.25479	0.7
265.16473	0.8
283.17542	1.4
287.25717	4.7
327.20041	0.8
343.26678	0.5
353.21600	0.5
371.22955	0.7
393.32144	0.5
415.25775	0.6
459.28104	2.0
489.35477	2.4
613.45319	3.8
630.48431	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	629.2239
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
70.30769	0.4
70.34609	1.9
80.48813	0.5
85.11400	0.4
90.72952	0.4
108.25726	0.4
176.03101	0.5
239.98260	0.5
297.77707	0.5
395.11127	0.5
396.12347	1.9
397.12943	2.8
398.13904	1.7
399.14609	2.0
400.15283	1.0
409.13144	1.0
410.13489	3.8
411.14471	7.4
411.19095	0.7
411.24487	0.5
412.15265	5.7
413.16101	4.7
414.17020	0.7
423.14526	1.6
424.10550	0.8
424.16107	3.5
425.16241	18.3
426.16873	10.2
427.17654	4.0
428.18567	4.6
429.19217	0.6
437.16312	1.3
438.12216	4.4
439.13510	23.6
440.13608	1.5
440.19174	7.6
441.19238	45.8
442.19727	3.9
444.18469	0.5
451.13736	1.0
452.14200	4.6
453.15323	28.5
454.15732	7.0
455.16565	0.8
455.21616	0.7
456.18161	0.9
457.14908	1.0
458.20901	0.6
463.14224	0.6
465.15848	0.9
466.16904	0.9
467.17099	30.9
468.17838	24.0
469.18649	12.6
470.19101	1.3
471.16183	2.2
472.17526	1.8
480.17136	1.3
481.14404	10.1
482.15912	2.4
484.21817	4.1
485.18387	3.0
485.23398	0.5
486.18979	0.9
494.17493	1.1
495.16858	2.0
495.21646	0.8
496.17007	15.2
497.17221	3.1
498.19321	2.1
499.19562	1.3
500.20660	5.0
508.19086	0.7
509.18372	1.6
511.21054	0.5
512.21246	2.8
513.22101	4.5
514.17444	0.8
522.17761	0.8
523.19635	1.6
524.19720	0.6
525.20801	0.8
526.18176	1.1
527.18951	0.9
528.19666	1.1
537.18433	1.3
539.18719	0.6
541.20795	51.4
542.20929	3.1
551.18500	0.6
553.21136	1.2
554.17157	0.6
556.19537	0.5
568.18683	0.8
569.20209	100.0
570.20575	7.9
572.19061	1.0
573.23529	3.7
597.19556	29.3
598.19958	2.0
600.22192	2.1
601.22821	15.2
602.23047	1.2
611.21075	0.7
615.20648	2.0
629.22125	76.2
630.22235	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	629.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
55.01851	0.6
57.03427	0.4
63.07462	0.3
65.03924	0.7
67.05474	0.4
68.97234	0.3
69.03419	1.0
69.29110	3.7
71.04980	0.8
73.02911	0.8
79.01855	4.8
79.05471	0.9
81.07036	1.0
84.27544	0.3
85.02896	1.0
91.05487	2.2
93.03477	0.3
93.07041	0.3
94.04170	1.3
95.04971	0.7
95.08591	0.7
97.02878	1.4
99.04431	0.5
103.05454	0.8
105.07026	0.6
107.01296	1.0
107.04967	0.6
107.08604	0.7
109.06526	0.5
111.04435	0.7
115.02078	0.3
115.05471	1.3
117.07015	1.4
119.04942	1.3
119.08588	0.6
121.06500	1.1
121.10153	0.4
122.03651	2.7
123.08048	0.4
125.02339	3.5
128.06241	0.8
129.06979	1.0
131.04906	1.4
135.04395	0.8
136.83379	0.3
137.05972	35.5
139.03865	1.0
140.98976	0.3
141.06989	0.4
143.03386	7.8
143.04881	1.0
143.08545	0.4
145.02806	0.5
145.06467	0.9
147.04402	1.6
147.08083	0.3
149.05989	0.9
149.09628	0.5
151.03902	0.7
151.07538	4.0
153.01823	100.0
154.02193	1.0
155.08566	0.4
157.06499	0.9
160.05190	1.0
161.05992	2.2
161.09558	0.4
163.03946	0.5
163.07564	2.9
165.01891	0.4
165.06982	0.7
165.09058	0.4
167.03401	2.7
167.07010	1.4
167.08421	0.5
168.05713	0.3
169.06482	0.8
171.08040	0.6
172.05220	0.3
174.06871	0.8
175.07545	5.5
177.01814	1.3
177.05457	4.3
177.09082	2.9
178.07938	0.4
179.03336	0.3
179.07048	0.9
181.04993	0.9
181.06462	0.5
182.07233	0.4
183.02863	0.6
183.08015	1.2
185.06010	0.4
187.07541	1.7
189.05414	0.9
189.09102	1.9
191.03389	0.7
191.06987	0.8
193.08600	0.4
195.02902	4.9
195.08418	0.5
195.10165	1.3
199.07518	1.1
200.04639	0.3
201.09160	1.4
203.07019	1.0
205.08597	0.6
207.06540	0.6
211.07607	0.7
213.09113	0.9
215.07056	0.6
215.10693	0.5
217.08592	1.5
219.02902	1.9
219.08150	0.6
219.10179	1.1
221.06157	0.3
221.09645	0.8
225.09119	0.7
229.08473	0.4
231.10085	0.7
233.11870	0.5
235.09673	0.5
237.09171	0.6
241.08647	0.7
243.10196	0.9
245.04466	0.5
245.09651	0.6
247.07533	0.4
249.09108	0.9
253.12282	0.9
255.10223	0.4
257.09589	0.7
259.09717	0.9
260.08374	0.3
261.09052	0.6
262.09885	0.5
263.05411	1.8
265.08600	0.5
273.08987	0.5
274.09946	0.4
276.07840	0.4
277.08594	0.7
279.10141	1.0
281.11691	0.8
285.08862	0.4
287.13004	0.6
289.12112	0.6
291.10092	0.6
293.08240	0.4
293.14081	0.7
295.09705	0.4
299.12759	0.5
301.07324	0.6
302.09332	0.6
303.10001	0.6
305.11716	1.0
307.09445	0.4
307.13123	0.3
309.11337	0.7
311.12924	0.6
313.14383	1.9
317.11481	2.8
318.12262	0.4
320.10489	0.4
321.11182	1.4
323.12869	0.4
325.14349	0.4
327.12332	0.6
329.10220	1.7
331.15421	1.2
334.11981	0.4
335.12793	1.1
337.14325	1.0
339.15906	0.7
343.15372	0.7
345.09644	1.8
347.11783	0.5
349.14389	2.2
355.15527	0.7
365.13940	0.7
367.15387	5.2
371.11340	0.9
385.16788	0.7
405.16995	1.1
423.18045	1.6
441.19220	0.5
447.09915	0.4
480.20944	0.4
495.16412	0.9
507.16583	1.0
517.15076	0.4
519.16547	5.2
549.17242	0.4
575.19159	0.7
629.31696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01863	10.7
55.05506	31.1
57.03425	7.8
57.07064	4.4
59.05001	1.7
59.72750	1.6
65.03941	3.4
67.05496	90.1
69.03439	3.2
69.07063	31.8
70.78665	4.6
71.04993	5.8
79.05487	65.2
81.03403	3.9
81.07049	100.0
83.04975	6.8
83.08603	15.7
85.06554	4.5
89.06038	2.0
91.05467	60.7
93.07035	69.8
95.04971	14.8
95.08596	63.3
97.06507	14.0
97.10172	5.8
99.08087	3.0
103.05539	1.7
105.04543	1.7
105.07022	50.7
107.04951	8.4
107.08578	43.4
107.09277	3.0
109.06502	11.9
109.10149	29.0
111.08067	4.5
115.05399	1.8
117.07005	15.7
119.08566	41.8
121.06487	4.2
121.10131	29.2
123.08084	7.3
123.11717	11.4
125.09650	5.6
128.06229	2.1
129.07018	7.8
130.07797	2.2
131.08553	29.2
133.08618	2.1
133.10124	29.4
133.11079	2.4
135.08073	4.5
135.11679	14.0
137.09645	3.9
137.13292	3.7
139.11159	2.8
141.06989	3.1
142.07784	2.1
143.08571	8.0
145.10109	27.7
147.08090	2.9
147.11681	25.5
149.09604	12.3
149.13257	8.9
151.11172	2.4
155.08611	3.9
157.10110	9.6
159.11658	19.2
161.09560	2.1
161.13234	10.4
163.11124	7.6
163.14859	3.5
165.12764	4.8
169.10153	5.0
171.11652	7.5
173.09782	1.6
173.11957	2.0
173.13194	9.4
175.11234	3.2
175.14793	3.5
177.12839	2.1
179.10648	1.6
183.11684	4.3
185.13306	5.1
187.14832	5.5
189.11188	2.0
189.12799	1.8
189.16444	2.2
197.13330	6.1
199.14830	2.8
201.16481	3.6
205.19652	2.1
211.14940	2.0
213.16406	3.5
227.12723	3.8
229.19533	2.8
233.18799	1.8
239.18051	4.8
243.21144	2.2
247.20599	4.9
255.15825	1.8
257.18954	9.9
259.20355	2.5
261.22223	6.7
267.15857	3.0
275.20038	53.2
277.21658	2.6
285.10236	2.3
293.21005	7.9
317.24731	1.9
333.24106	3.0
335.25735	34.6
349.23688	21.5
367.30237	2.9
515.37219	2.5
517.40485	2.0
529.38660	2.8
535.41339	3.7
553.42615	3.7
609.45166	33.9
627.46136	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.5
55.01855	13.8
55.05505	33.9
57.03441	16.0
57.07056	4.3
65.03918	5.4
65.46864	3.7
67.05495	92.4
69.03404	4.5
69.07062	36.7
70.78691	3.9
70.79050	10.1
71.04974	6.5
79.05057	5.2
79.05486	78.9
81.06573	5.5
81.07044	100.0
83.04974	7.7
83.08617	20.3
85.06514	3.9
91.05467	59.5
93.07029	68.9
95.04964	19.8
95.08595	71.9
97.06495	17.0
97.10145	12.5
99.08077	11.6
105.07024	55.9
107.04932	10.9
107.08588	43.6
109.06489	6.1
109.10133	27.1
111.08081	6.1
113.09606	4.0
117.07008	19.0
118.18555	3.2
119.08566	42.4
121.06517	4.3
121.10116	27.9
123.08030	6.1
123.11691	9.3
125.09614	9.0
128.06335	3.2
128.09737	3.3
129.06978	13.7
131.08553	35.0
133.10106	32.9
135.08075	4.0
135.11676	14.4
137.09619	4.3
137.13193	3.9
141.06912	4.5
142.07747	5.4
143.08556	15.9
145.10115	40.2
147.11662	25.3
149.09631	17.2
149.13222	10.6
155.08508	8.4
157.10110	24.5
159.11684	28.6
161.13254	13.7
163.11128	10.1
169.10094	14.4
171.11656	23.9
173.13228	18.8
175.14838	5.5
177.12715	3.3
181.10144	6.3
183.11687	12.5
185.13222	14.9
187.14781	4.7
189.11189	5.5
197.13226	10.1
199.14783	7.5
201.16394	6.3
209.03625	3.1
211.14807	7.4
213.16441	4.8
219.17410	7.0
221.13316	3.7
223.14888	5.3
225.16580	3.5
227.12813	9.1
239.17928	5.5
257.18893	11.5
259.20535	4.4
261.22156	5.3
275.20038	57.0
293.20905	4.0
317.24814	4.1
323.23721	5.2
331.22574	4.9
333.24283	4.1
335.25784	46.6
349.23630	25.7
367.30292	4.7
367.50275	3.6
423.32303	3.9
515.37500	5.4
517.40338	11.8
529.38605	4.3
535.41193	13.8
553.42462	9.5
555.40515	16.7
609.35925	6.2
609.45142	71.1
627.46124	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	627.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91483	0.2
56.96434	11.6
56.96754	5.2
67.05389	0.3
70.31979	0.5
70.32374	0.8
71.95116	1.9
71.95548	0.5
72.95900	0.8
72.96254	0.2
74.44270	0.3
74.97464	1.2
74.97926	0.4
80.48981	0.2
81.06917	0.4
81.29030	0.2
84.01152	0.2
84.95875	1.2
91.05357	0.2
92.98482	0.7
92.99018	0.3
94.52886	0.2
95.08456	0.3
97.96740	0.6
98.20763	0.3
98.97478	0.3
102.96845	0.4
105.00039	0.2
110.97522	1.6
115.97684	0.7
116.98428	0.7
123.01019	0.7
128.30013	0.2
128.98586	5.3
128.99420	0.3
133.98692	0.8
134.18152	0.3
134.99532	0.6
137.02599	0.3
137.31471	0.2
141.02136	0.5
143.00027	0.3
146.99635	12.1
147.03070	0.7
151.99873	0.5
155.03590	0.9
161.01225	2.5
161.04703	0.7
165.00711	3.0
169.01573	0.3
169.05264	0.6
170.01039	0.9
171.03180	0.6
175.02690	0.6
175.06268	0.4
177.71852	0.3
179.02177	1.2
179.05649	0.2
181.05261	0.3
183.06842	0.3
185.04688	0.7
187.02678	0.4
188.03481	0.3
189.04379	1.8
190.05013	0.4
191.03604	0.3
193.03732	0.6
195.05196	0.3
197.04739	0.3
199.06296	0.4
203.05893	1.3
207.06998	0.3
208.06021	0.4
209.08464	0.4
215.05818	0.4
217.07347	0.5
219.08865	0.2
223.08258	0.4
225.07779	0.3
227.09534	0.5
228.06667	0.3
239.09572	0.3
241.11111	1.5
245.08290	0.3
245.10471	1.0
246.93056	0.3
249.07861	0.2
252.10384	1.2
258.11246	0.3
259.12015	1.6
263.09552	4.2
264.10303	0.6
265.11084	0.4
270.11356	1.5
277.10971	0.9
281.10458	1.3
282.11182	0.3
283.12051	0.3
289.11032	0.3
291.12558	0.4
303.12543	2.0
313.14728	0.7
315.16251	37.0
316.16458	0.5
317.14133	0.4
321.13510	0.8
331.15811	2.6
333.17316	100.0
334.17554	1.6
335.15143	0.3
349.16962	0.5
351.18381	60.2
352.18674	1.2
354.17477	0.2
356.18918	16.7
357.19263	0.5
369.19550	1.9
374.15317	0.5
374.20001	9.3
375.20587	0.3
392.20981	0.4
397.21844	0.4
547.30115	0.2
567.26703	0.3
591.37128	1.8
627.28326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	15.1
67.05433	0.3
70.32213	1.1
71.95252	2.2
72.96029	0.8
74.97594	1.5
79.05479	0.4
81.07025	0.6
84.96010	1.1
92.98606	0.3
94.40079	0.3
97.10126	0.4
97.96825	0.7
98.97555	0.4
99.73950	0.3
102.97065	0.3
105.06990	0.4
110.97588	1.3
115.97816	0.7
116.27760	0.3
116.98584	0.5
123.01189	0.6
127.03845	0.3
128.98589	4.4
131.08511	0.4
133.98845	0.9
134.99620	0.8
137.02725	0.5
141.02182	0.6
146.99648	9.6
147.91652	0.3
155.03802	0.9
161.01218	1.6
161.04832	0.6
165.00693	3.3
169.01544	0.3
169.05371	0.6
170.01257	0.8
171.03166	0.5
179.02237	1.0
181.05234	0.4
185.04784	0.4
187.02733	0.5
189.04309	1.7
190.05209	0.5
193.03815	0.9
201.04269	0.4
203.05876	1.4
221.08629	0.4
222.07710	0.3
225.07935	0.4
227.09521	0.8
231.08838	0.5
235.06427	0.3
241.11130	1.0
243.09068	0.7
245.10529	1.1
259.12271	1.6
261.95563	0.3
263.09464	2.7
264.10269	0.4
265.11121	0.8
270.11465	0.4
277.10947	0.7
281.10605	1.1
282.11356	0.5
284.34265	0.3
289.11087	0.5
292.49658	0.3
295.12088	0.5
303.12653	1.3
303.15942	0.4
305.14148	0.4
306.36771	0.4
313.14563	0.7
315.16251	34.3
317.14124	0.6
321.13763	1.0
331.15714	2.3
333.17322	100.0
334.17700	1.5
351.18378	28.4
352.18787	0.5
356.18945	14.6
357.19397	0.4
359.60263	0.3
374.15323	0.4
374.20013	6.8
529.37952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2808
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05498	2.2
79.05483	1.9
81.07098	1.0
82.71094	1.0
85.92684	1.0
91.05470	2.2
93.07063	1.3
95.97602	1.1
105.07033	1.5
107.08543	1.2
108.45982	1.2
120.75977	1.0
123.20639	0.9
130.06586	1.1
131.08542	1.0
136.07625	1.4
150.86292	1.1
172.07587	1.1
174.09169	3.6
187.08701	1.3
187.12294	4.4
188.10672	2.3
197.10651	1.1
198.09196	1.6
211.08609	2.0
215.11795	3.0
225.10281	3.8
227.11855	4.5
235.08711	1.4
237.10249	1.3
239.11856	2.7
241.13373	2.7
243.11264	25.1
249.10359	2.4
251.11845	1.5
252.08923	1.6
253.09717	1.9
263.11942	1.4
265.09769	1.2
267.11258	5.5
269.12906	2.4
277.09821	2.7
283.14456	1.1
285.12433	3.4
295.10629	1.4
301.15640	3.8
309.12476	1.5
314.12781	2.5
315.13623	1.5
316.14410	1.6
319.10666	1.3
325.15436	8.3
327.13293	6.9
328.10767	2.5
328.14401	1.7
329.11542	1.8
329.15421	1.5
330.12308	2.4
334.15356	1.4
342.12454	4.7
342.15979	1.6
343.13199	2.3
344.13895	3.9
346.15442	2.2
348.13391	2.5
356.13864	5.0
357.14743	1.5
358.15552	3.3
370.11319	1.2
370.15610	2.6
372.17148	4.2
373.18042	1.7
385.17575	1.3
386.14493	2.1
386.18982	2.3
390.18091	1.3
398.15039	1.4
400.16592	2.7
403.16092	1.1
406.17886	1.2
416.15997	1.3
420.16495	1.2
430.17706	2.0
432.19205	3.9
435.13800	1.3
437.20010	1.5
447.21753	3.2
451.17712	3.7
460.18768	1.8
461.23624	2.3
462.23743	3.6
463.21854	2.2
465.18820	14.4
477.19305	1.4
478.19748	1.5
479.20474	6.3
480.21521	4.6
481.22153	4.0
489.22778	2.1
490.21210	1.4
491.20929	1.9
492.21436	4.2
493.22733	4.8
495.16620	2.2
504.21295	3.7
507.23477	3.4
517.22009	1.9
522.23486	1.1
535.23474	7.3
549.24878	13.8
550.24054	1.6
552.23352	1.5
563.22888	1.2
567.19598	3.9
567.26019	74.6
568.26837	2.1
577.24188	2.6
595.25476	52.7
609.27087	1.6
627.28021	100.0
628.20886	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	627.1551
Annotation	Myricetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.83704	0.2
53.03941	0.4
54.59447	0.1
55.01851	0.2
55.05490	0.4
57.03180	0.2
57.03435	2.2
59.04996	0.2
61.02918	2.0
61.65125	0.1
63.27459	0.1
67.55996	0.1
68.97616	0.2
68.99789	0.9
69.03416	0.5
69.55575	1.1
71.01337	0.2
71.04989	12.2
73.02924	0.8
75.04471	0.5
81.03395	0.4
83.04973	0.6
85.02899	16.8
87.04449	0.2
91.03940	1.1
92.73907	0.1
97.02319	0.1
97.02894	1.1
109.02855	0.8
111.00797	2.1
111.04434	0.7
115.72692	0.1
121.02889	0.4
123.58592	0.1
125.02401	0.3
126.03113	0.2
127.03925	0.8
129.04478	0.2
129.05463	3.7
129.06375	0.3
137.02313	1.7
139.03862	0.4
145.04924	0.3
147.04422	0.2
147.06485	1.1
149.02335	0.2
153.00568	0.4
153.01811	8.4
153.05533	0.3
161.02182	0.2
165.01817	3.0
166.02647	0.3
175.03931	0.2
177.05434	0.3
178.57594	0.2
179.03374	1.0
183.02895	1.2
189.05481	0.7
195.02896	0.5
199.03992	0.2
203.03320	0.4
207.02870	0.4
217.04922	2.8
219.02975	0.2
221.04315	0.2
227.03386	0.4
229.04965	0.2
231.02809	0.2
235.02122	0.2
235.05927	0.2
239.01678	0.2
245.04454	4.1
249.03693	0.2
255.02895	0.4
263.05399	0.4
272.03152	0.3
273.03900	4.3
283.02310	0.2
290.04205	1.1
301.03360	1.1
303.04959	0.7
319.04459	100.0
320.04785	1.5
331.04446	0.5
343.04434	0.2
361.05615	0.6
385.05414	0.6
463.08597	0.2
464.94412	0.2
465.10284	0.6
481.09863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55394	0.6
53.03940	1.4
55.01860	1.3
57.03411	1.8
61.02899	2.5
64.02435	0.6
68.99782	1.0
69.03417	5.1
70.06577	1.6
71.58140	0.9
73.02906	0.7
81.03411	3.8
83.01330	1.5
85.02421	0.9
85.02897	14.3
89.85613	0.6
89.86823	0.7
96.43664	0.7
97.02899	4.8
99.04437	0.8
107.04937	0.7
109.02829	2.8
119.04915	0.6
120.29927	0.7
121.02843	2.3
123.04388	0.8
127.03902	3.2
135.04375	2.8
137.01344	1.3
137.02327	16.2
137.03348	1.1
145.02885	0.8
145.04959	1.9
149.02277	0.9
151.03893	1.8
153.01810	2.8
161.02327	1.3
163.03914	1.2
165.01810	3.1
167.03336	1.9
169.01273	1.1
171.02844	0.7
175.03944	1.0
177.01886	1.4
177.05377	1.1
179.03377	1.3
181.01335	1.7
183.02872	7.2
186.01654	1.2
187.03888	0.9
191.03340	2.4
193.01329	1.0
195.02844	3.6
199.02480	3.3
200.03114	0.8
203.03268	1.4
205.04919	1.8
207.02864	1.2
211.02327	2.6
215.03394	0.7
221.04457	0.8
225.05461	0.7
229.04817	1.3
231.02821	0.7
231.06651	0.7
233.51332	0.6
239.07066	0.8
241.04826	1.2
243.06438	1.6
247.05991	0.8
253.04893	1.2
255.06505	0.9
257.04419	1.2
261.03922	1.5
269.04407	2.8
271.05890	3.9
277.03473	0.7
281.04532	1.2
281.07678	0.7
283.05997	0.6
285.04074	3.1
285.06961	0.7
287.05496	3.6
295.06061	1.2
297.03995	0.8
299.05444	12.5
301.07077	1.9
302.04196	8.1
303.04959	37.9
309.07477	1.1
311.05533	1.8
313.03439	1.8
313.07028	3.9
315.04941	61.4
316.05563	6.2
317.06528	2.9
323.05469	1.7
325.07144	1.3
327.04956	9.8
329.06403	5.6
337.07065	2.5
339.05121	1.1
340.05661	1.2
341.03033	0.7
341.06509	15.5
345.06009	100.0
346.06448	0.8
353.06473	2.6
355.08133	8.7
357.05878	0.7
365.06247	3.6
369.05997	35.8
381.06012	7.1
383.07565	2.6
393.06097	7.3
399.07050	21.2
411.07025	13.7
411.11520	0.5
429.08133	17.9
447.09189	26.4
449.10538	1.2
465.10254	30.4
507.11029	0.9
596.88678	0.7
627.15564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01854	9.0
55.05507	34.9
57.02798	2.0
57.03422	13.0
57.07069	3.1
65.03926	4.6
66.08228	1.7
67.05495	53.3
69.07058	25.3
71.04983	5.6
77.78811	1.7
79.05055	3.0
79.05481	37.6
81.03401	3.7
81.07042	56.9
83.04979	5.7
83.08608	16.1
85.06524	4.3
89.51201	1.8
91.05465	38.8
93.07029	48.5
95.04948	10.9
95.08588	40.5
95.09166	3.6
97.06530	7.1
97.10146	10.5
99.08073	4.1
105.07021	33.8
107.04961	3.5
107.08599	23.2
109.06494	12.7
109.10143	18.6
109.18310	2.0
111.08045	4.4
113.09656	2.2
117.06994	19.3
117.38117	2.2
119.08576	26.2
119.91563	2.5
121.06522	3.8
121.10107	13.9
123.08054	4.0
123.11687	10.3
125.09618	7.8
128.06216	4.8
129.06993	20.6
131.08539	26.1
133.10118	23.4
135.08102	4.5
135.11703	8.8
141.07002	7.2
142.07765	5.0
143.08539	27.3
144.09329	2.7
145.10097	25.1
147.11679	14.1
149.09616	4.2
149.13257	4.5
152.52133	1.9
155.08549	15.9
156.09334	2.4
157.10104	26.2
159.11662	19.1
161.09671	2.9
161.13295	6.6
163.11230	4.0
167.08548	5.7
168.09210	3.0
169.10088	26.5
171.11638	20.8
172.77170	2.1
173.13239	10.9
175.14812	4.7
179.08600	4.0
180.09364	3.7
181.10071	14.5
183.11665	24.9
185.13258	13.8
187.14864	6.5
189.11201	3.4
192.09116	2.4
193.10143	7.1
195.11688	13.9
197.13252	18.0
199.14821	11.0
201.16451	2.4
205.10167	2.9
207.11728	6.2
209.13277	9.3
211.14774	10.8
213.16435	5.0
215.14343	2.6
219.05042	2.6
221.13249	4.7
223.14864	8.5
225.16376	6.1
227.12741	3.5
235.14818	3.2
237.16484	5.0
239.18045	3.9
249.16386	2.1
251.18094	3.9
253.19508	2.3
255.17513	3.3
257.19073	3.8
259.20587	4.8
265.19638	3.1
271.20609	2.6
273.18530	4.5
275.20084	7.8
307.20450	2.2
311.23654	2.8
333.24414	4.2
335.25983	2.7
349.25159	2.3
365.28433	4.0
381.31787	3.2
421.30820	3.6
435.33023	2.7
459.32104	3.0
460.97165	2.6
513.35657	11.4
515.38800	9.5
527.37616	4.5
533.39960	14.3
551.40906	8.0
553.38812	8.5
569.38910	2.8
607.43524	46.2
625.26172	3.5
625.44580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01865	8.7
55.05502	35.1
57.03429	8.8
57.07045	1.4
59.04987	3.2
65.03934	3.4
67.05495	58.9
69.03426	4.1
69.07057	26.7
69.46204	11.1
71.04984	5.3
71.87970	1.5
79.05481	41.4
81.03430	1.4
81.07043	61.0
83.04960	5.3
83.08607	15.6
91.05464	34.9
93.07028	40.7
94.30869	1.2
94.57476	1.5
95.04953	7.4
95.08595	32.4
97.06512	11.1
97.10149	10.8
97.63029	1.7
99.08076	1.5
103.05425	2.3
105.07012	34.9
107.04911	3.1
107.08578	30.8
109.06525	4.1
109.10139	17.7
111.08054	2.9
115.05457	4.0
117.06993	19.6
119.08559	26.6
121.06521	3.2
121.10132	15.3
123.08064	2.2
123.11679	11.1
125.09611	11.0
128.06235	5.9
129.06978	18.8
130.07693	1.5
131.08546	27.7
133.06442	1.7
133.10112	23.7
135.08035	3.4
135.11684	7.3
137.09656	2.8
138.91814	1.4
141.06926	8.0
142.07776	4.4
143.08548	25.3
144.09450	1.7
145.06438	2.2
145.10112	24.3
147.11665	10.2
149.09645	3.4
149.13289	4.9
153.06970	2.0
154.07788	1.6
155.08530	18.2
156.09300	3.4
157.10104	22.7
159.08025	2.8
159.11646	17.1
161.13245	9.0
163.11134	2.1
163.14825	1.9
165.06990	3.1
166.07764	1.6
167.08575	10.0
168.09273	2.0
169.10091	17.0
170.10823	2.2
171.11652	17.9
172.12335	1.3
173.09625	2.1
173.13229	12.3
175.11172	2.2
175.14828	3.7
179.08586	2.5
180.09366	1.9
181.10091	10.1
182.10846	2.3
183.11665	20.6
185.09641	1.3
185.13237	13.8
187.13277	3.8
187.14815	5.6
189.11238	3.2
192.09390	1.8
193.10152	3.9
195.11635	12.0
197.13234	14.8
198.13979	2.0
199.14752	8.6
201.16452	2.9
207.11722	4.9
209.13286	9.4
211.14780	10.6
213.12914	1.9
213.16374	6.8
221.13306	3.2
223.14841	5.7
225.16446	5.3
227.12715	7.0
227.17973	3.3
231.17436	1.9
231.20979	1.6
235.14851	5.4
237.16396	3.5
239.17947	6.2
241.19540	5.7
243.15823	3.4
245.19159	1.5
249.16347	3.0
251.17993	3.4
253.19594	3.2
257.19034	3.8
259.20654	4.7
261.16119	1.5
265.19580	2.4
267.21222	2.5
273.18503	2.1
275.20035	7.5
295.20526	2.6
299.23669	1.7
311.23645	2.4
315.22925	1.7
331.22739	1.5
335.26352	2.2
349.23843	5.5
365.28339	8.4
379.29840	3.1
381.31924	3.8
383.29602	2.0
395.29337	1.8
421.31201	3.0
427.30731	1.3
439.32120	3.4
445.31165	1.5
459.82990	1.9
495.34607	3.3
497.37979	1.5
513.35724	18.7
515.38843	5.9
527.37158	4.6
533.39960	10.9
551.40283	7.8
555.37134	3.0
589.42529	2.6
607.43481	45.8
607.53265	2.6
625.25964	4.1
625.44556	100.0
626.44672	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	625.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.2
55.05508	43.8
57.03418	9.3
57.07069	5.8
63.71594	3.6
65.03912	5.2
67.05501	99.6
69.03403	7.4
69.07063	37.3
71.04976	10.4
79.05486	60.3
79.62195	3.9
81.03419	8.0
81.07045	88.0
83.08609	25.2
91.05470	76.7
93.07025	62.3
95.04965	18.8
95.08605	57.1
95.20622	3.9
95.61185	4.8
97.06515	16.2
97.10159	12.8
98.98464	4.7
102.52399	3.9
105.07021	73.7
107.04925	5.6
107.08578	43.4
109.06511	6.4
109.10180	24.3
111.08043	6.4
117.03199	3.9
117.07000	35.5
118.19985	4.8
119.08572	61.5
121.06488	6.6
121.10156	25.9
123.11705	11.7
125.09639	12.5
128.06169	7.0
129.07028	30.4
130.07816	5.9
131.08554	57.7
133.06425	4.2
133.10147	37.7
135.08032	6.2
135.11668	19.6
141.06953	9.0
142.07748	5.8
143.08531	34.1
144.09193	4.7
145.06470	6.6
145.10089	43.6
147.11674	12.2
149.09663	6.0
149.13235	5.0
151.11243	5.3
154.07832	4.6
155.08562	19.0
157.10144	26.7
159.08101	5.8
159.11714	25.3
161.09601	5.2
161.13245	10.4
163.11197	7.5
165.06949	4.9
167.08495	8.1
169.10124	19.6
171.11690	22.9
173.11833	5.2
173.13246	12.9
175.14749	5.9
179.55031	4.6
181.10065	13.4
183.11717	19.2
185.13225	12.7
187.13252	4.8
187.14818	9.3
187.82953	4.1
195.11710	13.4
197.13281	12.5
199.14793	10.0
202.13452	4.4
209.13216	10.5
211.14796	9.5
213.16429	8.5
221.13280	6.0
223.14795	6.5
225.16315	10.3
227.12759	6.8
239.18048	6.5
241.19554	7.5
253.19429	5.9
259.20486	7.1
275.20059	12.9
342.44092	4.5
343.26312	8.1
353.24631	15.6
371.25726	16.9
389.26843	16.3
398.77505	4.6
445.29477	82.8
463.30676	36.2
513.35883	16.8
515.38812	9.6
527.37219	19.8
533.39862	10.0
551.40576	11.9
607.43549	45.8
625.33575	11.8
625.44452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.6
67.05509	23.7
67.41499	3.0
69.07069	6.5
70.77491	7.0
70.77860	6.0
79.05503	17.4
81.07050	23.8
83.04974	3.4
83.08603	5.3
91.05480	22.5
93.07059	19.7
95.04945	4.8
95.08598	14.9
97.06561	4.1
105.07025	27.8
107.08578	13.5
109.06506	3.2
109.10192	8.8
111.70307	3.4
117.07014	9.5
119.08588	14.1
121.10154	10.5
129.07008	8.5
131.08562	19.0
133.10109	9.4
135.08051	4.9
135.11702	4.0
143.08578	8.6
145.10158	13.3
147.11838	3.3
155.08554	6.3
157.10158	4.9
171.11739	6.3
181.10091	3.6
185.13286	4.2
331.13507	10.1
343.26324	4.7
353.24707	7.3
371.25909	10.7
389.26944	12.4
445.29459	100.0
463.30316	17.2
648.81732	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1754
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05491	0.5
57.03425	2.0
61.02906	1.9
65.90784	0.3
68.33106	0.4
69.28227	3.9
71.04984	11.7
71.46399	0.3
73.02886	0.4
75.04477	1.0
83.04964	0.8
85.02892	14.3
87.04442	0.5
91.03935	0.8
92.02596	0.5
93.03365	0.6
97.02871	1.2
98.21530	0.8
100.11252	0.7
111.29584	0.4
121.02836	0.6
127.03909	0.4
129.05473	3.2
139.03882	0.8
145.04872	0.4
147.06488	1.5
151.03847	0.9
153.01801	6.0
165.01802	0.5
177.05505	0.4
182.15300	0.7
203.03384	0.4
210.14861	1.0
217.04979	0.4
218.05745	0.5
228.04108	0.5
228.15887	0.4
229.04918	2.4
231.02785	0.4
245.04442	0.8
246.05194	1.2
257.04376	1.7
273.03806	1.4
274.04703	3.6
284.03415	0.4
285.03897	3.7
302.04166	11.6
317.06509	100.0
318.06970	2.2
416.94293	0.4
608.40198	0.5
625.42438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Sexangularetin 3-neohesperidoside
Peak:m/z	Relative Intensity
54.49408	0.3
56.96545	0.5
57.03427	2.0
61.02901	0.9
69.03416	2.2
69.33865	1.4
69.34293	2.3
69.46502	0.3
70.06554	0.9
71.01321	0.6
71.04980	8.3
72.08128	0.8
73.02861	1.1
73.50756	0.3
75.04468	0.6
79.05482	0.4
81.03386	1.1
81.07008	1.0
83.04944	0.7
85.02892	13.9
86.09663	0.5
87.04433	0.5
87.05551	0.7
91.05445	0.8
95.08570	0.5
97.02834	1.5
99.04440	0.4
103.03953	0.4
105.06955	0.5
109.02865	0.8
111.04433	0.4
115.34212	0.3
119.04957	0.5
120.08078	0.4
127.03841	0.9
129.05428	1.3
137.02322	1.6
137.05922	1.1
145.04900	0.5
147.04366	0.6
153.01784	1.8
159.11569	0.4
167.06981	1.0
169.98068	0.4
177.05446	0.8
181.04951	0.3
205.04691	1.1
207.06479	0.6
212.14067	0.4
228.04099	2.5
229.04999	0.7
245.04501	0.8
256.03751	0.5
257.04395	1.2
269.17422	0.4
273.03857	1.1
274.04706	3.9
279.79980	0.4
285.03934	1.1
301.03384	9.0
302.04166	62.8
303.04504	1.3
313.03406	0.5
315.04715	1.9
316.05746	0.7
317.06509	100.0
318.06879	2.1
329.06439	0.7
341.13443	0.8
359.07547	2.5
409.09030	0.5
427.10251	1.0
445.11191	0.8
479.11783	76.5
480.12195	1.5
513.12213	0.4
589.15491	0.7
607.16266	0.7
625.21069	0.8
625.23169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1753
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
55.01859	0.8
57.03389	1.2
61.02883	1.6
69.03423	5.0
70.84892	1.5
73.02886	0.5
80.00587	0.5
81.03400	2.5
85.02894	10.3
87.04427	0.6
90.04848	0.4
96.89410	0.5
97.02861	4.4
99.04403	0.7
109.02811	2.1
127.03835	1.3
133.65710	0.6
135.04346	0.6
137.32677	0.5
145.04803	1.0
149.02274	0.6
149.05910	1.4
151.03862	3.5
153.01767	0.6
163.03793	0.6
165.01787	5.3
167.03325	2.7
175.03860	1.7
177.05397	0.6
183.02892	3.5
187.03807	0.6
191.03304	0.8
193.04956	0.5
195.02921	2.6
207.02811	0.6
210.82677	0.6
214.68846	0.5
229.04916	0.6
237.02728	0.8
241.21452	0.6
243.06526	1.1
253.04919	0.8
254.05687	0.6
257.04422	0.6
261.03848	0.8
268.07138	1.0
269.08310	0.8
270.05212	1.9
271.05911	2.3
282.05240	5.3
284.06714	0.8
286.04669	1.2
292.07382	0.6
296.06750	6.3
297.07462	4.6
298.04663	13.0
299.05408	2.1
300.06223	7.3
301.07025	7.5
303.05109	0.8
308.06717	0.6
309.07486	0.9
310.04630	5.9
310.08331	3.1
311.09064	5.3
312.06241	1.0
313.07001	82.1
314.07639	6.9
320.06918	1.2
324.06210	11.2
325.07065	7.7
325.10724	1.4
327.04965	0.8
327.08536	1.7
328.05707	19.9
335.09030	0.9
336.06195	1.8
337.07022	2.1
338.07764	6.1
339.04971	1.5
339.08597	15.9
343.08072	100.0
344.08319	1.9
348.06226	2.5
350.07782	0.6
351.08536	0.8
352.05695	1.6
353.10168	14.4
355.07996	0.9
363.08493	1.8
364.05612	2.0
366.07269	1.0
367.08063	44.3
368.08295	0.7
376.05661	1.5
379.08099	11.3
380.08279	0.6
381.09756	2.4
391.07956	8.5
394.06793	1.5
397.09122	28.3
409.09106	18.8
427.10181	23.0
428.10672	0.9
445.11267	35.8
446.11655	0.9
463.12289	31.2
464.12863	1.2
487.83398	0.5
625.16742	0.7
633.12231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95169	0.6
53.03928	1.5
54.43224	0.7
56.96566	0.6
57.03428	0.7
57.99718	0.7
60.35104	0.6
67.05488	1.5
69.03409	1.3
69.07063	0.9
69.34970	7.0
70.06604	0.7
77.27665	0.6
79.05510	0.9
81.03405	7.5
83.04916	0.7
85.02885	2.6
91.05456	1.5
92.29961	0.7
93.07015	1.4
95.04948	2.5
95.08579	1.0
97.02880	2.6
98.20751	1.0
103.05456	39.1
105.07005	1.6
107.08620	1.0
109.02877	2.8
109.10138	1.0
127.03907	1.5
131.04915	100.0
131.83282	0.7
147.52281	0.6
149.05960	2.9
153.01820	3.5
167.39647	0.7
177.05309	0.7
211.61012	0.7
219.02901	1.4
244.03629	2.1
245.04373	1.0
261.04028	0.9
272.03238	0.9
273.03979	0.8
275.09103	6.3
289.03439	1.4
290.04242	1.9
293.09998	0.8
301.03406	2.5
317.02850	3.9
318.03671	26.4
333.06009	80.3
625.34180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1546
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
53.03933	0.5
53.14992	0.1
56.96568	0.1
57.03419	0.2
59.15994	0.1
65.03926	1.0
67.05492	0.1
69.03425	0.9
69.44360	1.0
71.04985	0.2
81.03409	3.2
81.07053	0.1
85.02898	1.2
85.48556	0.1
91.05471	10.4
92.45356	0.1
97.02884	0.3
99.04438	0.3
109.02868	1.2
110.03631	0.2
119.04930	25.4
127.03904	0.3
137.02321	0.5
147.04395	100.0
148.04701	0.4
150.03149	0.1
153.01820	0.8
165.05469	1.9
167.07022	0.1
200.04706	0.3
226.98662	0.2
227.03241	0.1
228.04121	1.0
229.04927	0.4
245.04431	0.5
249.07733	0.2
256.03769	0.3
257.04382	0.4
273.03986	0.3
274.04721	1.5
285.03839	0.4
291.08597	5.1
301.03406	3.6
301.06348	0.1
302.04181	16.0
303.04587	0.2
309.09689	1.2
317.06531	38.3
318.06891	0.5
378.13098	0.1
412.97751	0.1
479.11710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64162	0.2
53.03933	0.5
56.96548	0.6
59.06099	0.2
65.03922	1.4
69.03414	1.5
69.07052	0.2
70.06577	0.2
71.04966	0.4
71.58716	0.2
71.59120	0.3
79.05481	0.3
81.03408	3.6
81.07056	0.2
85.02895	1.6
86.09636	0.2
91.05466	11.8
93.06999	0.5
95.04944	0.5
95.08608	0.7
97.02859	0.5
99.04389	0.2
105.06979	0.4
107.08593	0.3
109.02885	1.5
109.06558	0.2
109.53754	0.2
112.87077	0.2
116.98585	0.5
119.04923	25.9
120.05227	0.2
124.09149	0.2
127.03909	0.5
137.02274	1.2
137.05969	0.3
141.36157	0.2
147.04384	100.0
148.04759	0.5
153.01781	0.7
157.91768	0.2
165.05441	1.7
177.05481	0.6
181.04869	0.3
207.06523	0.3
213.05472	0.4
228.04208	1.2
229.04944	0.3
230.05069	0.3
236.35994	0.2
237.02869	0.4
245.04510	0.3
256.03564	0.4
257.04401	0.9
269.17404	0.4
273.03812	0.4
274.04660	1.6
279.03882	0.3
285.04089	0.4
287.11490	0.6
291.08563	5.1
291.11594	0.3
301.03357	3.7
302.04163	17.1
309.09543	1.4
317.06506	38.0
318.06760	0.4
333.00757	0.2
343.04474	0.6
405.06259	0.3
413.14725	0.6
421.09207	1.8
479.11603	0.3
565.31592	0.4
625.15143	3.6
625.24438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1543
Annotation	CHEMBL233903
Peak:m/z	Relative Intensity
57.03424	0.7
69.03416	1.7
70.50093	2.2
71.04975	0.8
81.03411	2.8
81.07030	1.2
84.08118	0.6
85.02915	1.9
91.05467	7.0
94.30202	0.6
95.04958	1.4
95.08632	0.7
97.02876	1.3
99.04470	1.1
107.04944	1.3
107.08578	0.9
109.02838	1.6
109.10141	1.2
119.04928	12.9
121.02862	1.3
123.04417	2.3
137.02322	13.3
147.04393	49.5
147.50952	0.6
148.04745	0.6
150.03224	0.9
153.01811	1.6
165.05472	1.3
167.07066	0.7
177.05530	1.0
181.04980	1.3
191.07028	0.6
196.99083	0.6
197.00797	1.6
203.62895	0.6
205.01389	0.6
207.06516	0.6
213.05446	5.2
228.04135	1.3
229.04959	0.9
237.05450	0.7
241.04823	3.9
244.03632	0.7
245.04448	1.2
253.04994	0.7
255.02846	0.7
256.03629	0.6
257.04440	6.6
259.02374	0.6
269.04413	0.7
270.05145	0.7
273.03781	0.6
274.04742	2.2
281.04462	1.2
287.01926	1.5
287.05688	0.7
291.08627	1.4
301.03537	4.4
302.04163	21.4
303.04724	0.9
315.04874	0.6
317.06522	31.8
326.04285	0.8
328.02234	0.8
333.07629	0.7
343.04486	14.6
346.03189	0.8
349.07199	1.5
354.03659	1.7
361.05365	2.9
369.06152	2.5
378.07346	2.7
389.06604	2.6
398.13223	0.7
405.06039	7.8
406.06870	2.7
407.07590	1.6
409.20374	0.8
416.14850	1.7
419.07965	0.7
421.09143	45.6
463.10144	3.1
531.10529	0.7
539.68689	0.6
625.15448	100.0
626.15796	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	625.1553
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
51.02357	0.2
53.03940	0.2
56.96553	0.5
57.07063	0.2
64.71535	0.2
65.03939	1.0
67.05501	0.5
69.03433	1.0
69.07067	0.2
69.70297	1.3
70.06572	0.4
71.04987	0.4
76.02180	0.2
77.64057	0.2
81.03416	3.5
81.07039	0.7
84.08129	0.2
85.02898	1.3
86.09723	0.3
91.05478	9.9
93.07018	0.3
94.62879	0.2
95.08610	0.2
96.46116	0.2
97.02878	0.5
98.97566	0.4
99.04444	0.2
101.07120	0.3
103.01347	0.2
105.07062	0.3
107.08562	0.3
109.02846	1.1
109.10175	0.2
116.98618	0.3
119.04938	23.3
121.02869	0.2
127.03889	0.7
134.99667	0.2
136.07607	0.2
137.02364	1.0
137.05969	0.3
145.10152	0.2
147.04402	100.0
148.04742	0.3
153.01813	0.8
165.05467	1.8
177.05455	0.5
181.04961	0.5
191.07051	0.3
192.36180	0.2
193.01331	0.2
203.84691	0.2
207.06505	0.3
212.80670	0.2
213.05595	0.4
228.04169	1.1
229.05099	0.5
237.02838	0.5
241.27827	0.2
243.15936	0.2
245.04489	0.5
257.04459	0.7
264.39185	0.2
269.17413	0.3
273.03983	0.4
274.04630	1.5
285.03763	0.3
291.08627	4.4
291.11624	0.4
301.03403	4.0
302.04193	17.3
309.09668	1.6
317.06549	37.4
318.07053	0.2
343.04480	0.6
405.05899	0.4
413.14865	0.4
421.09052	1.6
431.16116	0.2
463.52991	0.2
479.11530	0.5
564.31122	0.4
583.27545	0.3
625.15314	4.5
625.31366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1548
Annotation	CHEMBL233903
Peak:m/z	Relative Intensity
50.23838	0.5
53.03940	1.5
56.96568	1.0
65.01792	0.6
67.05499	0.9
69.03406	1.6
70.76289	1.8
81.03414	3.0
81.07042	1.8
85.02914	1.3
87.04525	0.6
91.05478	5.4
93.07039	0.8
95.04964	1.4
95.08632	0.7
97.02876	2.6
102.06264	0.7
105.07035	1.0
107.04987	1.4
109.02876	1.2
109.10117	0.7
119.04939	12.6
119.08569	1.3
121.02884	0.9
121.10166	0.8
123.04440	2.1
127.03912	1.4
133.10101	0.7
137.02335	11.6
137.03387	1.0
147.04404	46.5
153.01851	1.8
165.05453	0.9
177.05438	1.1
181.01317	0.8
181.04904	1.0
197.00853	2.0
205.01225	0.7
207.06535	1.5
213.05501	5.1
225.07997	0.7
228.04277	1.0
229.05040	1.2
239.03275	0.7
241.04994	3.9
244.03654	1.0
255.02789	0.7
257.04434	5.6
259.02563	0.8
269.04355	0.7
274.04770	1.7
281.04468	1.2
301.03378	4.3
302.04181	20.4
302.07452	1.1
303.04852	0.7
317.06543	31.9
326.04312	0.8
333.07617	0.9
343.04514	13.2
349.06946	1.2
354.03821	1.5
361.05670	2.7
369.05975	3.1
377.06372	0.8
378.07309	3.8
389.06439	2.9
391.19290	0.7
405.06085	8.4
406.06567	2.8
407.07523	1.4
409.20483	2.4
416.14401	0.9
421.09155	45.0
422.09637	1.2
463.10489	3.3
490.55029	0.6
531.11694	0.8
589.26752	2.2
608.11749	0.6
625.15472	100.0
626.15991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.43
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34451	1.7
53.03942	6.4
55.01859	8.0
55.05509	21.2
57.03438	14.0
57.07056	2.5
65.03941	4.8
67.05501	69.9
69.03433	1.8
69.07062	22.7
69.78041	1.9
71.04988	3.2
71.59603	2.1
74.36803	1.6
79.05049	3.6
79.05486	42.4
79.05947	2.4
81.03415	24.3
81.07051	55.1
83.04978	6.3
83.08620	11.5
84.30681	1.7
84.69782	1.8
85.06528	7.7
91.05475	62.0
93.07040	43.9
95.01298	2.9
95.04960	58.1
95.05553	3.6
95.08601	30.3
97.06510	9.1
97.10155	5.9
99.08100	2.1
100.27764	1.6
103.05495	2.4
105.07021	45.3
107.04933	15.5
107.08582	22.7
109.06514	39.9
109.10167	12.2
111.08121	4.0
113.06010	24.4
115.05493	4.6
116.69137	2.1
117.07001	22.4
119.04954	2.6
119.08575	31.9
121.06486	6.9
121.10135	12.6
123.08080	7.3
125.09643	2.9
128.06206	4.4
129.06995	15.2
130.07733	3.3
131.04875	3.1
131.08556	36.3
133.06502	7.5
133.10146	22.0
135.08034	19.7
135.11642	8.6
137.09651	2.8
139.11235	2.3
141.07010	5.5
142.07756	2.6
143.08557	18.3
145.06483	7.5
145.10120	24.0
147.08041	5.7
147.11679	11.8
149.09650	6.3
149.13271	6.0
150.86961	2.0
155.08580	6.6
157.10115	11.3
159.08032	4.8
159.11673	16.9
160.05150	3.2
161.05998	5.9
161.09627	7.1
161.13277	7.5
163.11237	5.5
166.07751	2.1
167.08522	2.5
168.09373	2.2
169.10126	11.4
171.11676	12.6
173.05942	3.2
173.09770	2.8
173.13274	9.5
175.11179	4.4
175.14816	3.2
177.12782	5.0
179.08574	2.5
181.10114	5.8
183.11674	6.0
185.09595	1.8
185.13290	7.2
187.11185	3.0
187.14842	5.6
195.11719	7.0
195.13522	1.9
197.13240	4.9
199.11195	3.2
199.14771	4.2
201.16399	2.2
205.12166	2.7
207.11736	3.3
209.13245	3.5
211.11206	2.4
211.14958	2.3
213.12825	3.5
213.16429	2.7
215.18094	2.7
217.15900	8.3
221.13309	2.4
223.14896	3.4
225.13634	2.1
225.16217	2.5
227.17946	2.5
237.16516	2.8
241.19583	3.6
243.13895	2.4
255.17325	3.1
257.18924	3.4
259.20715	7.1
271.13321	5.2
273.18488	20.6
275.20059	3.8
279.15720	9.3
289.14215	3.0
291.19482	30.3
315.23315	3.3
327.26785	4.3
333.24326	6.0
335.26163	3.1
337.64801	2.0
339.22946	2.4
347.22296	8.1
365.24228	2.6
475.36249	2.3
477.22534	2.4
513.36670	3.1
531.38440	7.4
549.39734	5.8
563.26288	3.4
605.41833	13.8
623.29016	18.3
623.43018	100.0
624.28931	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	623.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84268	1.5
53.03932	3.1
54.55003	1.4
55.01856	5.0
55.05504	19.0
57.03431	7.7
61.02917	23.9
65.03933	2.3
65.90188	1.6
67.05493	38.7
69.03417	8.6
69.07060	15.6
70.72763	3.7
71.04964	3.8
73.02908	8.5
79.05482	30.8
81.03391	6.9
81.07048	37.1
83.04971	3.4
83.08608	14.1
85.02901	19.8
85.06538	2.0
91.03947	14.6
91.05468	43.5
92.41325	1.5
93.07034	33.6
95.04961	9.2
95.08588	22.8
97.02881	15.2
97.06532	7.8
97.10150	2.7
99.04471	1.8
99.08096	2.1
99.55387	1.5
101.02354	2.0
103.05428	3.3
105.07016	35.0
107.04944	7.1
107.08575	15.9
108.08158	1.6
109.06493	6.1
109.10136	9.2
110.05344	1.9
111.08083	4.2
115.05446	2.3
116.06201	1.8
117.07003	28.3
119.08567	19.1
121.06488	5.0
121.10108	8.1
123.08060	4.0
123.11691	1.9
125.09606	2.2
127.03920	4.3
128.06198	6.5
129.06987	39.0
131.08540	38.7
133.06482	5.7
133.10141	10.5
135.08018	4.8
135.11668	4.4
137.09572	2.1
139.11166	2.8
141.06963	15.2
142.07729	4.7
143.08534	26.9
145.06480	6.8
145.10097	18.7
147.08026	6.7
147.11694	8.5
149.09618	6.0
149.13159	1.9
151.11107	1.8
153.06929	2.9
154.07765	2.7
155.08546	23.6
156.09323	2.1
157.06490	4.2
157.10083	17.0
159.08028	6.2
159.11661	10.7
161.09621	3.7
165.06979	3.5
167.08533	12.2
169.10094	14.7
171.08006	2.6
171.11642	9.9
173.09619	2.6
173.13211	3.0
175.11183	1.8
177.12662	2.4
178.23199	1.4
179.08534	6.2
181.10106	13.0
183.08026	2.1
183.11688	11.7
185.13136	8.0
187.11151	3.3
187.14790	3.3
189.12758	2.9
193.10112	6.5
193.12195	1.7
195.11671	12.4
197.09605	2.1
197.13213	7.2
199.11198	3.9
199.14818	4.4
206.11000	1.9
207.11658	5.5
209.13223	6.6
211.11273	2.4
211.14824	4.8
213.12817	3.6
215.14328	9.6
221.13231	8.2
223.14836	8.7
225.12657	2.3
225.16595	1.9
227.14339	1.7
229.16000	2.6
231.17412	2.5
233.13235	2.8
235.14740	6.6
237.16368	2.1
239.14276	8.7
241.15958	2.0
249.16397	2.1
253.15791	5.7
257.15317	3.3
259.16989	2.4
267.17307	2.3
269.15155	2.1
271.16830	5.1
275.16254	1.9
284.02835	1.5
285.18637	2.8
305.86026	1.6
315.21030	2.1
323.23630	7.1
333.22089	16.6
341.24567	10.6
351.23148	49.0
369.19925	3.2
369.24188	34.5
387.25174	17.8
407.26050	1.9
415.28473	3.1
425.26865	8.5
443.27872	100.0
444.27710	2.6
461.28979	62.6
623.33282	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05500	2.8
63.88046	0.4
67.05493	4.5
69.07067	2.4
70.30996	1.7
70.31402	0.7
78.52336	0.4
79.05484	3.0
81.03418	1.3
81.07032	3.5
83.08600	1.5
91.05481	3.1
93.07012	2.4
95.04947	0.5
95.08595	2.6
96.31299	0.5
97.10165	1.3
98.21415	0.6
105.07028	2.3
107.04992	0.4
107.08577	2.0
109.10154	0.8
117.07026	1.3
119.08551	2.0
121.10071	0.6
123.08076	0.8
125.09612	1.4
129.06998	1.3
131.08586	1.5
133.10141	1.3
135.11615	0.7
141.06992	0.5
143.08559	1.5
145.10133	2.0
147.08051	0.5
149.09650	0.5
155.08600	0.8
157.10156	1.1
159.11658	1.0
167.08655	0.6
169.10103	0.7
171.11697	1.3
173.13335	0.8
180.84119	0.4
181.10048	0.7
183.11642	1.0
185.13190	0.5
187.14815	0.5
189.11197	0.5
195.11725	0.7
197.13405	1.0
201.16389	0.4
207.11742	0.5
209.13246	0.7
221.06499	0.4
221.13231	0.4
223.12872	0.5
275.20023	0.9
291.19586	0.7
302.80872	0.5
322.76242	0.4
344.90601	0.5
375.16400	0.5
377.28275	0.5
389.17862	0.9
390.18539	0.5
391.19287	1.0
401.17657	1.0
402.18835	0.7
403.19162	1.8
404.19867	1.4
405.20743	1.3
415.19461	0.9
416.20126	1.3
417.16049	2.5
417.21014	1.8
418.17401	0.9
419.22437	5.3
429.16492	0.8
431.18539	3.0
431.22705	2.5
432.19464	1.4
433.20148	3.1
435.21753	0.8
443.18668	3.3
444.19315	1.6
445.20111	7.5
446.20920	5.5
447.22351	4.3
449.23367	1.2
457.20145	1.3
458.20883	0.7
459.21945	3.1
460.22549	0.7
461.19540	1.0
462.20224	1.0
463.21304	2.4
465.22696	0.6
473.23239	0.9
475.21637	1.3
476.21967	6.2
477.22855	6.8
489.22760	2.4
491.20792	1.0
492.24615	0.5
503.24304	0.8
505.25977	1.4
519.55072	0.6
521.21613	0.8
525.35895	1.2
531.37866	0.9
533.25494	14.2
545.25732	0.8
563.26495	15.5
564.26715	0.8
591.25879	0.8
593.27380	4.2
594.24988	0.7
605.27802	1.3
605.41583	1.2
623.28589	100.0
623.43420	5.8
624.28925	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44545	0.6
64.58652	0.6
67.05482	1.7
69.07073	0.7
71.59063	1.1
79.05493	1.5
81.07036	1.8
91.05489	1.1
93.07039	1.6
95.04983	0.8
95.08627	0.8
105.06979	0.9
131.08589	1.0
143.08553	0.8
147.11661	0.9
168.39536	0.9
261.18713	0.8
291.19873	0.8
305.36844	0.7
318.54648	0.7
341.26224	0.8
375.15781	0.9
389.17670	2.9
390.18396	1.4
391.19327	2.4
402.18594	0.8
403.19284	2.7
404.19733	1.0
405.20697	7.4
406.21463	1.1
416.19980	1.4
417.16379	5.3
417.21759	1.5
418.17728	3.1
419.18713	2.7
420.19711	0.9
431.18130	5.8
432.18994	5.9
433.20129	8.0
445.20483	3.4
449.23523	1.6
459.22021	2.1
461.19797	2.0
463.21176	1.8
475.21100	1.6
476.21994	3.2
477.23346	4.5
489.22971	1.6
491.24759	1.1
519.23804	19.7
520.24597	1.4
521.21667	1.0
563.26471	11.6
564.27100	1.2
579.26007	4.2
596.00061	0.8
623.28625	100.0
623.38898	5.1
624.28644	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35746	0.8
66.00500	0.6
67.05499	1.0
69.52058	2.5
69.52479	2.3
78.91307	0.6
81.07043	0.6
95.08629	0.6
128.17976	0.6
171.61075	0.6
377.17505	0.7
389.17776	1.1
391.19125	0.9
401.17874	0.9
403.19467	1.5
404.19949	0.8
405.20825	2.5
407.22244	0.9
415.19366	1.4
417.16507	0.8
417.21176	1.3
418.17633	1.2
419.22336	2.9
420.23056	1.0
429.16724	1.3
430.17969	1.9
431.18216	3.4
432.19110	1.2
433.20038	5.2
434.20874	1.2
444.19620	1.9
445.19955	4.7
446.21066	2.6
447.21863	5.6
448.12305	0.7
448.22592	1.9
458.20908	6.1
459.21640	4.2
460.22513	4.8
463.21371	1.9
473.23572	0.9
474.24536	0.7
475.20966	0.8
476.22083	1.2
477.22827	2.7
505.22537	0.8
517.22217	0.9
518.22845	4.1
519.23962	0.9
532.24634	1.4
533.25372	7.1
535.26941	1.3
545.25635	1.9
563.26563	6.2
605.27637	9.5
623.28595	100.0
624.28625	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	623.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35838	1.2
69.66304	5.3
69.66718	2.1
83.14880	1.1
137.15952	1.2
150.84402	1.1
159.75090	1.3
390.18411	2.4
404.16434	1.7
405.20840	4.4
419.18109	2.5
429.20865	2.9
430.21039	1.4
433.20187	4.7
443.22275	2.0
444.23331	1.7
446.17200	1.7
447.17551	9.1
448.22531	2.4
449.23578	1.8
452.21979	1.7
459.21799	2.8
460.22919	1.6
461.19339	11.3
475.21414	1.6
476.22018	26.5
477.22690	4.7
479.20993	1.9
485.23541	2.6
486.24292	1.8
487.24985	2.0
519.23981	1.9
531.23804	2.2
545.25586	12.9
563.26563	9.1
605.27661	2.7
623.28540	100.0
623.36981	6.0
624.28497	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	623.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77536	1.7
69.30239	3.8
69.30640	14.9
102.61955	1.6
113.00655	1.6
159.17271	1.6
159.92157	1.6
391.19516	2.2
405.20245	4.5
418.17328	2.1
429.21292	2.4
433.20313	2.3
443.21790	2.0
447.18149	7.1
459.21951	3.4
461.19733	7.4
473.23697	2.7
476.22037	22.1
479.21332	2.2
545.25464	11.7
563.26837	8.6
591.24243	2.4
605.28143	3.1
623.28540	100.0
623.37036	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71840	0.4
85.26550	0.4
94.57569	0.4
98.21533	0.8
120.08096	0.4
145.71841	0.4
209.10645	0.6
223.12335	0.7
229.77182	0.5
237.13857	0.5
238.14639	0.4
246.11894	0.4
251.15361	0.5
257.10767	0.5
374.16183	0.7
375.16507	0.7
376.17331	0.7
377.17554	1.7
378.18591	0.9
386.15891	0.8
388.17886	0.8
389.18393	1.6
390.18808	1.6
391.19055	4.6
392.19873	3.3
393.20728	1.8
399.16260	1.2
400.16812	1.4
401.17529	2.4
402.19128	1.1
403.19620	1.3
404.15839	0.5
404.20566	1.6
405.16599	0.5
405.20886	5.4
406.21564	4.6
407.16824	0.8
407.22266	15.0
413.17487	2.4
414.18420	4.3
415.19186	5.2
416.20233	1.2
417.20975	1.6
418.21881	0.6
419.23032	2.1
420.23038	2.3
421.18423	0.9
421.23782	11.7
422.24585	3.0
426.19510	0.5
427.19431	2.3
428.19962	3.8
429.20810	13.8
430.21835	3.1
431.18344	1.4
431.22906	1.1
432.19196	0.6
433.19727	1.2
433.24048	1.8
434.25037	0.5
435.26144	0.8
441.16394	0.5
442.22064	2.2
443.22501	7.9
444.23444	4.6
445.19693	2.6
446.21100	0.7
447.18143	1.6
448.26358	0.7
449.23032	1.2
452.22034	0.8
455.18668	1.2
456.19391	1.4
457.19113	1.0
457.23813	3.9
458.24948	7.3
459.21732	9.1
460.23032	3.2
461.18982	6.4
462.20422	2.1
463.20935	2.0
470.20859	1.8
471.16873	0.5
471.21808	1.8
472.22696	8.0
473.13754	0.6
473.18643	0.7
473.23483	2.2
474.20166	0.7
475.21030	6.4
476.21692	6.6
477.22610	4.7
478.23584	0.6
483.18179	0.8
484.18991	1.2
485.23462	17.6
486.20313	1.8
486.24066	3.8
487.21021	1.7
488.21979	1.5
489.22528	4.1
490.23666	1.1
493.25717	1.1
497.22574	0.5
498.20792	0.6
499.21368	5.0
500.22128	2.5
502.23557	1.3
503.24472	9.6
504.21707	1.6
507.23312	1.1
508.28510	0.9
513.22815	5.1
514.23663	1.8
515.24347	0.8
516.21930	0.7
517.26318	8.7
521.25128	1.2
529.25793	2.6
530.23199	0.6
531.23944	1.8
535.27014	6.2
536.27734	0.5
545.25427	97.3
546.25763	4.0
549.25195	0.5
558.23145	0.5
559.22974	0.5
562.25769	0.7
563.26361	1.0
564.27271	1.8
573.24860	21.1
574.25165	0.7
591.25610	2.0
605.27509	100.0
606.28125	3.6
623.28558	97.9
624.29163	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	623.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01857	2.6
55.05505	15.5
57.03422	2.1
57.07062	1.5
59.04997	1.2
59.36663	0.8
65.03934	1.4
67.05164	1.5
67.05495	21.7
69.03405	1.9
69.07058	7.4
71.04972	1.7
76.39710	0.9
79.05492	14.0
81.03411	8.1
81.07051	19.3
83.04971	2.7
83.08620	6.6
91.05467	15.7
93.07025	12.4
95.04965	4.9
95.08601	11.6
97.06528	1.3
97.10165	7.4
105.07021	12.0
107.04926	2.5
107.08573	10.1
109.06507	2.2
109.10142	7.2
111.08048	1.3
115.05428	2.5
117.07001	6.7
119.08569	9.3
121.10132	3.4
123.11672	1.6
125.09624	5.7
128.06210	2.9
129.06993	7.3
131.05048	1.3
131.08559	9.0
133.06430	1.1
133.10104	5.8
135.08058	1.8
135.11716	2.1
141.05957	0.9
141.06973	4.2
142.07784	2.8
143.08517	7.2
144.09343	1.1
145.06474	1.2
145.10107	5.9
147.08078	1.3
147.11676	3.2
149.13222	1.2
150.87015	0.9
155.08548	5.9
156.09337	1.7
157.06519	1.2
157.10094	6.6
158.45871	0.9
159.11723	5.0
161.05980	2.0
161.13228	1.7
163.11147	1.3
165.07082	2.1
167.08580	4.1
169.10110	7.7
171.11710	4.5
173.05963	2.1
173.11865	1.0
173.13272	2.7
179.08623	2.1
181.10068	4.5
183.11710	5.3
185.13266	3.4
189.11238	3.7
193.10141	1.9
195.11745	3.3
197.13278	4.9
199.14847	2.2
199.35480	0.9
205.10126	1.0
205.12210	1.0
207.11725	2.4
209.13240	2.1
211.14810	2.9
213.16470	1.5
219.11647	1.6
221.13249	1.8
223.14938	2.3
225.16455	1.2
227.12717	5.6
233.13139	1.3
235.14781	2.0
237.16356	1.4
239.18008	2.0
241.19583	1.2
249.16423	1.3
251.17862	1.5
257.19147	1.2
259.20547	1.3
271.13220	1.8
275.20380	1.6
291.19641	3.5
314.13037	1.2
335.25552	1.0
335.66788	0.9
363.16364	1.3
374.16525	1.0
375.16733	1.3
376.16827	1.2
377.17636	2.8
377.28516	1.0
379.30096	2.5
387.16147	1.3
389.17670	1.5
390.18628	1.2
391.19086	3.3
392.19928	2.9
393.20691	2.6
400.17157	1.9
401.17667	4.0
404.16196	1.1
405.16428	1.7
405.21219	2.1
406.21838	1.0
407.22397	4.4
413.17636	3.0
414.18716	2.6
415.19498	6.0
417.21307	1.3
418.18521	1.1
419.18671	3.4
421.20355	2.2
427.19473	2.0
428.20065	2.6
429.16214	1.6
429.20950	3.1
430.21515	3.3
431.18762	1.5
433.20792	1.4
433.31393	1.3
435.21896	2.4
441.16821	1.6
443.17896	1.4
443.22708	3.2
444.19687	3.8
445.20319	1.7
446.21143	1.9
447.18182	3.6
447.22977	1.4
448.18878	1.4
449.19724	1.1
456.19107	2.0
457.21024	1.2
458.21060	3.0
459.17935	1.3
461.19699	3.2
462.20471	2.9
463.21219	3.3
465.23282	1.3
471.22467	9.1
472.18216	1.3
473.19553	2.8
474.20486	2.9
475.21915	2.4
476.18164	1.3
477.19125	1.3
484.18668	1.5
485.19867	4.1
486.20465	3.6
489.23724	7.4
490.20154	4.5
491.20844	3.0
493.22266	1.3
499.21277	16.0
500.18356	1.2
501.23279	6.1
503.20752	5.5
507.24332	1.4
511.21457	1.2
511.34296	1.1
513.19312	2.5
513.37262	1.7
514.19800	1.3
517.22443	12.8
518.23010	1.3
521.59839	1.2
525.35565	1.9
527.20868	3.5
529.22437	11.7
531.38190	3.1
532.71326	1.1
535.23853	4.4
545.21802	52.2
546.22455	1.9
549.39508	1.3
554.35779	1.3
555.20233	2.2
563.23096	2.8
564.23517	2.4
573.21283	16.1
605.23895	100.0
605.41931	9.9
606.24188	3.3
623.25000	81.6
623.42932	39.5
624.25305	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	622.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02063	0.5
54.70644	0.6
79.12732	0.5
84.82436	0.5
85.09278	0.5
85.99258	0.5
132.08165	0.7
207.09171	0.8
209.10693	1.2
221.10924	0.7
223.12291	0.8
225.10201	0.8
225.13788	0.8
235.12308	1.1
237.13898	1.1
245.10699	0.8
249.10287	0.9
249.13745	0.6
277.13263	0.7
298.13776	0.5
314.12897	0.9
375.16174	1.1
379.16302	0.5
388.17328	0.6
389.17609	1.5
390.18558	1.0
391.19196	1.5
400.16412	0.7
403.15466	1.9
403.19940	1.0
404.16284	0.9
405.20877	0.9
416.16031	0.7
417.16782	3.7
418.17651	1.2
419.18008	0.9
419.22864	1.1
430.18167	0.7
431.19128	3.0
432.19382	1.9
433.20328	2.8
443.18701	0.7
445.16702	2.7
446.17365	2.2
447.17834	4.4
447.22119	4.6
448.18488	1.6
448.23224	1.4
449.23972	1.1
459.18079	2.3
460.18210	2.9
461.19217	8.5
462.20313	5.7
467.20303	0.8
472.19080	0.7
473.19788	1.5
474.20279	1.9
475.21231	25.2
476.21899	12.3
477.22934	8.3
479.24493	0.7
487.21323	0.8
488.22183	1.4
489.22983	1.5
492.21353	0.7
503.20309	4.6
505.22186	1.7
507.23883	1.0
515.21234	0.7
519.23523	1.9
521.22748	0.9
533.21350	1.3
533.26093	1.3
534.26569	2.7
535.22931	12.0
536.23987	2.2
547.23444	4.1
548.24182	1.6
549.24615	2.1
550.25098	0.6
561.24469	1.3
562.25433	15.9
563.26440	14.5
566.28375	1.2
575.22772	1.2
579.25720	1.2
590.25104	7.4
593.23834	5.0
594.28430	4.8
607.25500	5.0
622.27710	100.0
623.28162	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	622.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50790	2.0
56.73490	1.8
69.26959	21.4
73.59196	1.6
76.19747	1.8
78.61497	1.7
79.45566	1.8
87.14613	1.9
91.66640	1.7
122.29582	1.8
201.43683	1.9
223.08495	2.0
237.13881	2.7
243.27649	2.0
389.01959	1.8
389.17685	3.3
416.16211	2.4
417.17172	5.5
418.17633	3.9
431.18976	4.3
432.19879	2.1
445.16248	3.8
446.17444	4.0
447.18182	10.1
447.23151	3.2
448.18726	2.8
459.18076	2.5
460.18698	2.9
461.19522	14.3
462.20667	6.2
473.20355	2.4
475.21423	22.6
476.22232	10.8
477.22879	10.3
489.22876	3.7
503.20706	4.4
535.22821	12.7
547.23499	4.3
562.25525	12.4
563.26294	16.7
579.25824	2.6
590.25372	5.6
593.25916	4.0
594.27869	3.9
607.25299	5.1
622.27747	100.0
623.28400	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05488	0.5
58.86283	0.4
67.05488	1.1
71.17121	0.9
91.05489	0.5
95.08557	0.5
99.31355	0.4
107.08573	0.5
126.32032	0.5
131.08499	0.6
143.06158	0.4
209.10771	0.5
291.06888	0.5
308.43896	0.5
314.12851	0.7
375.16034	0.6
387.16138	1.1
388.16843	1.2
389.17490	2.8
390.18686	1.0
391.19064	1.0
401.17603	1.2
402.18353	1.4
403.19354	4.4
404.20016	2.6
405.20535	3.0
416.16177	1.5
417.16956	3.0
417.20932	3.1
418.21988	1.0
419.22391	7.0
429.16571	0.7
430.17868	1.4
431.17932	6.6
432.19070	2.4
433.19971	2.5
443.18427	0.6
444.19510	0.9
445.20154	7.5
446.20917	6.3
447.21683	10.6
448.22513	0.8
458.21094	0.6
459.21735	3.0
461.19827	1.5
463.20920	0.5
473.19162	1.2
473.24500	0.8
474.20059	5.7
475.21268	7.9
487.21436	3.3
488.22266	0.7
489.23389	0.8
491.20700	1.1
497.41034	0.5
501.22742	2.0
504.21228	0.6
505.25623	1.0
518.23315	1.0
519.20697	1.3
533.25488	16.0
534.26367	0.7
546.22644	0.9
561.24939	24.3
562.25592	1.0
589.24451	1.1
593.27417	4.4
621.27014	100.0
622.27130	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	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.72765	1.3
83.68563	0.4
110.88525	0.4
154.77863	0.4
155.59877	0.4
209.10754	0.6
235.68770	0.4
269.15182	0.4
282.49051	0.4
310.13354	0.4
315.17319	0.4
360.14941	0.5
373.14523	0.6
374.15472	0.6
375.16046	1.3
387.16162	1.1
388.16702	1.8
389.17551	3.7
390.18353	1.3
391.19238	1.2
401.18011	1.1
402.13858	0.6
402.18353	1.7
403.19446	5.7
404.20160	2.7
405.20804	3.5
413.17438	0.5
415.19229	1.1
416.16064	1.4
416.20441	1.2
417.16080	5.2
417.21066	3.0
418.17410	1.1
418.22202	0.8
419.22284	9.9
420.23050	0.9
429.16525	0.6
430.17557	1.2
430.22284	0.7
431.18127	8.4
431.23560	0.7
432.19016	3.8
433.19913	2.8
443.18735	0.7
444.19446	1.1
445.20123	7.1
446.20975	8.5
447.21774	10.8
448.22269	0.6
457.20593	0.8
458.21161	0.7
459.17679	1.9
459.22098	2.3
460.18262	0.7
460.22943	1.0
461.19589	2.1
463.21432	0.7
473.05341	0.4
473.19473	1.7
473.24142	1.0
474.20355	8.3
475.21167	9.3
476.22070	0.6
477.22873	0.4
487.21130	3.9
488.22009	1.3
491.20905	1.3
492.25491	0.4
501.22928	2.1
505.25818	1.4
518.22791	0.8
519.20630	1.1
520.24597	0.5
529.22449	0.6
533.25433	16.4
534.25208	0.5
546.22461	0.8
561.24908	23.4
562.25305	1.2
565.28027	0.6
589.24524	0.9
593.27411	4.0
621.27002	100.0
622.27185	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	621.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81638	0.4
60.52005	0.5
62.64258	0.5
66.69157	0.5
69.47693	1.8
69.48121	2.3
81.27985	0.5
98.21506	0.6
123.74653	0.5
127.69041	0.5
128.64450	0.5
195.09126	0.6
197.10608	0.5
209.10457	0.5
221.10716	0.6
233.10356	0.6
261.10242	0.5
286.13257	0.7
324.14841	0.7
372.14661	0.5
373.14484	1.1
374.15320	0.9
375.15991	1.4
387.16138	1.3
388.16882	2.5
389.17630	5.4
390.18439	2.5
391.18997	0.7
401.17645	2.1
402.13837	1.2
402.19064	2.2
403.19427	9.1
404.19836	3.0
405.20740	2.5
413.17404	0.6
415.14734	1.0
415.19122	1.5
416.15323	2.4
416.20737	0.8
417.16837	5.4
417.20813	5.7
418.21918	2.4
419.22299	11.6
420.23093	0.7
427.19366	0.8
429.17020	1.5
429.21582	0.7
430.17169	2.4
431.18063	9.6
431.23450	0.7
432.19049	4.2
433.20032	2.3
443.18683	1.3
444.19443	1.6
445.20065	10.5
446.20892	6.0
447.21689	11.5
448.22421	0.8
457.21109	0.5
458.21173	0.9
459.17453	1.8
459.21973	2.7
460.18307	1.1
461.19525	1.4
473.19067	1.5
473.24051	0.8
474.20370	12.0
475.21173	15.5
476.21884	0.6
486.20789	0.7
487.21445	4.3
488.21844	1.1
489.22809	0.7
491.20547	0.7
501.22601	3.1
502.23401	0.8
505.25906	1.9
518.23096	1.2
529.21936	0.7
533.25494	9.7
534.25702	0.8
546.22559	1.1
561.24896	86.1
562.25360	4.8
589.24329	2.7
593.27588	3.6
621.26996	100.0
622.27246	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	619.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.5
51.02373	0.8
51.63751	0.1
53.00310	0.2
53.03937	0.2
55.01850	0.1
58.80785	0.2
69.03402	0.5
70.06574	0.5
71.59766	0.2
76.85846	0.1
79.01846	5.8
81.03407	1.6
84.08138	0.2
86.06044	0.2
86.09679	0.2
97.02892	1.4
99.04440	0.2
107.01301	1.5
109.02865	2.0
112.11222	0.3
123.00794	0.3
125.02335	4.1
125.05939	0.1
127.03902	1.9
129.13850	0.3
143.03378	9.0
153.01810	100.0
153.02794	4.0
154.02164	1.5
155.02293	0.4
163.03889	0.2
171.02853	0.2
181.01485	0.2
190.42767	0.2
191.03354	0.4
199.02216	0.1
213.03938	0.3
233.04472	0.4
237.03935	0.7
259.02313	0.2
261.03952	0.4
271.17493	0.2
277.03479	0.3
278.03683	0.4
279.05048	0.8
297.06042	0.5
304.05408	0.2
305.02542	0.3
445.10699	0.2
449.07123	1.6
478.24860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02361	0.7
53.00296	0.1
53.03923	0.2
55.01867	0.2
57.72699	0.1
66.67821	0.1
69.03413	0.2
69.45187	0.8
69.45609	0.3
69.99598	0.1
77.60566	0.1
79.01848	5.0
81.03417	1.6
82.41152	0.1
87.00834	0.2
90.24171	0.1
91.98841	0.1
97.02886	1.2
107.01306	1.1
109.02860	0.7
110.00364	0.1
123.00789	0.1
125.02341	4.1
126.99252	0.1
127.03909	5.8
136.48074	0.1
143.03389	8.4
150.72408	0.1
153.01819	100.0
153.02792	4.1
154.02121	1.2
163.03909	0.1
180.99422	0.1
191.03410	0.5
213.03908	1.8
233.04480	0.2
237.03876	0.8
238.54164	0.2
252.75865	0.2
261.03955	0.5
277.03305	0.1
278.66388	0.1
279.04996	1.6
297.06076	0.2
304.01450	0.1
438.51834	0.1
449.07080	0.9
573.66101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02373	0.6
53.03944	0.2
55.01872	0.3
58.06589	0.2
59.13408	0.1
61.38953	0.1
65.27228	0.1
69.03420	0.3
71.22931	0.3
72.08147	0.1
79.01844	5.7
80.02148	0.1
81.03416	1.4
81.55269	0.1
84.08137	0.7
89.03903	0.3
91.05465	0.5
97.02887	1.2
100.71325	0.1
107.01296	1.2
109.02866	1.5
112.11226	1.4
113.11591	0.2
117.03358	0.4
119.04919	0.5
123.00769	0.2
125.02332	3.7
127.03903	2.3
129.13864	1.2
143.03381	8.5
145.02835	1.6
146.03165	0.3
147.04427	0.5
149.05954	0.3
153.01813	100.0
153.02779	3.8
154.02127	0.7
175.03920	1.0
176.04283	0.2
177.05447	2.7
178.05772	0.5
179.40692	0.1
181.01265	0.2
187.04079	0.1
191.03462	0.3
205.04947	0.3
207.06476	1.7
208.06853	0.4
213.03999	0.6
233.04424	0.6
234.11174	0.2
237.03891	0.5
261.04004	0.5
264.12366	0.3
279.04938	0.8
297.06015	0.3
305.18481	0.2
355.77704	0.1
379.27060	0.7
380.27133	0.2
409.28055	0.6
410.28421	0.5
449.07037	0.9
621.54669	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02377	0.8
55.01865	0.1
55.61490	0.1
57.74799	0.2
58.08855	0.1
69.03425	0.2
70.06590	0.2
71.56647	0.3
79.01846	5.5
81.03413	0.7
97.02881	1.2
99.60859	0.1
107.01316	1.2
109.02886	0.7
123.00777	0.3
125.01444	0.3
125.02343	4.2
125.03255	0.2
127.03915	1.0
129.13940	0.2
143.03383	9.4
143.98717	0.1
144.03650	0.1
153.01816	100.0
153.02782	3.9
154.02136	0.8
155.77702	0.1
159.04402	0.2
171.02878	0.2
192.30661	0.1
213.03835	0.2
217.04848	0.2
218.44684	0.2
233.04417	0.5
243.02684	0.2
261.03912	0.6
277.03513	0.2
279.04947	0.5
297.06042	0.4
303.01657	0.2
303.04752	0.6
304.05441	0.4
305.05548	0.6
333.71112	0.1
390.55539	0.2
449.07181	1.7
619.09955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.3
51.02369	0.9
53.00294	0.1
55.01873	0.2
58.66276	0.1
68.99737	0.1
69.03412	0.3
70.83483	0.2
70.83855	0.2
79.01841	6.7
81.03404	0.9
85.02915	0.1
88.76041	0.1
97.02875	1.1
107.01305	1.5
109.02864	0.7
123.00774	0.3
125.02321	4.5
127.03891	1.0
143.03375	9.5
147.04387	0.1
153.01804	100.0
153.02785	3.9
154.02158	1.0
159.04454	0.2
171.02956	0.2
177.05345	0.1
191.03381	0.2
205.04930	0.2
213.03922	0.2
233.04337	0.6
261.03946	0.7
277.03506	0.2
279.04901	0.5
297.06033	0.2
302.94839	0.1
303.01440	0.1
305.03000	0.1
449.07016	1.2
619.08850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
56.05022	1.6
56.96565	4.6
58.06589	1.1
60.08164	6.2
63.94431	0.5
67.05505	0.6
69.07051	0.7
71.07372	4.6
71.59638	1.2
71.95226	0.7
72.08150	1.3
75.60160	0.6
81.07059	0.8
82.56092	0.5
86.09696	22.4
95.08606	1.0
102.92596	1.5
104.10733	100.0
105.07034	0.6
112.77820	0.6
124.99971	1.5
133.10143	0.7
136.93159	0.6
146.99681	0.9
154.94141	3.0
172.95230	7.9
180.95772	1.4
184.07387	0.6
190.96297	5.1
195.96840	1.1
196.12283	0.5
198.96777	18.7
200.40648	0.5
208.83476	0.7
208.97278	0.8
210.96831	0.8
212.16980	0.6
216.97832	24.6
221.98453	1.7
228.97820	4.0
239.99496	2.2
240.10013	1.6
254.99454	1.9
274.04691	0.6
283.02063	0.9
300.05328	1.9
314.06714	0.6
319.19339	8.0
337.20453	22.5
355.21460	1.3
360.22128	3.6
393.23132	0.7
407.08096	0.6
439.19153	2.1
443.18997	1.7
455.18982	1.9
473.19757	6.4
499.21332	4.9
502.26035	10.2
558.28687	18.3
618.30719	11.9
618.39844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42332	0.5
52.57867	0.5
56.96558	23.5
58.65563	0.5
67.05510	0.6
69.63858	0.6
69.92942	1.9
69.93346	1.2
71.95253	0.6
73.87450	0.7
74.97607	1.2
79.05460	0.6
81.03369	0.5
81.07073	1.1
83.08636	0.6
84.96020	14.5
93.07066	1.3
95.04944	0.9
98.97573	8.1
98.98177	0.8
102.97048	3.3
105.07031	1.7
107.08591	0.8
110.97572	0.6
112.99139	0.7
116.98603	8.3
119.08559	0.8
120.98112	1.1
124.99094	0.9
128.98586	3.1
131.00209	2.1
133.10153	0.6
134.99640	5.6
139.00687	0.6
140.98607	1.3
143.00130	6.2
144.98134	2.2
145.10143	0.6
146.99620	5.2
147.08061	0.6
149.01210	3.7
151.07501	0.5
153.00729	1.2
157.01738	1.2
158.99614	3.9
161.01199	19.2
162.99118	7.5
165.00757	1.4
166.01830	0.7
167.02321	2.5
173.01175	4.4
175.02759	1.1
177.00784	2.3
179.02260	5.3
180.94815	0.7
181.00237	1.4
182.99658	3.2
184.02869	1.3
185.01286	0.7
186.00697	1.0
190.95401	2.3
191.02319	1.4
195.01793	0.7
198.95825	5.1
201.00687	11.7
203.02371	1.1
216.96954	1.6
217.03815	0.9
219.01732	4.7
221.15297	0.7
222.95844	0.6
224.02396	1.2
224.97432	0.8
228.97012	1.5
240.96814	4.1
242.98601	1.8
246.95920	1.6
246.98083	1.2
254.98654	0.8
258.97971	1.3
264.96857	9.0
282.97928	19.3
287.98608	1.0
296.99600	1.1
300.98962	14.5
301.02206	1.0
305.99631	2.1
317.17828	18.6
318.18195	1.1
324.00616	1.0
334.49362	0.5
335.18866	11.1
357.01511	2.4
358.20801	2.0
375.02597	2.7
391.21500	2.4
498.14581	1.4
499.15405	1.7
557.20721	1.1
558.16632	2.8
581.19812	0.8
599.21906	2.9
617.23096	100.0
618.23376	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
55.01873	1.4
55.05504	0.3
57.03421	0.6
61.69498	0.3
64.30881	0.3
69.03423	10.8
70.06580	0.4
71.04964	0.3
71.20467	0.5
79.01844	3.5
79.19049	0.2
81.03413	0.9
84.08081	0.4
85.02902	2.6
86.09686	0.4
87.04479	0.7
89.03843	0.3
91.05458	1.9
93.07029	0.5
97.02880	21.3
103.05467	1.5
106.45978	0.3
107.01306	0.9
107.04910	0.5
107.08582	0.3
109.02864	1.0
112.11217	0.6
115.03140	0.5
115.03915	7.0
117.03411	0.4
119.04942	2.7
121.06471	0.3
123.04417	0.5
125.02342	3.4
127.03932	1.9
129.13829	0.4
131.04913	4.7
133.02844	0.9
137.02307	0.5
137.05948	0.4
139.03886	0.7
143.03383	6.6
145.02893	0.3
147.04393	7.4
148.04755	0.3
149.05983	0.4
151.03897	3.3
153.01810	100.0
154.02173	1.1
159.04387	7.6
163.03874	2.6
165.05472	2.6
167.03345	0.4
167.07036	0.4
171.02884	2.1
175.03897	5.8
176.04300	0.4
177.05453	4.2
179.01793	0.6
179.03372	12.5
181.01324	0.9
187.03888	0.7
187.71698	0.3
191.03436	1.4
193.01273	0.3
193.04942	6.0
195.02875	0.9
203.03404	2.6
205.04939	21.5
206.05493	0.3
207.02866	25.7
207.06468	1.0
208.03577	0.4
208.06960	0.3
209.04448	1.2
215.03281	0.3
216.04245	0.6
219.02931	1.5
220.03587	0.3
221.04424	9.7
223.02303	1.3
225.60013	0.3
231.02866	7.1
233.04451	0.8
237.03955	2.3
244.03635	2.0
245.04422	0.5
249.03911	13.4
261.03940	0.8
264.12393	0.4
267.04968	39.1
272.03088	0.7
273.03876	0.9
277.03494	0.3
279.04938	0.7
285.06015	6.5
289.03354	1.1
290.04114	2.0
297.05975	0.4
300.02563	0.3
301.03488	2.6
317.02893	2.9
318.03659	25.5
319.04095	0.8
333.06003	46.3
334.06268	0.9
335.19464	0.7
336.19888	0.4
453.04803	0.3
603.22974	0.3
616.34149	0.7
617.10852	0.7
617.34900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
55.01862	0.4
56.96551	0.5
57.03430	3.7
60.01018	0.3
61.02896	1.1
67.05474	0.3
68.99754	0.4
69.03421	2.0
69.07030	0.4
70.06606	0.6
71.58864	0.5
73.02908	6.5
79.01839	5.5
80.21837	0.3
81.07027	0.8
84.08098	0.5
85.02893	1.6
86.09677	0.7
86.13065	0.3
91.05463	0.4
93.07056	0.4
95.05001	0.4
95.08558	0.5
97.02876	2.7
105.06998	0.5
107.01305	1.0
107.08634	0.3
109.02834	0.6
115.03902	0.7
119.04937	0.5
125.02317	4.0
127.03951	0.4
134.75845	0.3
138.58679	0.3
143.03375	10.6
153.01808	100.0
153.02808	4.2
154.02159	0.8
179.03427	0.4
205.04991	0.4
217.04825	0.4
219.02869	1.7
233.04594	0.4
234.05261	0.6
244.03656	1.9
245.04527	1.8
245.08267	0.4
247.02505	0.6
259.05957	0.4
261.03989	0.7
272.03119	0.7
273.03784	1.8
277.03418	0.5
287.05359	1.5
289.03375	1.2
290.04163	3.4
301.03305	2.9
305.06567	1.1
317.02921	3.6
318.03659	34.1
319.03961	0.4
333.06000	66.0
334.06488	1.6
351.19666	0.5
465.05432	0.2
465.10226	7.9
485.07101	66.2
486.07489	1.9
579.19537	0.5
579.27905	1.8
581.28259	0.9
617.11243	11.3
617.32300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
55.01862	0.6
55.05490	0.3
58.95623	0.3
60.64338	0.3
65.03950	0.3
67.05489	0.3
68.99776	0.6
69.03423	2.1
73.59155	0.2
79.01833	4.7
81.03387	0.3
83.04957	1.1
84.08115	0.2
85.02910	0.7
91.05457	0.6
93.33140	0.2
95.19571	0.2
97.02877	1.6
104.84158	0.2
105.03409	0.3
107.01302	1.2
109.02836	0.9
111.00757	0.3
111.04416	1.8
112.11224	0.7
119.04884	0.6
120.05260	0.4
121.02845	0.5
123.00772	0.3
123.04479	0.2
125.02337	3.6
127.03872	0.6
129.05475	0.3
129.13878	0.9
133.02867	0.4
133.10088	0.3
137.02321	0.7
139.03908	0.3
143.03372	7.9
147.04382	1.0
148.04752	0.3
149.02345	0.4
151.03926	0.5
153.01807	100.0
153.02776	3.6
154.02136	0.5
161.02354	0.5
163.03917	1.0
165.01834	1.2
167.03386	0.7
171.02798	0.3
173.05963	0.5
175.03873	1.0
176.04234	0.6
177.01808	1.5
177.05473	0.3
179.03384	2.0
181.01274	0.7
183.02754	0.3
185.05966	0.3
185.67831	0.3
187.03970	0.3
189.01828	0.5
191.03397	0.8
191.07159	0.3
195.02872	0.9
199.03816	0.3
201.05484	1.0
203.03358	0.8
205.04860	0.4
207.02850	3.8
207.06473	1.1
208.06747	0.4
209.04683	0.3
209.51611	0.2
213.05481	0.9
217.04941	0.6
219.02931	0.9
219.06407	2.1
221.04460	1.0
223.02373	0.3
227.03326	0.3
229.04965	0.3
231.02876	0.4
231.06572	0.3
233.04303	0.7
235.05855	0.3
237.03966	0.7
239.35495	0.3
241.04919	1.0
243.02721	0.4
245.04495	0.9
247.02370	0.3
255.02725	0.5
257.04333	0.5
258.05173	0.3
259.02280	0.6
259.05966	0.6
263.05472	1.5
264.12274	0.5
265.12579	0.3
268.04007	0.3
269.04474	1.5
273.03848	0.5
281.06558	7.8
285.04013	0.4
287.05518	1.0
297.03787	2.6
299.07544	2.9
301.03510	1.6
303.04865	0.4
313.03058	0.3
314.04279	0.5
315.04919	4.1
318.03705	0.5
319.04398	2.6
325.03244	0.9
327.05130	0.5
329.02872	9.5
329.06149	0.3
331.04443	8.2
332.05109	0.7
335.19522	0.6
336.19937	0.8
342.03622	0.3
343.04449	19.2
345.06097	0.6
347.04068	0.3
355.04230	0.6
357.05981	1.5
361.05484	20.4
369.05923	0.6
373.05585	1.5
383.07504	1.0
385.05472	4.0
387.07254	0.4
403.06754	0.4
411.07025	3.5
429.08096	4.8
447.09177	6.3
465.10202	5.2
513.06628	2.6
521.26251	0.2
599.09601	0.3
616.33673	0.9
617.11273	1.3
617.34790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1127
Annotation	Desmanthin 1
Peak:m/z	Relative Intensity
51.02370	0.9
55.01860	0.4
61.02904	0.5
68.99770	0.8
69.03410	1.9
70.81644	0.8
79.01836	5.3
81.03400	0.5
82.66762	0.3
83.04509	0.3
83.04975	1.2
83.41622	0.3
85.02883	0.8
91.05463	0.4
92.33093	0.3
97.02863	1.0
107.01297	1.5
109.02847	0.5
109.12988	0.3
111.00780	0.4
111.04434	1.7
112.11238	0.8
119.04999	0.6
121.02894	0.3
125.02334	3.8
125.32262	0.3
127.03902	0.7
129.05406	0.4
129.13916	0.3
133.02783	0.3
133.10103	0.3
137.02339	0.6
139.03873	0.6
143.03375	6.9
147.04408	0.7
149.02296	0.4
151.03932	0.6
153.01811	100.0
153.02811	4.1
154.02182	0.3
161.02348	0.8
163.03879	0.6
165.01775	0.8
167.03409	0.8
171.02945	0.3
173.05945	0.4
175.03896	1.4
177.01802	0.9
179.03346	1.5
181.01329	0.7
183.02859	0.6
185.05898	0.5
189.01839	0.6
190.61868	0.3
191.03378	0.7
191.06973	0.4
195.02911	1.6
201.05510	0.8
202.41769	0.4
203.03380	1.3
205.04987	0.5
207.02849	3.1
207.06538	0.7
208.06821	0.5
213.05498	0.9
217.04984	0.5
219.02907	1.2
219.06444	1.7
221.04488	0.8
222.22290	0.3
223.02386	0.7
229.04973	0.6
233.04501	0.4
235.06134	0.5
237.03970	0.5
241.05028	0.9
245.04449	1.2
252.45087	0.4
253.05023	0.4
255.02914	0.4
257.04446	0.5
259.02377	0.5
259.06003	0.8
263.05508	1.1
264.12296	0.4
265.12692	0.4
269.04404	2.1
273.03873	0.4
281.06573	6.7
285.03943	0.8
287.05466	0.9
295.06213	0.3
297.03818	2.8
299.07614	2.5
301.03348	2.0
303.05005	0.4
314.04214	0.6
315.04935	5.4
318.03665	0.5
319.04492	3.1
325.03461	1.4
327.04971	0.8
329.02890	8.7
329.06320	0.6
331.04413	8.3
332.05176	0.8
335.19391	0.4
336.19748	0.6
343.04440	20.5
345.06030	0.6
355.04456	0.5
357.05927	1.6
361.05493	19.7
362.05789	0.5
369.05942	0.6
373.05429	1.4
383.07553	1.3
385.05511	4.2
411.07162	3.2
429.08109	5.0
447.09174	5.4
465.10315	5.3
513.06531	2.9
616.34247	0.8
617.00299	0.3
617.10706	1.7
617.33887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1132
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02367	0.7
55.01860	0.4
56.04836	0.3
62.15147	0.3
68.99777	0.3
69.03422	2.0
69.78203	2.2
79.01846	2.9
81.03404	0.7
85.02886	1.9
86.09751	0.3
91.05479	0.5
97.02884	12.4
97.03510	0.6
98.21460	0.6
99.04429	0.7
103.05466	0.5
107.01313	1.0
109.02882	1.9
119.04955	0.5
125.02322	3.1
127.03926	2.6
131.04901	2.1
133.02873	0.3
137.02296	1.6
143.03383	7.7
145.02803	0.5
145.04932	1.0
147.04402	0.9
149.06070	0.5
151.03798	0.5
153.01816	100.0
153.02776	3.6
154.02147	0.9
159.04401	4.5
163.03891	2.2
165.01857	0.6
165.05437	0.4
171.02873	1.7
171.04277	0.5
175.03848	1.8
177.05489	2.0
179.03416	1.7
181.01323	0.9
183.02916	0.6
187.03853	1.8
189.05479	0.4
191.03346	2.8
193.04967	0.8
195.02873	0.6
197.00830	0.9
201.05435	0.5
203.03387	0.7
205.04947	8.3
207.02876	8.2
207.06456	0.6
209.04398	0.4
211.02368	0.7
215.03438	1.8
217.05017	0.5
221.04401	3.5
223.02382	0.9
229.04951	1.2
233.02119	0.7
233.04440	12.1
234.04623	0.3
235.02376	1.4
237.03894	2.6
243.02972	0.7
249.03931	2.8
251.05516	1.0
257.04517	0.4
261.03931	4.1
276.43170	0.4
279.04984	6.9
282.64407	0.3
297.05994	7.3
303.04965	20.5
315.07199	5.4
327.04886	0.6
345.05911	0.5
546.65588	0.3
567.28937	0.4
585.29437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.4
51.02375	1.2
51.85917	0.3
53.03936	1.8
57.03436	0.3
63.54734	0.3
64.92159	0.3
67.08976	0.3
69.03067	0.5
69.03422	7.1
69.93205	0.8
69.93613	0.7
70.06585	2.0
71.04977	1.4
74.86918	0.2
79.01844	7.3
81.03407	12.6
84.02270	0.3
85.02905	1.1
86.06060	0.8
86.09691	0.5
87.94301	0.3
89.25072	0.3
91.05474	0.8
97.02885	5.1
98.21422	0.4
99.04439	2.2
103.05460	0.6
107.01313	1.7
109.02866	9.4
119.04959	0.7
123.00790	0.3
125.02322	5.3
125.03236	0.3
126.05470	0.3
127.03894	4.9
129.13943	0.3
131.04950	0.4
143.03380	10.6
145.02802	0.4
145.05043	0.3
147.04422	0.7
153.01811	100.0
153.02792	4.2
157.02885	0.9
159.04469	0.4
163.03854	0.4
166.79189	0.2
171.02885	2.1
173.02380	0.3
175.03923	1.4
185.02325	1.2
187.03871	3.1
191.03401	0.7
195.35713	0.3
201.01773	1.3
203.03354	2.3
211.14391	0.4
211.68393	0.3
213.01799	2.1
215.03409	2.4
219.02888	0.6
229.01283	1.0
230.02097	0.4
231.02858	12.9
231.05182	0.6
233.04485	0.4
241.01285	2.3
245.14900	0.6
247.02281	1.6
257.00763	1.2
259.02353	20.4
260.02884	0.3
261.04007	0.5
275.01840	2.0
276.02621	3.1
277.03400	68.8
278.03690	0.7
285.00333	0.9
297.05997	2.8
303.01318	22.3
305.02829	0.5
321.02350	1.2
341.05127	0.5
355.04480	0.3
363.03467	0.5
407.20212	0.7
437.08105	0.4
455.28516	0.4
504.25568	0.6
617.06122	2.4
617.14728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11423	0.8
55.05495	2.4
57.07072	31.8
58.77791	0.8
59.05000	0.8
67.05493	0.8
69.07036	1.3
70.07802	0.8
70.78799	2.5
71.08627	27.6
71.40221	0.7
72.89127	0.7
73.02888	1.2
73.06548	9.7
81.07045	0.8
83.08625	4.8
85.10176	27.9
87.04474	8.4
89.06026	100.0
95.37638	0.7
97.10178	1.2
97.86354	0.8
99.11719	2.9
107.07052	6.6
117.09126	7.2
130.08603	3.6
131.07024	2.9
133.08594	49.0
141.16391	4.3
145.60338	0.7
161.11722	2.2
177.11206	19.3
182.22369	0.8
185.18987	6.8
221.13814	3.8
223.30574	0.8
226.21710	1.4
229.21576	8.7
239.15062	0.8
273.24268	5.0
283.17435	1.0
302.46945	0.8
327.20517	1.1
408.04102	0.9
441.34668	0.8
459.27609	1.8
497.13971	0.8
498.14728	1.6
557.16333	1.3
599.43408	4.7
616.17426	3.6
616.46130	1.6
617.17474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.05019	0.9
56.96564	5.0
57.03424	0.8
57.07054	0.5
58.06589	0.7
60.08161	6.3
67.05492	1.9
69.07036	0.5
70.13471	2.3
71.07365	4.9
71.95251	0.8
72.08130	0.9
74.97626	0.5
79.05488	1.6
81.07030	1.2
83.08587	0.6
86.09696	24.8
91.05419	0.6
93.07043	1.1
95.08598	0.8
97.06519	0.4
98.98478	0.5
102.09161	0.6
102.92592	0.6
104.10732	100.0
105.07030	1.1
105.11085	0.8
107.08555	1.0
109.10137	0.6
119.08616	1.1
121.10143	0.8
124.99961	2.5
131.08540	0.6
131.82668	0.5
134.99666	0.9
136.93092	0.5
145.10117	0.6
146.99637	1.8
149.02298	0.6
149.13222	0.5
151.07549	0.6
154.94171	1.6
157.10150	0.8
168.74597	0.6
171.11618	0.6
172.95238	6.6
180.95741	1.5
181.02647	0.6
184.07330	8.5
190.96254	5.5
194.05228	0.8
195.96710	0.9
198.96770	14.3
209.13316	0.5
210.96751	1.0
216.97827	16.6
217.04008	0.5
217.07469	0.7
221.15385	1.2
221.98396	1.3
228.97859	3.6
234.98792	0.5
239.99352	1.1
240.09998	1.8
254.99500	1.8
282.04187	0.7
300.05234	1.6
314.07193	0.6
317.17847	20.2
335.18930	12.1
335.25519	0.6
358.20447	3.1
373.20276	0.8
386.09430	0.7
437.17511	1.6
441.17108	1.7
453.17075	3.3
471.18311	4.3
483.12329	3.2
494.19833	0.9
497.13470	4.9
497.20566	4.3
498.14853	8.7
499.15448	1.3
500.24423	10.5
504.71884	0.6
524.33984	0.6
556.27118	17.4
557.16272	12.4
558.16656	1.8
616.17511	21.9
616.29175	8.4
616.40302	1.2
617.17883	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29401	1.2
52.94765	1.3
55.01844	1.9
58.06589	4.4
58.62329	1.1
65.03930	2.0
69.03442	3.0
69.52209	1.1
70.06573	2.1
71.59274	2.0
72.08142	4.1
74.26208	1.5
81.03403	4.9
84.08135	24.5
85.01202	1.2
85.96034	1.2
89.03925	2.4
91.05479	30.4
97.02874	1.4
98.09682	2.2
109.02840	2.7
112.11234	52.1
112.33200	1.3
119.04929	50.5
127.03876	1.4
129.13869	42.4
132.02008	1.3
143.03448	1.5
145.02840	4.5
147.04395	48.4
148.13736	1.3
149.02316	1.4
153.01836	18.2
153.02997	2.5
155.11836	6.3
157.03990	3.3
163.98367	1.3
174.05510	1.9
175.03897	88.3
177.05479	5.7
179.07040	2.0
203.22345	2.1
207.06506	85.3
221.01007	1.4
263.14023	4.8
264.12286	47.9
278.13855	1.4
313.06012	1.4
335.19638	53.6
391.27112	1.7
409.28067	20.6
453.00790	1.5
531.86047	1.4
550.98218	1.4
597.32294	2.4
598.23041	1.5
598.31439	14.0
615.33844	100.0
616.34131	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	614.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53175	1.2
55.05505	3.5
55.64571	1.2
56.37111	1.1
57.07074	58.3
57.71522	1.2
67.05494	1.5
69.07067	9.9
70.04128	4.6
71.08633	50.8
73.06200	1.2
73.06548	5.9
76.71931	1.0
79.05486	2.1
81.07045	1.7
83.08607	4.4
85.10184	35.8
87.04469	7.7
89.06031	100.0
93.07052	1.5
97.10164	3.3
99.11718	8.5
105.57731	1.2
107.07063	5.3
109.12234	1.0
111.11716	3.6
113.13282	8.3
117.09153	7.2
125.13224	3.3
127.14838	2.3
130.08632	3.8
131.07043	3.4
133.08603	73.5
154.58228	1.2
177.11221	29.0
183.21098	2.8
221.13844	4.5
222.26862	1.1
223.15312	1.3
227.23752	1.4
239.14877	3.1
265.16513	1.2
270.33676	1.2
271.26331	4.3
283.17569	1.7
315.28937	4.2
327.20059	2.5
371.22815	2.3
415.25351	6.9
478.10699	1.3
553.42981	1.4
597.45654	7.8
614.47760	2.6
641.11053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03925	1.4
53.51102	1.0
55.05503	14.8
57.03428	4.5
57.07063	2.7
57.41939	1.0
58.19823	0.9
65.03924	2.3
67.05493	47.4
69.07058	15.8
69.91911	5.4
69.92208	1.6
71.04980	2.2
71.08624	1.2
72.93444	1.2
73.79330	1.0
79.05481	26.6
81.07044	52.4
83.04974	1.3
83.08609	9.3
85.06518	1.5
88.42283	0.9
91.05463	23.9
91.06001	1.6
93.07030	33.9
95.04962	3.0
95.08592	40.6
97.06525	2.6
97.10170	4.1
98.20750	1.0
98.45343	1.0
99.08082	2.3
104.55887	0.9
105.07011	20.5
105.07669	1.4
107.08585	21.0
109.10135	21.0
111.08115	1.6
117.06995	8.7
117.07666	1.2
119.08564	23.3
119.09345	1.7
121.10121	17.1
123.08029	1.2
123.11684	8.5
125.09637	1.0
129.07002	3.8
131.08542	18.5
133.10118	16.0
135.11665	12.8
137.09535	1.2
137.13213	2.0
143.08527	6.9
145.10098	14.8
147.11674	13.3
149.13228	6.3
151.14793	1.5
155.08586	2.3
157.10092	6.5
159.08131	1.0
159.11662	12.3
161.13239	9.2
163.14865	3.0
167.08420	1.1
169.10101	1.9
171.10422	0.9
171.11633	5.4
173.13240	8.5
175.14861	4.4
177.16368	1.9
179.14299	1.4
183.11696	2.3
183.49509	0.9
185.13191	5.0
187.14809	4.6
189.16396	3.1
197.13281	1.2
199.14807	4.0
201.16455	4.0
202.71474	1.0
203.17975	1.3
211.14842	1.5
213.16452	2.2
215.17960	2.2
217.19519	2.0
225.16377	1.2
231.17358	1.3
231.20840	1.2
241.19566	3.0
243.21194	1.8
245.22748	1.5
257.18997	1.3
259.20517	6.8
261.22037	11.2
263.23859	1.3
273.22113	1.3
275.23563	1.1
277.21698	2.2
299.23685	1.2
301.25235	1.2
303.26541	1.1
309.24326	1.6
315.23273	1.2
315.26672	1.2
315.89050	1.0
333.24265	4.1
335.25726	14.0
337.27301	8.8
369.31781	1.5
378.28320	1.0
489.35889	1.5
491.37296	1.6
503.37155	1.9
521.43396	6.7
529.39038	2.4
539.44537	4.8
557.41449	1.2
595.46973	10.9
613.48151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4818
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03936	3.6
55.01855	2.5
55.05507	31.8
57.03433	9.6
57.07071	7.6
65.03940	4.2
67.05497	86.3
69.07065	33.5
70.90257	3.7
71.04975	4.1
71.08633	1.7
78.21271	1.2
79.05486	49.4
81.07051	100.0
83.04977	2.9
83.08607	17.2
85.06558	2.9
91.05472	41.7
93.07034	67.5
95.04936	7.2
95.08597	86.8
97.06515	3.8
97.10158	9.1
98.59190	1.2
99.08089	2.7
103.05452	1.3
105.06472	1.0
105.07022	39.7
107.08584	42.2
109.06526	2.4
109.10149	41.1
111.08066	4.1
111.11755	2.0
113.09617	1.7
117.07006	17.8
119.08572	40.3
121.10136	38.8
121.11022	2.1
123.08086	1.5
123.11687	14.6
125.09634	1.6
129.07011	8.0
131.08562	31.8
133.10117	37.0
135.11678	25.9
137.09625	2.4
137.13251	5.2
141.07024	2.4
143.08560	10.8
145.10106	33.0
145.11243	1.6
147.11674	28.6
149.09601	1.6
149.13245	15.2
151.14862	1.8
155.08574	3.7
157.10117	11.9
159.11678	26.1
161.13255	18.8
163.14807	7.9
165.16315	1.5
169.10175	3.8
171.11662	11.7
173.13269	21.3
175.14848	8.4
177.12827	1.9
177.16345	2.4
183.11720	5.8
185.13187	10.2
187.14830	12.3
189.16335	3.4
195.11795	1.7
197.13309	4.7
199.14900	6.8
201.16408	5.1
203.17967	3.2
204.38664	1.4
211.14850	2.4
213.16420	5.4
213.33224	1.5
215.17958	2.6
217.19556	2.4
225.16364	1.9
227.17949	2.6
229.19493	2.4
233.19061	2.2
241.19577	4.5
243.21094	2.0
245.22643	2.6
259.20578	11.2
261.22159	14.7
263.23624	2.4
273.22012	2.1
275.23605	1.9
287.23669	2.2
289.25320	1.7
299.23831	2.2
317.24658	3.5
333.24274	4.8
335.25848	16.1
337.27429	8.2
347.26212	1.6
354.13525	1.5
415.25391	1.5
426.16293	1.6
489.35916	2.4
521.43402	6.1
522.15582	1.5
529.38580	2.5
531.40271	2.5
539.45062	3.3
544.97675	1.4
595.47382	8.0
613.48212	81.6
614.48602	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82703	1.5
56.96293	2.7
56.96560	40.0
66.53912	1.3
67.05477	1.4
71.95242	2.3
72.23294	1.3
74.49516	1.6
84.96017	3.9
97.86048	1.3
98.91927	1.5
98.96918	2.8
98.97572	55.1
109.55730	1.4
112.99125	9.8
116.98615	53.4
118.48588	1.2
122.16558	1.4
124.42653	1.2
128.98575	6.3
131.00154	38.2
134.99638	38.9
140.00140	5.4
143.00146	6.0
146.99672	9.6
149.01205	65.7
152.98674	1.3
153.00671	6.0
154.01695	4.1
158.01207	5.7
158.99641	30.1
161.01219	15.0
162.99191	2.3
165.00719	2.2
167.02266	14.5
170.99666	3.9
172.02762	6.8
173.01175	7.5
175.02795	3.2
177.00693	62.6
177.35468	1.4
179.02272	3.7
184.02783	2.0
185.01268	3.9
189.00740	7.9
190.03856	1.6
191.00726	1.8
191.02243	11.6
195.01689	8.1
199.02739	12.1
200.02328	8.4
201.00648	2.6
203.02249	7.4
205.03891	2.5
209.01199	3.1
215.02325	2.4
217.03854	9.2
219.01727	10.3
227.02171	3.2
237.02751	6.5
240.05412	1.8
245.10489	1.4
275.04294	14.7
293.05402	60.4
309.04843	1.7
311.06470	16.8
316.06995	8.6
317.17847	100.0
334.07922	1.9
335.18896	52.3
358.20404	15.2
359.18869	1.6
377.19815	10.2
391.21442	3.4
403.21548	2.2
497.24295	6.9
537.30188	3.3
553.26788	84.3
554.27020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	42.1
67.05500	2.1
69.70397	5.3
69.70820	2.8
71.95246	2.1
79.05482	1.7
81.60249	1.1
84.96043	4.7
91.05479	1.8
93.07050	1.8
98.97577	53.4
110.97594	1.7
112.99123	13.4
116.98613	56.7
120.43459	1.1
128.98607	6.0
131.00159	39.0
131.01117	2.3
134.99654	35.4
135.00653	2.5
140.00204	4.7
142.84280	1.1
143.00177	8.4
144.98102	1.2
146.99641	11.3
149.01213	60.6
153.00699	5.4
154.01758	3.7
158.01241	3.6
158.99661	22.6
161.01201	16.2
162.99084	2.2
165.00726	1.4
167.02263	14.0
170.99675	3.4
172.02773	8.1
173.01244	6.4
177.00700	53.4
179.02249	3.8
184.02843	1.9
184.21413	1.1
185.01318	3.2
189.00684	5.7
190.03787	1.7
191.02284	10.5
195.01768	8.0
199.02831	9.0
200.02345	6.6
203.02260	6.6
207.01823	1.6
209.01254	3.5
214.03801	1.6
215.02322	4.9
217.03813	6.6
219.01819	11.6
227.02289	4.4
233.03404	3.6
237.02803	7.2
245.10582	2.0
275.04355	15.5
293.05420	65.5
309.04877	1.7
311.06464	15.8
316.06949	8.5
317.17853	100.0
318.18396	1.8
334.07983	4.3
335.18921	50.4
335.22913	2.6
358.20535	16.2
377.20053	8.9
391.21429	4.2
403.21603	2.3
497.24014	4.9
535.25653	2.0
553.26825	63.6
554.27472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60307	1.4
53.03941	3.1
55.01861	2.5
55.05506	15.6
57.03429	4.5
57.07062	4.6
67.05494	27.3
69.03439	1.4
69.07059	11.7
69.58627	12.4
71.04990	2.0
71.08621	3.2
79.05482	20.8
81.03449	1.6
81.07043	29.0
83.05019	1.8
83.08617	8.2
84.97655	1.5
91.05453	12.4
93.07046	12.4
95.04968	3.8
95.08588	23.8
95.09151	2.0
96.43225	1.7
96.45335	1.7
97.06557	1.6
97.10178	4.4
105.07011	18.0
107.08591	13.6
109.10159	9.7
111.08141	1.7
117.06993	9.7
119.08559	14.0
121.10139	7.2
123.11716	3.0
125.09577	1.7
128.06256	2.8
129.06984	11.6
131.08559	17.2
133.10088	10.4
135.11720	5.4
141.06973	3.6
141.35727	1.5
142.07848	1.6
143.08543	15.2
145.10095	16.6
147.11693	6.7
149.13257	2.8
155.08531	9.5
156.09404	1.8
157.10114	15.4
159.11644	12.5
161.13287	4.7
163.14781	3.0
167.08684	2.3
169.10092	11.0
171.11659	12.3
173.13245	9.2
181.10240	4.6
183.11710	11.0
185.13237	7.8
187.14836	6.9
195.11664	3.8
197.13336	7.7
199.14755	7.6
201.16440	2.6
209.13261	3.4
211.14935	5.9
213.16423	4.9
215.17932	2.4
223.14844	2.0
225.16504	5.1
227.18002	3.1
229.19682	2.1
229.21899	1.5
235.14867	3.5
237.16481	3.1
239.17810	3.2
241.19777	2.3
255.21034	2.3
267.21198	2.0
269.22690	2.1
275.51480	1.5
279.21317	2.2
280.51996	1.5
283.24567	1.6
323.23688	2.0
339.26974	1.7
439.35974	2.2
501.40805	2.8
519.42181	13.6
537.43073	9.9
565.91150	1.8
575.45111	2.0
593.45660	16.2
611.46710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01864	1.5
55.05512	14.4
57.03432	4.6
57.07079	3.4
65.03948	3.1
67.05505	38.5
69.07069	13.2
71.05018	1.8
71.08637	1.6
79.05491	27.9
81.03412	0.8
81.07056	38.2
83.04993	1.0
83.08625	7.7
85.06550	1.4
89.06029	2.7
89.60364	0.8
91.05478	25.8
93.07045	30.0
93.07621	1.7
94.07373	0.7
95.04968	3.0
95.08604	28.6
97.06537	2.7
97.10172	2.7
99.08076	0.9
103.05467	1.1
105.07029	23.7
107.04919	0.8
107.08595	17.5
109.06505	1.9
109.10152	12.1
111.08093	1.1
113.09678	0.8
115.05432	0.9
117.07013	11.2
119.08575	21.7
121.10153	12.8
123.08083	0.9
123.11719	4.1
125.09622	0.9
128.06241	2.4
129.07030	8.6
130.07806	1.0
131.08568	19.6
131.09508	1.3
132.48540	0.6
133.08618	1.7
133.10130	18.6
135.11696	11.5
141.07013	2.2
142.07741	1.7
143.08572	11.0
145.10118	17.3
147.08029	0.8
147.11679	12.5
149.09563	1.0
149.13292	6.0
155.08536	5.6
156.09399	0.9
157.10133	11.7
159.11673	14.7
161.13249	10.6
163.14862	2.5
167.08606	1.3
169.10083	5.8
170.10724	1.1
171.11694	11.0
173.13272	9.7
175.14793	4.2
177.12848	0.9
177.16382	1.2
181.10159	2.5
183.11697	6.9
184.12373	0.8
185.13281	8.2
187.14838	4.4
189.16357	2.2
193.10139	0.8
195.11720	2.9
197.13315	5.1
198.13785	0.8
199.14853	5.0
201.16373	3.4
203.17928	1.2
209.13289	1.5
211.14870	3.2
213.16362	4.0
215.17961	1.8
217.19586	1.2
223.14938	2.3
225.16426	2.2
227.18013	2.9
229.19611	1.5
231.21149	1.5
235.15024	0.8
237.16406	1.7
239.18042	1.9
241.19676	6.2
243.20972	0.7
251.18129	0.9
253.19548	1.0
257.19055	2.8
259.20535	12.4
261.22156	2.7
267.21179	1.1
269.22903	1.0
275.20123	0.8
277.21783	1.3
283.20786	1.2
285.22205	0.9
297.21869	1.4
299.23672	1.2
311.23956	0.8
315.23239	1.1
323.23798	1.0
325.25269	1.8
327.26767	0.8
333.24265	8.6
335.25809	11.0
337.27493	1.1
339.26996	1.1
341.24838	1.0
351.26791	0.9
353.28336	1.8
421.34607	0.9
449.33871	0.8
487.34210	0.9
501.41269	1.0
503.37546	1.0
519.41937	7.2
529.38757	1.0
537.42731	3.2
541.38721	1.8
565.91241	1.5
593.45703	8.5
611.46625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95426	1.1
53.03936	3.7
55.01864	2.1
55.05259	1.2
55.05506	17.0
57.03421	6.3
57.07063	3.4
60.55432	1.0
65.03926	2.9
67.05498	47.4
69.07061	17.7
71.04981	2.0
71.30681	1.6
71.31010	1.2
73.08988	0.9
79.05484	36.9
81.07050	48.5
82.07439	0.9
83.04978	2.5
83.08608	8.0
85.06532	1.7
91.04891	1.4
91.05470	33.1
93.07031	39.9
95.04964	6.1
95.08600	38.9
95.09079	1.1
97.06516	2.5
97.10168	4.6
99.08119	1.4
103.05473	1.3
105.04501	1.6
105.07021	32.7
107.08583	23.7
107.09283	1.6
109.06466	1.4
109.10146	13.9
115.05428	1.3
117.07000	14.1
119.08570	28.6
121.10124	18.6
123.11695	5.7
125.09590	1.7
128.06218	2.7
129.06976	8.6
130.07770	1.4
131.08557	26.0
133.10117	22.9
133.11082	1.9
135.11690	10.4
137.13206	1.2
141.06967	3.8
142.07765	2.7
143.08556	11.7
145.10112	22.1
145.11247	1.1
147.11682	18.8
149.13257	6.9
155.08577	6.4
156.09373	1.4
157.10118	13.4
159.11688	18.3
161.13243	11.6
163.14851	3.6
167.08557	1.8
169.10114	6.6
169.50655	1.0
171.11673	12.1
173.13245	12.4
175.14844	4.5
177.16417	1.5
181.10176	1.6
183.11621	6.4
185.13252	10.7
187.14835	4.3
195.11700	2.9
197.13200	5.7
199.14812	6.2
201.16388	2.0
203.17844	1.1
209.13274	1.2
211.14864	2.7
213.16437	3.8
215.17960	3.2
223.14777	2.4
225.16380	3.2
227.17949	2.3
231.17462	1.4
231.21042	1.7
239.18048	2.1
241.19565	7.7
243.21147	2.1
257.19016	3.7
259.20560	15.4
259.23096	1.7
261.22229	3.1
269.22803	1.3
271.20523	1.2
275.20074	1.1
275.23734	1.1
297.22275	1.7
315.23196	1.6
331.22418	1.2
333.24188	10.4
335.25778	19.1
353.28531	2.1
383.13010	1.0
409.31027	1.2
439.35535	1.2
501.41205	1.3
519.41797	7.0
537.43054	4.4
565.91455	1.4
593.45587	6.2
601.78101	1.3
611.46600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01840	1.7
55.05503	18.3
57.03425	8.1
58.51604	1.3
65.03928	1.5
67.05497	44.1
68.05818	1.2
69.07058	16.7
70.90341	3.3
71.04983	2.3
75.48734	1.3
78.45138	1.2
79.05486	28.8
79.05923	1.0
79.93082	1.2
80.43856	1.4
81.07049	42.7
83.05019	1.9
83.08617	7.5
85.06535	4.0
91.04957	2.3
91.05470	27.6
93.07036	31.3
95.04926	3.2
95.08597	34.0
97.06532	2.1
97.10147	3.3
105.07015	29.0
107.08582	21.2
107.76341	1.3
109.10130	13.4
111.08064	2.1
117.07005	11.2
119.08564	28.8
121.10136	17.4
123.11714	5.4
129.06989	9.2
130.07822	2.0
131.08553	22.2
133.10123	19.2
135.11684	14.2
141.06982	2.0
143.08543	11.6
145.10106	20.4
147.11671	17.9
149.13229	8.2
155.08566	5.7
157.10092	12.9
159.11693	17.2
161.13235	13.0
163.14824	2.6
169.10069	7.1
171.11649	12.3
173.13243	11.6
175.13458	1.2
175.14748	8.0
183.11659	6.1
185.13240	11.7
187.14740	8.0
191.14331	1.4
195.11574	1.8
197.13283	5.5
199.14767	7.4
201.16441	3.3
211.14751	3.5
213.16388	3.7
213.89426	1.3
215.18027	2.8
221.13258	1.6
225.16309	3.3
229.19547	1.9
239.17986	2.1
241.19595	7.8
242.69266	1.4
257.19049	3.9
259.20541	14.2
261.22174	4.2
287.23792	2.0
315.23300	1.9
333.24133	11.4
335.25839	20.4
353.28421	2.0
399.97107	1.3
519.42078	7.1
537.43231	2.9
553.84253	1.7
593.45715	10.7
611.46619	100.0
612.46747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
56.96544	2.0
58.46898	0.9
58.99858	2.7
67.05495	4.2
69.07062	2.5
71.59657	1.6
77.00900	14.4
79.05484	6.3
81.07048	3.5
83.08602	1.7
91.05470	4.3
93.07030	7.8
95.01362	1.9
95.01923	15.2
95.08568	2.3
97.10158	1.0
100.02473	2.0
104.68385	1.0
105.07016	4.2
107.08578	3.2
109.10132	1.3
117.07041	1.8
118.03488	1.2
119.08595	4.3
121.10159	1.7
131.01898	7.7
133.10124	2.3
136.06184	1.2
139.05988	0.9
145.10110	3.6
147.04384	2.1
147.11642	1.6
149.02979	6.6
159.11641	1.6
169.07034	1.6
171.11674	1.1
173.06534	1.7
177.05829	1.0
185.06567	1.5
185.13248	1.1
187.08151	2.4
201.09721	3.0
203.07579	1.7
205.09258	2.3
213.09621	1.1
215.11227	5.7
219.10561	1.9
227.11339	2.8
229.12822	3.2
233.12367	3.4
247.11768	3.0
247.14049	1.5
259.13315	1.7
261.13202	1.9
279.14212	1.4
289.16489	1.6
297.16968	4.2
299.15146	2.2
299.18515	36.8
300.18799	1.0
301.20016	1.9
311.01318	1.2
313.16501	2.9
315.18051	28.2
317.19574	100.0
318.20163	2.3
319.21213	5.0
329.19724	1.2
331.21185	1.9
333.19128	2.7
334.17679	2.1
335.20642	56.1
336.20987	1.5
338.19699	6.0
340.21155	19.1
340.24979	1.6
342.22821	1.5
343.21173	1.8
353.21707	2.0
357.23001	1.3
358.22241	5.6
369.22574	1.2
381.23160	1.9
387.24130	1.2
405.26001	1.2
409.25650	1.3
505.31821	1.4
557.38184	1.3
565.90875	1.9
575.39465	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	611.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
56.96544	2.0
58.46898	0.9
58.99858	2.7
67.05495	4.2
69.07062	2.5
71.59657	1.6
77.00900	14.4
79.05484	6.3
81.07048	3.5
83.08602	1.7
91.05470	4.3
93.07030	7.8
95.01362	1.9
95.01923	15.2
95.08568	2.3
97.10158	1.0
100.02473	2.0
104.68385	1.0
105.07016	4.2
107.08578	3.2
109.10132	1.3
117.07041	1.8
118.03488	1.2
119.08595	4.3
121.10159	1.7
131.01898	7.7
133.10124	2.3
136.06184	1.2
139.05988	0.9
145.10110	3.6
147.04384	2.1
147.11642	1.6
149.02979	6.6
159.11641	1.6
169.07034	1.6
171.11674	1.1
173.06534	1.7
177.05829	1.0
185.06567	1.5
185.13248	1.1
187.08151	2.4
201.09721	3.0
203.07579	1.7
205.09258	2.3
213.09621	1.1
215.11227	5.7
219.10561	1.9
227.11339	2.8
229.12822	3.2
233.12367	3.4
247.11768	3.0
247.14049	1.5
259.13315	1.7
261.13202	1.9
279.14212	1.4
289.16489	1.6
297.16968	4.2
299.15146	2.2
299.18515	36.8
300.18799	1.0
301.20016	1.9
311.01318	1.2
313.16501	2.9
315.18051	28.2
317.19574	100.0
318.20163	2.3
319.21213	5.0
329.19724	1.2
331.21185	1.9
333.19128	2.7
334.17679	2.1
335.20642	56.1
336.20987	1.5
338.19699	6.0
340.21155	19.1
340.24979	1.6
342.22821	1.5
343.21173	1.8
353.21707	2.0
357.23001	1.3
358.22241	5.6
369.22574	1.2
381.23160	1.9
387.24130	1.2
405.26001	1.2
409.25650	1.3
505.31821	1.4
557.38184	1.3
565.90875	1.9
575.39465	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	611.1594
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
50.28134	0.7
61.02917	0.8
68.99778	1.1
69.03411	4.0
73.02889	1.0
81.03374	2.4
85.02439	0.8
85.02895	9.1
87.04427	1.1
97.02885	4.2
97.03392	0.8
99.04418	0.9
109.02821	1.2
121.02818	1.1
126.36105	0.6
127.03902	1.6
135.04379	2.2
137.02310	5.7
141.01738	1.3
149.02356	1.5
153.01808	0.9
161.02303	1.8
163.03815	2.0
165.01801	8.2
167.03380	4.3
179.03311	1.3
181.04916	1.0
183.02835	5.2
187.03781	1.0
190.07623	0.6
191.03387	1.3
195.02821	2.7
215.03477	0.8
233.04315	1.1
236.06207	0.6
245.04382	1.5
255.06371	1.7
258.05164	1.0
262.80832	0.7
283.05914	9.7
286.04645	4.0
287.05490	8.5
295.05948	1.1
297.07434	8.0
299.05441	86.9
300.06128	12.0
301.06949	1.0
311.05515	10.4
311.08899	1.5
313.06998	2.1
321.07687	2.0
323.05515	1.5
324.06378	2.7
325.03448	1.9
325.06970	23.1
327.04871	0.7
329.06494	100.0
330.06808	1.7
337.07028	2.4
339.04721	1.3
339.08548	14.9
341.06583	0.9
343.42569	0.8
349.07022	3.3
353.06485	38.3
365.06525	9.1
367.08087	1.3
377.06506	9.4
383.07532	23.6
395.07547	15.5
413.08566	17.8
431.09656	26.1
449.10779	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	611.1596
Annotation	Isorhamnetin 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
56.04993	0.4
57.03392	0.9
58.98806	0.3
61.02897	0.3
69.03394	0.6
69.28621	2.9
70.06541	0.4
71.04955	0.9
73.02886	0.9
80.88248	0.3
81.84421	0.3
83.04972	0.3
84.08100	0.3
85.02887	1.5
85.49767	0.3
109.02843	0.3
110.03652	0.3
110.58433	0.2
123.66376	0.3
129.05392	0.3
133.06403	0.4
137.02304	1.4
145.02827	0.6
147.04324	0.3
153.01775	1.7
161.05988	0.4
167.07001	0.4
177.05424	0.7
193.08484	0.3
200.04666	0.5
207.06490	0.3
211.09613	0.8
212.10066	0.3
222.55844	0.3
228.04155	1.6
229.04988	0.7
242.36415	0.3
245.04375	0.9
256.03629	0.3
257.04388	1.0
272.73355	0.3
273.03772	0.8
274.04691	3.5
285.03851	0.9
287.05286	0.4
298.08850	0.3
299.05518	1.1
301.03409	8.4
302.04175	62.1
303.04861	7.0
317.06522	100.0
318.06778	2.6
329.06534	0.6
353.06497	0.4
383.07526	0.4
438.61621	0.3
449.10742	71.8
450.11203	2.3
465.10281	1.2
611.15894	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01855	0.4
57.03421	1.5
61.02918	1.5
68.99769	0.6
69.03400	0.5
70.05649	1.1
71.04984	9.8
71.23362	0.2
73.02893	0.8
73.62444	0.2
75.04458	0.6
83.04965	0.7
85.02892	14.3
87.04441	0.3
91.03932	1.0
95.04939	0.4
97.02872	0.9
98.21446	0.3
99.04491	0.2
102.43649	0.2
109.02869	0.4
111.00773	0.9
111.04424	0.5
117.80378	0.2
121.02835	0.9
121.38989	0.2
123.04441	0.2
127.03869	0.7
129.05457	4.4
137.02321	3.1
138.65559	0.2
145.04903	0.2
147.06514	1.4
149.02248	0.4
153.01796	3.8
154.30911	0.2
155.04816	0.3
161.06013	0.3
163.03915	0.5
165.01823	1.9
166.02625	0.3
172.05827	0.2
173.05840	0.2
177.05421	0.2
183.02882	1.1
183.04352	0.3
187.03932	0.3
188.25029	0.2
193.89731	0.2
195.02965	0.3
201.05469	1.7
219.03020	0.2
228.04205	0.2
229.04922	4.2
247.06042	1.0
257.04449	2.5
274.04712	0.8
275.05527	0.5
285.03937	0.9
303.04947	100.0
304.05328	2.1
315.05063	0.4
334.09805	0.2
335.61960	0.2
341.06644	0.4
345.06049	0.6
369.05872	0.4
370.37857	0.2
447.08527	0.3
449.10648	0.5
465.10172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
50.83178	0.6
57.03425	1.9
61.02926	1.5
69.03421	4.5
69.95111	3.5
79.01846	1.5
81.03406	2.3
85.02898	15.7
97.02875	3.9
97.03429	0.8
99.04433	0.9
101.57069	0.8
103.03958	0.7
109.02877	2.6
127.03889	2.6
130.13295	0.7
135.04398	2.4
137.02333	11.8
145.04956	1.9
153.01808	1.7
161.02399	1.6
163.03922	1.8
165.01820	2.7
167.03305	0.9
171.02841	1.2
177.01849	1.4
179.03384	1.0
183.02919	2.3
187.03906	1.0
189.01886	0.7
189.05475	0.8
191.03407	0.8
195.02888	4.8
217.04948	2.7
229.04903	1.9
241.05017	1.1
243.02983	0.9
243.06427	1.3
249.49376	0.8
255.06450	1.0
259.06003	2.9
261.03958	2.0
271.06000	3.0
272.06769	4.6
283.05939	3.0
286.04721	2.3
287.05469	34.5
297.07593	2.0
299.05478	45.0
300.06256	24.6
301.07065	2.0
303.04974	15.7
311.05469	22.1
313.07019	9.3
323.05383	1.6
324.06375	1.3
325.07022	7.1
327.04984	2.3
329.06540	100.0
330.06802	2.6
337.07239	1.2
339.05005	1.1
339.08627	10.2
341.06589	3.6
349.07166	0.8
353.06534	21.7
353.10754	1.4
359.07553	3.6
365.06519	1.7
367.08096	2.9
371.07675	1.6
377.06500	1.0
383.07565	7.2
395.07651	7.4
413.08670	14.1
431.09720	17.0
437.86032	0.8
448.19275	0.8
449.10779	73.3
450.11246	1.9
491.11496	4.1
611.15924	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	611.1597
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
51.68828	1.5
55.99007	1.7
57.03423	2.1
58.85033	1.8
61.02895	1.7
71.05721	5.2
73.98557	1.8
81.03416	3.2
82.83228	1.8
85.02885	7.9
103.03918	3.5
107.04982	3.0
109.02885	3.6
135.04381	9.0
137.02324	30.7
146.07588	1.7
151.03859	2.7
157.93553	2.0
159.04370	3.0
161.02309	5.2
163.04024	1.7
165.01845	2.0
176.00996	2.1
177.01755	2.4
177.05466	4.1
179.03307	3.3
187.03844	2.1
189.01802	6.8
191.03371	6.1
195.02834	8.5
201.01578	1.8
201.05441	2.2
203.03415	5.6
205.04991	2.5
207.02866	8.0
208.03505	2.3
215.03378	3.2
217.04858	3.0
219.02872	8.6
221.04459	3.5
229.04950	6.1
233.04462	4.6
244.84947	1.9
247.06071	2.9
276.92523	1.9
283.05975	4.0
284.06778	5.2
285.04016	2.7
295.06046	6.7
296.06754	3.2
297.07394	5.7
299.05557	16.6
300.06149	2.4
307.06018	1.9
310.04712	18.5
311.05441	76.8
312.06137	7.1
313.07019	10.4
321.07300	2.9
323.05450	47.5
323.08847	2.1
324.06265	14.2
325.06982	17.2
329.06525	14.7
334.08154	2.1
335.05472	7.1
337.07065	26.3
338.07703	11.4
339.04816	3.4
339.08551	5.1
341.06506	100.0
342.06857	3.5
345.07532	2.6
349.07007	10.6
350.07629	1.9
351.04761	3.0
351.08508	13.5
353.06509	66.1
355.08087	3.0
361.07098	3.3
363.08618	12.0
365.06531	31.8
366.06808	2.4
367.08041	22.4
371.07684	21.6
373.06958	3.2
377.06412	23.7
379.07956	8.2
381.09622	11.6
383.07645	5.1
389.06326	6.0
391.08096	11.3
395.07599	53.4
396.07629	2.9
401.06195	4.3
403.08151	2.2
405.09485	2.5
407.07581	31.9
408.07974	2.5
409.08939	2.3
413.08160	3.0
419.07501	26.0
425.08588	42.0
431.08707	5.8
437.08527	20.5
443.09720	37.4
449.09167	4.1
455.09720	22.0
461.09592	4.0
473.10760	77.2
479.09811	5.8
491.11630	13.4
497.10767	25.8
503.09180	4.0
515.11737	10.2
521.10425	4.5
527.11786	18.4
539.11792	23.6
545.12659	5.1
557.12714	21.4
575.14001	21.2
593.15265	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	609.4509
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03945	4.9
55.05507	21.1
65.72658	3.7
67.05500	48.1
69.07052	16.3
69.30216	43.9
79.05488	33.7
81.07053	45.6
83.04970	3.8
83.08623	6.8
91.05485	38.4
93.07029	44.8
95.04985	5.6
95.08613	31.7
97.06564	5.3
104.11999	4.3
104.24678	4.8
105.07049	35.1
107.08567	22.8
109.10159	17.9
109.49494	3.7
116.34924	3.8
117.07024	11.9
119.08562	29.4
119.15268	3.6
121.10121	18.3
123.11662	5.5
129.07005	12.3
130.96036	3.9
131.08525	23.0
133.10187	19.7
135.11719	7.6
141.06960	6.7
143.08542	13.9
145.10092	23.2
147.11649	12.5
149.09639	5.0
149.63548	4.3
151.70648	4.1
155.08588	7.8
157.10077	13.1
159.11684	9.6
161.13226	5.0
163.11168	4.7
169.10149	8.2
171.11671	9.9
173.13321	5.6
181.10118	9.3
183.11638	9.3
197.13200	12.9
208.77324	3.9
209.13132	6.4
211.14787	5.2
223.14850	4.0
223.33376	4.4
247.20763	4.4
257.18958	9.2
275.20071	18.4
339.41293	4.0
359.21988	4.2
385.95871	4.1
394.43933	3.9
399.64746	4.4
475.41333	3.9
517.40112	7.6
535.41858	5.7
591.43909	6.6
609.45172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.60106	0.4
55.01877	2.0
55.05509	13.8
57.03427	4.4
57.07075	2.6
59.04990	0.8
65.03936	1.6
67.05501	26.9
69.03423	0.5
69.07065	14.0
71.04988	1.2
71.08613	0.4
75.37228	0.4
79.05486	16.9
81.07050	26.3
82.07362	0.4
83.04980	1.4
83.08614	7.7
85.06531	1.1
91.05473	16.3
92.87157	0.4
93.07040	19.2
95.04963	2.0
95.08598	21.7
97.06519	2.2
97.10164	3.6
99.08121	0.6
103.05466	0.7
105.07024	16.0
107.08585	11.9
109.06525	1.1
109.10150	9.4
111.08079	1.3
111.11749	0.7
115.05453	1.5
115.90800	0.4
116.06248	0.6
117.07004	9.7
119.08572	15.5
121.10130	8.0
123.08060	1.3
123.11707	2.8
125.09622	1.2
128.06219	2.8
129.05539	0.5
129.06996	11.7
130.07816	1.0
131.08557	16.1
133.10117	11.3
135.11676	4.9
137.09567	0.5
137.13275	1.1
139.11255	0.6
141.06978	6.7
142.07755	3.5
143.08542	14.9
144.09373	0.6
145.06462	0.9
145.10110	13.4
147.11682	7.3
147.12759	0.5
149.13283	2.3
153.07010	1.6
154.07773	1.6
155.08543	13.3
156.09363	2.9
157.10123	15.8
158.10869	0.5
159.11678	10.5
161.13234	4.4
163.11128	0.5
163.14810	1.3
165.07033	1.6
165.12729	0.4
165.44456	0.5
166.07761	0.8
167.08534	6.2
168.09358	2.2
169.10117	16.5
170.10910	1.3
171.11685	15.1
171.13132	0.9
173.13232	6.6
175.14790	2.5
177.16393	0.8
179.08574	1.8
179.14325	0.6
180.09370	1.0
181.10114	10.3
182.10924	1.5
183.10019	0.8
183.11678	17.7
184.12408	1.0
185.11644	0.8
185.13239	9.4
187.14807	4.4
189.16399	1.4
191.08568	0.6
193.10144	3.5
194.10921	1.1
195.11693	11.8
196.12450	1.1
197.13239	13.0
199.11221	0.5
199.13144	0.6
199.14809	7.1
201.16388	1.9
203.17987	0.7
205.10106	1.0
207.11726	4.1
208.12410	0.6
209.13249	8.2
209.15068	0.7
210.14102	0.7
211.14801	8.3
211.16689	0.6
213.13045	0.5
213.14673	0.7
213.16466	4.8
215.17921	1.5
219.11760	1.5
220.12468	0.6
221.13292	3.0
222.14069	0.4
223.14790	7.5
224.15514	0.8
225.16382	6.1
227.18059	3.4
229.19542	0.5
231.11806	0.5
233.13315	1.4
233.19041	0.6
235.14847	2.9
236.15536	0.5
237.16360	4.2
239.17986	3.5
241.15828	0.5
241.17699	0.9
241.19675	1.3
245.18761	0.4
247.14815	0.9
249.16489	2.0
251.17972	3.3
253.19569	1.7
255.21388	0.5
257.19098	1.0
261.16437	0.5
263.17990	1.5
265.19519	2.0
267.21204	0.9
269.18787	0.7
277.19498	1.4
279.21146	1.3
281.18982	0.8
281.22363	0.5
283.20523	1.1
283.23578	0.4
285.21951	0.8
291.20923	0.5
293.22540	0.7
295.20639	0.7
297.18799	0.4
297.22095	0.8
299.20029	0.8
299.23700	0.6
305.22467	0.5
307.20667	1.2
309.22134	1.2
311.23599	0.9
313.21625	0.6
319.24136	0.6
321.22198	1.7
323.23486	1.9
325.21768	0.9
325.25278	0.9
327.23270	0.9
335.23691	1.5
337.21658	0.5
337.25333	1.7
339.23135	0.9
341.24649	0.8
347.23798	0.8
349.25336	1.5
351.23126	0.6
351.26801	2.7
353.24625	0.8
355.26410	0.9
363.26938	1.3
365.24576	0.8
365.28482	2.3
367.26273	0.6
369.27985	0.8
375.26688	0.4
377.28534	1.2
379.25989	0.9
379.30115	1.1
381.27890	0.9
383.29895	1.0
389.28128	0.5
391.29962	1.0
393.27121	0.7
393.31714	1.2
395.29437	1.4
407.28784	0.7
409.30978	0.9
411.28091	0.5
417.31686	0.5
419.28894	0.7
421.30939	0.6
423.32690	1.0
425.30374	0.7
431.32971	0.6
435.32703	0.8
447.32629	2.1
449.33914	0.6
459.31381	0.6
461.33905	1.5
483.35049	0.6
487.34436	0.6
495.35413	0.4
499.39941	2.1
507.34741	0.5
513.35657	0.6
515.37152	0.7
517.40411	16.0
521.36261	0.6
525.35962	0.9
527.37567	0.6
535.41534	8.1
539.37396	1.7
540.37775	1.1
549.24585	0.5
553.41962	1.3
555.41992	1.1
565.42444	0.8
573.43024	1.8
591.44000	15.7
592.44202	0.6
609.25818	2.6
609.45081	100.0
610.45361	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14258	0.6
53.03938	1.2
55.01867	1.6
55.05256	1.1
55.05507	15.7
57.03436	3.8
57.07072	2.4
57.83698	0.6
59.04993	0.9
65.03928	1.1
67.05501	23.9
69.07064	15.3
71.04982	1.1
77.03905	0.7
79.05483	17.8
81.07053	26.3
83.04971	1.2
83.08605	7.2
85.06521	1.0
91.05471	15.6
93.07032	16.8
95.04961	2.4
95.08594	19.8
97.06544	2.5
97.10156	4.6
98.21554	0.9
103.05494	1.2
105.07024	14.3
107.08592	10.3
109.06537	1.0
109.10154	9.7
111.08080	1.3
115.05421	1.6
117.07011	9.7
118.63420	0.5
119.08572	14.1
121.10137	7.4
123.08078	0.8
123.11728	2.7
125.09645	2.1
125.67004	0.6
128.06200	3.2
129.06987	12.1
130.07808	1.0
131.08553	15.4
131.09499	0.9
133.10115	11.3
133.11069	0.8
135.11707	5.5
137.13249	1.3
139.11208	0.9
141.06970	6.7
142.07782	3.4
143.08545	17.1
143.27333	0.7
144.09352	0.9
145.10107	14.2
147.11674	6.0
149.13261	3.0
153.07010	1.7
154.07747	1.5
155.08533	12.9
156.09315	2.6
157.10120	16.5
158.10919	0.6
159.11674	10.7
161.13231	4.2
163.14943	0.7
165.07024	0.8
166.07796	1.2
167.08591	7.4
168.09337	2.0
169.10104	21.4
171.11661	12.7
171.13124	0.8
173.13231	7.2
173.14447	0.6
175.14812	2.6
179.08621	1.9
181.10110	9.8
182.10931	2.0
183.11685	15.9
184.12489	1.3
185.13249	9.2
187.14790	3.8
189.16403	1.8
193.10126	3.9
194.10895	1.2
195.11679	10.9
196.12512	1.1
197.13237	13.8
199.13217	1.3
199.14821	6.8
201.16403	1.9
205.10138	1.5
206.10985	0.6
207.11713	4.2
209.13245	9.9
211.14821	9.0
213.14661	1.1
213.16411	4.7
215.17941	0.7
219.11610	1.4
221.13097	3.3
223.14793	7.0
225.16386	5.6
227.18060	4.6
233.13271	1.7
233.18997	0.9
235.14867	2.9
237.16356	4.5
239.17986	3.9
241.19586	2.1
247.14793	1.6
249.16425	2.1
251.17967	3.1
253.19543	1.9
255.17371	0.8
255.21404	1.0
257.18900	0.8
263.17923	1.3
265.19543	2.2
267.21100	0.7
269.22723	0.8
277.19446	1.1
279.21158	1.9
293.22849	0.7
295.97186	0.6
297.18692	0.7
297.22067	1.0
307.20413	1.2
309.22205	1.1
311.20148	0.8
311.23676	1.1
321.21991	1.3
323.23660	1.8
325.21774	0.8
325.25342	1.3
327.23322	1.1
335.23599	1.4
337.25284	1.2
339.22980	0.9
349.25394	1.6
351.23059	1.0
351.26990	2.4
355.26266	1.0
363.26682	1.0
365.24481	1.1
365.28326	1.5
367.26172	1.2
377.28165	1.1
379.30005	1.5
391.30164	1.4
393.31781	1.5
395.29459	1.0
405.31519	1.8
407.29611	0.8
409.31058	1.2
421.30377	1.0
429.31189	0.8
433.30399	1.1
435.32602	0.8
447.32834	1.9
449.34213	1.4
461.33826	1.0
499.39529	2.5
503.35632	0.6
511.34711	0.8
517.40442	16.6
521.35992	1.5
535.41602	7.6
539.37323	1.8
553.43109	1.3
555.42084	1.0
573.43024	2.7
591.44043	17.5
592.45660	0.7
609.45099	100.0
610.45502	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4121
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
55.05103	0.9
56.76234	0.8
58.60995	0.9
61.08791	1.0
67.05498	1.5
69.25280	3.5
69.25700	8.5
69.86397	1.0
78.47102	0.9
79.05487	2.7
81.07045	1.1
85.06564	0.9
91.05483	1.6
93.07016	1.7
93.70628	0.9
95.04983	1.1
98.21462	1.7
101.79257	0.8
105.07042	1.9
145.10295	1.0
216.31970	1.0
275.20078	1.7
293.82162	1.0
315.19385	3.2
402.73071	0.9
591.40094	25.8
609.41199	100.0
610.41669	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	609.2702
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
55.05504	2.6
67.05502	9.0
69.07069	4.1
69.70083	1.9
69.70504	3.5
77.18327	1.0
79.05483	7.7
79.72388	0.7
81.07056	9.0
83.08614	1.5
84.04401	0.8
89.41954	0.8
91.05472	7.4
93.07034	8.4
95.04974	1.3
95.08591	6.8
97.06517	1.2
99.34455	0.8
105.07015	5.7
107.04916	0.9
107.08585	4.8
109.10149	1.6
114.90999	0.7
117.07016	3.4
119.08586	3.7
121.10150	3.0
128.06137	1.2
129.07024	2.2
131.08514	4.3
133.10153	2.8
135.11685	2.0
142.07784	1.0
143.08543	1.7
145.10094	5.9
147.11696	3.3
155.08583	1.7
157.10130	2.4
158.26408	0.8
159.11700	3.2
161.13251	1.2
169.10104	1.8
171.11720	1.7
173.13248	1.4
177.23770	0.9
181.10153	1.1
183.11749	2.2
185.13347	2.0
195.11598	1.0
197.13287	1.3
211.14955	1.0
239.17952	0.8
257.19128	3.1
274.06186	0.9
275.19965	4.2
303.45618	0.9
305.99191	0.8
331.22812	1.4
335.25919	2.0
343.75290	0.8
388.17099	1.0
389.17279	0.8
391.18970	2.4
402.18634	1.2
403.19269	1.8
404.19980	1.2
405.20660	2.1
407.22379	2.1
415.19318	1.4
417.16492	1.6
419.22250	2.6
420.23196	1.4
430.17496	1.5
431.18292	1.5
432.18884	1.2
433.19894	6.1
434.20782	1.3
443.18799	1.4
444.19299	1.2
445.20361	3.2
446.21127	3.2
447.22003	4.2
448.22769	1.8
458.20972	5.8
459.21445	4.7
460.22632	3.5
461.19632	1.4
463.21164	1.2
473.23331	1.3
475.21155	1.8
476.21582	1.5
477.22937	1.7
503.24399	1.4
517.40436	1.1
518.23322	2.7
519.23767	9.5
521.24359	3.3
531.23615	1.1
532.24957	1.1
549.24500	5.1
581.26703	1.5
591.26074	11.0
591.43829	1.3
609.26886	100.0
609.44336	17.0
610.26727	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.27
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05494	3.3
57.03429	0.8
57.07065	1.8
57.42263	0.8
59.35405	0.8
67.05499	8.8
69.07069	3.9
71.04946	0.8
71.21069	2.0
79.05484	5.7
81.07040	7.6
83.04956	0.7
83.08601	1.6
91.05466	5.8
91.05917	0.7
91.80193	0.8
91.81339	0.9
92.00841	0.8
93.07020	7.1
95.04947	1.3
95.08597	5.1
97.06497	1.8
105.07033	4.7
107.04931	1.1
107.08587	3.4
109.06510	0.8
109.10133	3.5
117.07008	2.0
119.08589	4.2
121.10132	2.8
129.06995	2.2
131.08591	4.2
133.10152	3.1
133.36353	0.8
135.11650	1.7
143.08551	2.5
145.10124	4.2
147.11697	2.0
149.09642	1.3
155.08548	1.4
157.10110	2.9
159.11681	3.8
161.13229	0.9
169.10135	1.9
171.11624	1.1
173.13332	1.0
183.11737	1.1
185.13220	1.2
195.11746	1.2
197.13120	0.9
239.17961	1.7
257.19128	2.4
275.20081	3.5
303.97830	0.9
365.18155	0.8
415.19043	1.4
417.21124	1.0
429.20755	3.4
430.21591	1.1
431.18213	1.4
433.24066	2.2
443.22467	1.6
444.23111	2.3
445.23914	1.9
447.22256	1.7
452.80072	0.9
459.21027	4.5
460.22400	3.1
461.23492	3.2
462.20117	1.1
468.37479	2.4
472.22803	2.2
473.23911	1.3
476.22409	2.2
477.23062	2.2
485.23080	1.7
487.24823	3.5
503.24536	1.7
517.39948	1.8
519.23871	3.1
521.21777	3.0
525.67047	1.1
531.23895	23.2
532.24170	1.5
549.24963	11.9
591.25922	2.3
609.26984	100.0
609.44025	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	609.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31387	0.6
55.01874	0.6
55.05518	0.7
56.96559	1.2
57.03416	0.6
69.03429	0.7
71.04984	2.8
71.18016	1.1
71.61633	0.5
81.03410	0.7
85.02896	3.8
91.05481	1.0
97.02882	0.6
98.97626	0.6
105.07009	1.4
106.94401	0.6
107.08636	0.8
109.10132	0.8
116.40504	0.6
116.98607	0.8
119.08637	0.8
129.05502	0.9
153.01805	4.9
167.07115	0.9
175.03804	0.8
190.11192	0.7
234.08752	0.8
257.85516	0.7
280.14279	3.9
367.11664	1.8
379.11649	1.2
381.13040	0.8
382.14020	1.6
383.14679	0.9
389.79169	0.6
394.13797	2.1
397.12567	4.8
411.14398	0.7
412.14767	7.7
413.16028	1.5
435.41064	0.6
485.93848	0.6
487.90125	0.7
559.27875	2.7
579.21844	1.7
591.31403	0.7
609.23041	100.0
610.23035	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	609.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33208	0.3
69.03410	0.4
70.31174	0.8
71.04978	0.7
72.00258	0.2
79.05495	0.3
81.03370	0.3
85.02895	1.2
119.88258	0.2
153.01839	0.3
168.31187	0.3
175.03700	0.4
176.04573	0.3
177.05174	0.3
189.05249	0.4
273.41187	0.3
279.04260	0.3
301.07031	8.5
349.10211	0.4
363.11975	1.0
364.12750	0.5
367.11530	1.2
379.11749	1.5
381.13049	1.0
382.13852	2.2
383.14545	0.8
393.12939	0.4
394.13757	2.4
397.12564	4.4
398.13193	0.5
411.14218	1.0
412.14883	7.0
413.15628	1.3
456.71033	0.3
561.20966	0.6
579.22101	0.9
609.23029	100.0
610.23364	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	607.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	0.4
58.99826	0.4
66.12002	0.3
67.05459	0.5
69.07029	0.6
71.59567	0.5
77.00900	4.5
79.05427	1.0
81.07003	1.0
83.08578	0.5
85.37801	0.4
86.70812	0.4
91.05432	0.6
93.06998	0.7
95.01934	3.5
95.08584	0.6
97.10128	0.5
100.02439	0.4
104.10681	0.4
105.06953	0.8
107.08526	0.5
109.10108	0.4
115.27868	0.3
117.06986	0.4
121.10096	0.5
131.01935	0.4
131.08481	0.5
133.10057	0.6
140.03111	0.3
145.10069	0.7
150.04939	0.3
150.19894	0.4
155.05440	0.4
159.04909	0.4
159.11642	0.4
167.05602	0.3
169.07092	0.7
171.04941	0.8
173.06596	0.9
182.04123	0.5
183.08585	0.4
185.06569	0.4
187.08141	2.4
188.05215	0.4
195.08731	0.7
196.05643	0.6
197.10156	0.4
199.08145	0.9
201.09703	3.0
203.09218	0.8
205.09097	0.7
207.05014	2.7
207.08588	0.5
209.06627	0.4
209.10291	0.7
210.07268	0.4
213.09630	1.7
215.09338	0.5
215.11195	1.6
219.10652	2.4
221.06528	1.3
223.11752	0.9
225.05980	1.3
225.09712	0.6
227.11200	1.1
229.12894	0.9
235.11685	0.4
237.13324	1.4
239.07632	1.1
239.11311	0.8
241.12762	1.9
243.14426	1.0
244.08534	0.3
249.13356	0.5
251.11229	1.0
253.12987	0.3
255.14377	3.8
263.11179	0.7
264.12051	2.1
265.12790	1.1
269.12354	0.9
269.15921	0.7
271.15533	0.5
273.16898	1.1
275.14752	0.6
277.12830	1.5
277.16394	0.6
281.12305	0.8
282.13174	2.0
283.13858	1.7
285.16791	0.5
289.16397	3.0
291.14743	0.7
291.18015	7.4
291.20923	0.3
295.13910	1.0
295.17313	0.3
297.16943	1.0
299.72058	0.3
303.18121	0.7
307.17450	0.4
309.15564	0.4
309.19031	6.8
313.16367	1.8
314.19485	0.4
315.17935	11.3
327.20096	0.5
332.20544	0.8
333.19052	100.0
334.19254	3.1
338.19647	0.4
346.07416	0.4
351.20102	9.8
356.16211	0.7
356.20651	13.5
357.20923	0.7
374.22046	0.6
507.58640	0.4
589.26044	0.4
607.38348	87.0
608.38696	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05498	5.1
55.17428	0.4
57.03413	1.2
63.02382	0.4
67.05501	8.3
69.07058	3.4
69.29287	2.5
69.29709	2.9
69.72618	0.5
79.05484	5.5
81.06635	0.8
81.07051	7.4
83.04985	0.6
83.08601	1.8
85.06556	0.6
85.73100	0.5
91.05470	5.3
93.07038	4.0
95.04948	1.3
95.08609	6.7
97.06504	0.5
97.10172	0.8
98.20784	0.9
105.04514	0.5
105.07026	5.1
107.08588	3.7
107.75073	0.5
109.10168	2.9
115.05405	0.6
117.06984	2.9
119.08572	4.2
121.10128	2.5
123.11698	0.9
128.06187	1.0
129.06989	2.3
131.08530	3.8
133.10107	3.1
135.11629	0.9
141.06979	1.1
143.08591	3.2
145.10136	4.0
147.11662	1.5
149.13229	0.8
153.06970	0.9
154.07724	0.6
155.08498	3.4
156.09282	0.6
157.10114	3.2
159.11664	2.8
165.07062	0.8
167.08539	2.1
168.09395	0.7
169.10081	4.5
171.11646	3.6
173.13181	1.3
179.08522	1.4
180.59096	0.5
181.10092	4.0
183.11670	4.5
185.13239	1.3
187.14842	0.8
193.10129	2.2
195.11671	4.4
197.13243	2.6
199.14822	1.4
205.10196	0.7
207.11687	1.8
209.13206	3.7
211.14836	1.9
213.16322	1.0
219.11607	0.8
220.12411	0.6
221.13239	1.9
223.14793	1.9
225.16385	1.4
227.17961	0.9
233.13132	0.7
235.14742	1.2
237.16342	1.1
239.18126	0.6
245.13333	0.5
245.95044	0.5
247.14873	0.7
249.16277	0.9
251.17972	0.5
263.17917	1.0
275.20233	0.6
283.20496	0.5
347.23761	0.6
349.25174	1.0
377.28748	0.5
515.38654	3.2
533.39722	1.8
551.40228	1.5
589.42352	2.5
607.37067	100.0
608.38031	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	607.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01860	5.2
55.05502	22.4
55.70470	2.6
57.03423	4.7
65.03950	4.1
67.05498	67.7
69.03423	18.8
69.07059	22.3
71.04989	9.8
72.82261	2.2
79.05482	55.7
81.03412	65.7
81.07048	100.0
82.67205	2.0
83.04975	15.8
83.08623	14.5
85.02903	9.0
85.06533	4.2
91.05466	41.1
91.05997	3.1
93.07034	55.4
95.04964	15.4
95.08598	23.6
97.02906	9.6
97.06508	13.3
99.04457	6.0
100.30832	2.1
105.07023	22.9
107.04958	5.9
107.08576	36.6
109.02869	13.6
109.06534	5.9
109.10161	5.7
111.04420	10.6
111.08099	6.4
115.05473	2.2
117.06998	13.3
119.08593	14.5
121.06499	6.3
121.10130	20.5
123.08038	2.5
123.11715	7.4
127.03902	10.3
129.07013	6.2
131.08534	16.8
133.06491	3.5
133.10085	12.5
135.08047	3.4
135.11656	13.1
145.06615	3.0
145.10124	4.8
147.11732	9.1
149.13248	26.1
151.11229	2.7
155.08484	2.9
157.10179	4.0
159.11713	14.8
169.10162	2.8
173.04388	2.4
177.12804	7.7
183.06532	3.3
183.11740	3.0
183.13661	2.3
189.12766	2.6
195.13800	21.0
213.14799	5.7
269.17465	11.0
275.43652	2.3
297.17111	2.8
303.15891	3.8
321.17010	6.1
339.18069	16.1
359.18274	2.4
377.19412	2.3
395.20529	15.3
445.29538	5.1
463.30319	13.5
554.93396	2.4
589.33405	3.7
607.34723	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.48270	0.3
56.38794	0.3
71.32665	0.8
75.49473	0.3
76.74334	0.4
86.11768	0.3
92.42253	0.4
115.05560	0.4
127.37335	0.3
141.05589	0.4
215.75060	0.4
324.27890	0.3
389.17886	0.4
401.18243	0.5
402.18460	0.7
403.19183	1.7
404.19833	0.8
405.20898	0.8
407.10352	0.4
415.19556	0.6
416.20056	0.7
417.21088	3.0
418.21652	1.0
419.22104	2.1
430.17679	0.9
431.17920	3.9
432.19254	1.1
433.23929	5.5
443.00259	0.4
445.19757	6.6
446.20856	2.8
447.21707	1.8
459.21072	1.9
460.22577	6.6
461.23367	6.2
473.23474	1.9
474.23569	0.7
477.23071	0.4
487.24869	1.2
489.22855	0.5
491.24969	0.4
505.22440	0.8
519.24353	0.4
519.27753	0.5
547.27045	29.2
548.27106	1.4
575.26624	0.5
579.29663	0.9
607.29108	100.0
608.29352	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2898
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.18607	0.2
50.63386	0.3
54.71332	0.2
70.90163	0.5
80.96870	0.2
83.19487	0.2
94.07813	0.2
96.23798	0.3
211.12074	0.2
233.10864	0.2
249.07130	0.2
377.18079	0.2
387.15765	0.3
388.16827	0.6
389.17529	1.0
390.18481	0.4
401.17514	0.8
402.18195	1.1
403.19196	2.7
404.19772	1.3
405.20599	1.8
406.21057	0.3
415.19312	0.8
416.19962	0.8
417.16550	0.9
417.21381	3.6
418.21597	2.2
419.22253	3.4
429.16986	0.7
430.17529	0.8
430.22070	0.6
431.18121	7.4
432.18680	1.9
432.24088	0.5
433.24069	5.9
434.24643	1.3
443.18274	0.4
444.18906	0.4
445.19702	8.2
446.20660	4.3
447.21622	4.1
458.20822	0.4
459.21509	4.1
460.22385	12.3
461.23361	10.9
462.23340	0.8
472.22949	0.3
473.23584	2.8
474.24121	1.4
477.22733	0.6
487.25107	1.3
488.25494	0.4
489.22995	0.3
491.20361	0.4
491.25134	0.5
492.25040	0.7
504.24808	0.5
505.21417	2.4
506.26831	0.6
515.24658	0.7
518.23175	0.6
519.24036	1.8
520.24890	0.3
532.24475	1.0
533.25366	0.6
547.26965	26.1
548.27319	1.7
575.26758	1.2
578.25330	0.5
579.29974	0.6
607.29022	100.0
608.28986	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	607.2544
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
57.67711	0.3
59.20717	0.3
61.13711	0.3
67.05444	0.5
69.43188	2.6
69.43590	0.6
81.06974	0.8
83.04900	0.3
91.05389	0.6
93.06971	0.5
105.06927	0.9
105.13808	0.3
117.06960	0.5
119.08464	0.5
284.11572	0.3
337.11673	0.4
373.14178	0.7
375.16068	1.2
387.16296	0.8
388.16794	1.5
389.17703	4.0
390.18430	1.5
391.19180	1.0
401.17786	0.8
402.14520	1.1
402.18475	1.3
403.19348	7.1
404.20023	2.9
405.20883	2.8
407.21793	0.5
415.14893	0.6
415.19675	0.6
416.16083	1.2
416.20529	0.8
417.16013	4.9
417.20950	3.1
418.17355	1.2
418.21478	1.3
419.22504	7.9
420.23227	0.5
429.16214	0.6
429.21225	0.8
430.17883	1.3
430.22675	0.6
431.18204	10.8
432.19031	4.2
433.20160	3.3
443.18622	0.7
444.19559	0.7
445.20129	8.3
446.20953	8.4
447.21677	12.2
448.22342	1.0
459.17963	2.9
459.22513	1.4
460.17899	1.7
461.19269	1.8
462.24582	0.6
463.24744	1.3
473.19022	1.0
473.23410	1.1
474.20395	11.6
475.21066	13.2
477.22717	1.2
486.20181	0.5
487.21484	3.4
488.21899	0.7
490.23654	1.7
491.20560	1.5
491.24695	1.2
501.22836	1.5
504.21475	0.4
506.23065	0.8
518.23279	0.6
519.24011	15.0
532.21118	0.8
547.23328	74.9
548.23712	2.3
561.24976	1.7
579.25946	5.6
589.24280	1.7
607.25433	100.0
608.25922	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	607.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60919	0.5
69.55135	3.9
72.08138	0.4
77.00806	0.5
77.69753	0.5
79.24871	0.4
84.08154	0.9
85.02899	0.6
86.09686	0.7
87.03596	0.5
87.78991	0.5
91.05486	0.9
112.11243	0.6
119.04945	0.5
147.04498	0.7
149.96654	0.5
153.01813	4.5
167.33258	0.4
175.03934	0.8
176.04474	0.7
189.05243	3.1
203.06873	0.7
205.04723	3.5
219.06281	8.4
233.07932	1.2
234.08611	53.9
235.09377	1.7
247.09489	1.2
249.07382	1.7
252.09706	0.6
275.11346	0.5
365.11823	0.6
379.13693	0.5
431.17029	0.8
461.17795	56.2
462.18570	0.7
607.23535	100.0
608.23547	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2542
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.43654	0.3
59.18651	0.3
70.72919	1.0
126.22292	0.4
139.90813	0.3
140.79222	0.4
149.04816	0.4
249.51401	0.4
374.15253	0.4
375.16019	0.8
387.15976	1.1
388.17026	0.9
389.17529	2.2
390.18427	0.9
391.19299	0.8
401.17386	0.6
402.19000	0.6
403.14685	0.4
403.19458	3.2
404.19943	1.8
404.66794	0.4
405.20630	2.9
416.16180	1.4
417.16345	4.1
417.21408	1.2
418.17316	0.8
418.22113	0.7
419.22421	5.5
420.22964	1.4
430.17664	0.7
431.18347	7.3
432.19208	3.4
433.20047	3.3
435.21881	0.5
443.18365	0.6
444.19089	0.4
445.20135	4.3
446.20981	7.2
447.21606	8.4
448.22733	0.7
459.17285	0.8
459.22159	1.4
460.22992	0.5
461.19669	1.5
463.25424	0.6
473.19122	1.0
474.20331	5.0
475.21036	4.8
477.23499	0.6
478.23376	0.9
487.21646	1.8
488.21954	0.6
491.20007	2.8
501.23013	0.9
505.22525	0.8
506.23224	0.6
519.24078	16.3
520.24451	1.2
547.23395	12.3
548.23993	0.5
551.26428	0.4
579.25977	5.4
582.82971	0.4
589.25146	0.7
607.25439	100.0
608.25720	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	605.275
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65516	2.7
92.59200	0.8
133.71916	0.9
415.18964	4.9
416.19873	2.4
428.19586	1.9
429.20761	8.7
430.21542	5.1
431.22543	1.2
443.22504	4.4
444.23682	6.4
445.24393	4.7
450.31607	1.0
457.19452	1.6
458.25085	1.7
459.25815	2.9
472.22699	3.5
473.23538	5.7
474.24124	3.4
485.23282	4.3
486.23950	2.1
487.24963	22.1
488.25473	2.6
503.24542	2.0
517.25787	3.0
545.25507	16.4
546.26428	4.3
599.92505	1.0
605.27515	100.0
606.27747	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	603.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.66802	0.8
54.67114	0.8
55.40702	0.8
56.59033	0.9
69.03419	7.5
70.06575	1.2
70.75607	2.6
73.84577	0.9
79.01848	2.5
84.08138	7.0
85.02906	1.4
87.19544	1.1
91.05447	3.1
97.02884	20.0
115.03934	4.8
117.03319	2.2
119.04952	5.3
125.02338	3.6
128.10699	1.8
131.04886	3.0
143.03398	6.5
145.02814	8.1
147.04399	8.0
149.05989	1.8
151.03906	1.7
153.01814	100.0
159.04437	4.2
163.03922	3.6
165.05453	1.1
175.03925	8.9
177.05460	12.4
178.05797	1.7
179.03383	6.5
191.03380	1.0
193.04936	2.3
205.04941	11.9
207.02872	13.3
207.06471	8.6
208.06889	1.7
219.02864	1.4
221.04466	4.0
231.02879	2.7
234.11418	1.9
237.03989	1.7
237.65739	1.1
249.03893	7.6
264.12292	2.5
267.04944	26.4
273.03900	1.3
285.06021	7.0
297.04022	1.1
319.04468	21.4
331.04291	1.1
343.04407	2.3
378.23962	1.9
394.55096	0.9
408.24747	1.1
441.98242	1.0
503.62222	1.2
528.26648	1.7
529.26953	1.7
584.29626	10.1
585.29871	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	602.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20232	1.4
57.03436	2.9
58.50415	1.8
60.04509	1.7
69.03436	3.4
69.55804	13.0
71.04972	8.4
73.02943	1.8
75.04481	4.2
79.01852	2.7
79.05483	4.6
84.08130	7.4
85.02901	21.6
89.22549	1.5
91.05483	10.0
93.03434	2.0
95.04965	4.0
97.02876	12.3
99.04450	7.8
103.05464	4.9
105.07039	15.5
106.04171	4.2
107.04954	7.9
108.05811	1.5
109.02850	2.5
109.06546	2.0
114.02832	1.4
115.05463	3.7
117.03367	2.2
118.04179	3.7
119.04935	10.6
121.05722	1.4
121.06467	8.2
123.04448	2.7
123.07995	2.3
124.05228	1.9
125.02368	3.4
125.06004	3.1
127.03868	4.6
128.10704	2.1
129.05479	6.4
131.04922	3.8
133.06490	15.5
135.08034	5.9
137.06018	2.8
143.03381	6.1
144.03760	2.7
145.02802	10.5
146.08116	12.2
147.04378	4.9
147.06514	2.5
149.05995	10.5
150.06757	6.9
151.07550	3.1
153.01823	100.0
154.02162	30.6
159.04407	3.6
160.04790	2.1
161.05995	6.4
163.03853	2.6
163.07507	12.1
164.09189	17.5
165.09081	8.2
167.07014	20.8
175.03906	9.2
177.05444	20.0
179.07018	6.4
181.08589	13.6
190.75543	1.7
191.03348	2.3
192.03790	2.3
193.08595	46.0
193.10272	3.3
195.10176	10.8
205.05011	7.7
206.05295	2.9
207.02873	6.9
207.06525	12.2
208.03270	5.2
209.08101	34.0
211.09650	69.9
213.11223	5.1
221.04500	3.4
221.08049	4.0
222.04684	1.7
223.09698	1.9
233.04425	9.2
234.04716	9.9
234.11136	3.6
237.03900	2.7
246.01691	1.7
247.09673	2.1
249.04010	2.9
250.04285	2.2
251.05553	2.1
261.04022	2.9
262.04172	3.4
263.09128	2.1
264.12366	5.4
279.05035	6.5
280.05341	4.1
287.05469	15.8
288.05853	17.1
289.10602	2.9
297.06125	5.1
298.06415	3.9
300.05893	2.5
307.11792	2.7
314.83151	1.8
315.07040	3.4
316.07422	4.1
325.12808	3.4
348.33710	1.7
378.24231	2.4
528.26843	3.5
567.26782	1.8
584.29559	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01865	4.4
55.05502	26.8
57.07052	17.1
59.05002	8.0
65.03915	5.6
67.05492	30.2
69.03419	11.7
69.07057	19.0
69.30424	11.6
69.30845	31.6
71.39456	3.1
77.03909	3.8
79.05478	33.5
79.42977	3.8
81.03392	6.3
81.07047	62.6
83.04964	19.1
83.08611	18.7
83.95702	4.4
85.06503	5.3
87.04456	8.6
89.06022	16.1
90.10620	3.5
91.05470	63.7
93.06468	5.5
93.07033	79.3
95.04972	32.1
95.08593	43.8
97.06501	17.5
97.10175	7.1
97.81500	3.8
98.20708	7.2
103.05461	6.5
104.36055	3.7
105.07018	100.0
107.04912	5.1
107.08581	81.8
109.06511	19.3
109.10136	40.8
111.08073	5.7
113.09596	5.4
115.05442	10.5
117.07016	29.7
119.08575	89.3
121.06495	12.8
121.10130	83.6
123.08066	17.0
123.11707	11.2
125.05956	5.1
125.09597	19.5
128.06215	13.3
129.07010	24.0
129.13467	3.6
130.07755	10.4
131.08556	54.8
131.54825	4.3
133.06477	5.0
133.08588	11.1
133.10123	67.7
134.08957	5.2
135.08026	21.1
135.11679	24.7
137.09604	9.6
139.11166	6.2
141.06961	11.8
142.07753	26.6
143.08553	52.0
144.09303	16.0
145.06487	4.1
145.10118	78.1
146.10544	5.0
147.08035	11.7
147.11664	26.4
149.09619	24.9
149.13254	4.3
151.07541	5.3
154.07803	4.7
155.08583	23.8
155.10596	4.0
156.09315	22.5
157.10104	60.6
158.10818	11.5
159.08046	24.4
159.11655	40.3
161.09625	21.8
161.13272	8.8
163.11186	13.6
165.07002	6.7
165.09085	9.7
167.08629	8.3
167.10684	62.2
168.09312	10.9
169.10103	31.7
170.10883	10.0
171.11664	43.7
173.09583	10.5
173.13248	30.5
175.11165	12.8
175.14793	16.0
179.08527	11.5
180.09258	5.0
181.10080	17.2
182.10887	12.6
183.11684	29.9
185.13287	23.0
187.11130	7.9
187.14815	17.7
189.12674	7.0
191.14227	5.7
192.09369	7.7
193.10129	15.0
194.10870	9.0
194.49767	4.2
195.11688	22.8
196.12418	11.4
197.13268	30.1
199.11049	4.4
199.14803	21.3
201.12752	5.5
201.16335	11.6
203.14241	5.9
207.11772	22.3
207.13623	6.7
208.12424	8.8
209.13243	26.9
209.15059	6.3
210.13881	5.4
211.14764	17.9
213.12726	7.1
213.16248	6.8
219.11598	5.8
220.12320	5.6
221.13237	12.7
221.15370	33.0
222.13951	4.7
223.14799	17.9
225.12712	4.5
225.16370	8.6
233.13332	5.9
233.15366	25.4
235.14664	8.8
237.16443	10.8
241.15828	4.7
243.11568	6.2
245.13188	6.8
247.14735	9.4
249.16425	7.9
251.17958	9.0
253.19502	5.4
261.16397	11.0
265.19571	9.3
269.19110	8.9
273.16113	4.5
273.18701	7.4
275.17676	7.1
276.34897	4.1
283.20612	7.0
287.19955	5.2
289.19156	4.4
386.30051	4.3
446.50873	3.8
565.39935	5.5
583.41034	13.3
601.42480	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.9
53.87258	3.1
55.05509	21.3
57.07059	11.3
59.04983	4.1
65.03947	5.6
67.05502	35.5
69.03408	13.6
69.07047	22.2
71.04964	5.2
78.04131	3.7
79.05482	31.5
81.03435	4.3
81.07059	51.3
83.04982	22.3
83.08613	11.9
85.06528	5.3
87.74615	3.4
91.05474	60.0
93.07037	65.3
95.04951	27.8
95.08609	46.3
97.06522	13.7
97.10135	6.3
103.05460	4.5
105.07023	89.1
107.08588	59.2
109.06506	19.0
109.10133	29.0
111.08089	4.1
115.05452	7.8
117.07047	22.8
119.08575	100.0
120.08859	4.7
121.06486	15.1
121.10141	81.5
123.08055	18.5
123.11705	9.5
125.06030	4.3
125.09601	9.6
128.06197	14.7
129.07019	17.6
130.07776	8.5
131.08571	43.2
132.40460	3.4
133.06496	8.6
133.10106	57.0
135.08043	21.4
135.11656	16.5
137.09586	10.1
137.13222	3.5
141.06943	10.2
142.07784	21.8
143.08568	41.5
144.09306	12.4
145.10118	70.1
147.08035	19.4
147.11705	23.8
149.09601	22.7
149.13235	4.6
151.07539	10.2
153.06931	4.4
153.97661	3.4
155.08575	15.8
155.10599	4.6
156.09302	15.3
157.10127	50.9
158.10730	7.8
159.08076	13.4
159.11702	31.9
161.09625	13.3
161.13269	10.5
163.11182	13.2
165.06969	9.4
165.09068	28.8
166.09393	3.7
167.08511	9.4
167.10661	43.5
168.09288	7.5
169.10104	23.2
170.10777	9.3
171.11697	34.8
172.12192	4.7
173.09592	11.9
173.13231	21.1
175.11162	12.4
175.14841	16.9
177.12801	4.0
179.08624	5.9
180.09242	3.4
181.10109	17.1
181.12265	10.1
182.10825	7.8
183.11703	19.1
184.12186	6.4
185.09456	3.8
185.13277	17.2
187.11148	7.7
187.14775	10.0
189.12759	8.2
191.14297	8.7
192.09225	5.6
193.10086	8.5
194.10976	8.4
195.11667	25.1
196.12396	7.5
197.13242	26.2
198.13649	4.3
199.14795	10.1
201.12859	3.7
201.16373	3.9
203.14308	14.1
205.15836	4.2
206.10829	4.1
207.11678	14.2
207.13596	6.1
208.12511	7.8
208.14340	4.1
209.13292	22.3
210.13849	6.1
211.14798	14.4
213.12744	6.7
213.16341	4.5
215.10654	3.5
215.14275	4.3
217.10114	4.8
217.15807	5.3
219.11752	8.3
221.13168	13.4
221.15265	62.8
222.13747	4.1
222.15700	7.8
223.14818	15.2
225.12729	3.6
225.16339	8.6
227.14404	6.6
233.13237	7.8
233.15393	22.8
235.14812	12.5
237.16493	5.1
239.17873	6.2
245.13235	5.0
247.14667	5.0
247.16994	5.7
249.16376	9.6
250.16774	5.0
251.17818	4.2
259.14679	5.1
259.37357	4.1
261.16263	6.2
263.17941	6.3
265.19809	4.6
269.19052	7.0
273.16132	4.6
274.19293	5.9
277.19394	4.9
281.19000	6.4
283.20477	6.2
295.20410	4.4
299.19968	5.6
348.24988	3.4
349.25348	5.2
351.22870	4.8
352.23975	7.2
353.24240	12.1
365.24576	4.9
366.25009	5.7
473.34451	4.4
521.35962	7.5
583.41510	11.0
601.42529	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.0
55.01849	2.7
55.05259	2.9
55.05508	23.3
57.07054	9.7
59.04993	5.6
65.03944	3.5
67.05497	33.5
69.03419	17.3
69.07056	22.8
71.04955	3.9
71.33644	4.1
79.05486	40.5
80.56898	2.3
81.07050	43.3
83.04615	2.2
83.04971	22.7
83.08612	17.0
85.06525	5.3
85.87742	2.4
87.04455	5.8
87.49676	2.2
88.46088	2.3
89.69566	2.1
91.05475	63.4
93.06467	4.7
93.07034	82.2
95.04965	28.0
95.08595	47.1
97.06534	14.7
99.08070	2.8
103.05456	6.4
104.06237	2.7
105.04488	3.2
105.07019	99.1
106.07296	2.9
107.04939	6.5
107.07851	5.1
107.08582	83.9
108.08916	2.6
109.06516	20.2
109.10143	39.4
109.71046	2.5
111.08094	5.1
113.09634	4.8
115.05424	6.8
116.06219	4.5
117.06998	22.4
119.08570	96.3
120.08961	2.5
121.06502	13.0
121.10132	100.0
123.08064	15.3
123.11673	11.3
125.06015	4.1
125.09640	20.1
128.06210	17.9
129.06995	26.9
130.07747	9.7
131.08553	53.5
133.06514	5.0
133.10121	62.8
135.08047	16.2
135.11681	27.2
137.09599	8.4
139.11169	8.5
141.06953	13.7
142.07776	25.1
143.08568	40.8
144.09300	10.9
145.06433	5.0
145.10106	83.1
146.10477	3.7
147.08031	11.6
147.11656	25.2
149.09604	23.5
149.13239	5.9
151.07526	5.9
151.11148	5.1
153.07027	3.3
154.07799	3.1
155.08554	21.5
155.10628	6.4
156.09348	22.7
157.10114	64.8
158.10759	8.0
159.08046	21.7
159.11684	40.5
161.09625	16.9
161.13248	10.5
163.11157	10.6
165.06992	8.8
165.09081	8.6
166.07784	6.3
167.08505	8.2
167.10652	62.2
168.09325	5.6
169.10123	34.3
170.10889	9.9
171.11664	43.5
172.12152	4.1
173.09618	9.6
173.11946	2.5
173.13272	26.6
175.11165	13.8
175.14821	14.7
177.12750	3.4
178.07826	3.6
179.08443	11.7
180.09367	6.8
181.10086	20.3
181.12228	5.2
182.10835	11.8
183.11662	27.9
184.12393	5.1
185.09544	4.4
185.13220	17.8
186.13683	4.3
187.11156	5.9
187.14798	14.4
189.12663	6.8
191.14308	10.1
192.09270	5.7
193.10034	13.1
194.10892	9.7
195.11658	24.2
196.12415	7.3
197.09668	3.1
197.13208	25.3
199.11119	4.6
199.14732	15.3
201.12712	6.1
201.16383	5.7
203.14299	5.8
205.10056	5.1
205.15947	3.2
206.10881	5.4
207.11647	16.5
207.13597	4.2
208.12418	9.5
209.13272	23.4
209.15141	4.4
210.13924	4.9
211.11159	5.0
211.14789	14.2
213.12669	5.1
213.16316	5.2
214.44646	2.5
215.14233	4.8
217.10081	3.0
217.15939	6.5
219.11713	6.5
220.12378	7.3
221.13194	15.8
221.15369	22.0
222.13747	3.7
223.11250	3.3
223.14824	15.3
224.15408	3.3
225.12711	3.4
225.16348	10.4
227.14267	4.3
227.17917	2.9
231.11595	4.2
233.13188	8.8
233.15344	36.9
234.15977	3.5
235.14674	11.4
237.16325	11.0
239.14224	3.2
239.17941	4.2
245.13293	5.4
246.14139	2.7
247.14711	7.9
247.16998	2.9
249.16267	11.6
251.17957	6.4
255.17380	7.3
256.17822	2.7
259.14722	5.9
261.16299	5.2
262.17004	3.5
263.17862	6.9
265.19495	6.7
267.17429	3.0
269.19006	10.8
271.14636	2.7
273.16122	2.8
273.18652	4.5
275.17758	3.9
277.19537	4.8
283.20483	7.2
285.18631	4.8
287.20236	4.9
289.19443	3.2
293.19122	3.8
295.20535	4.0
297.21979	2.7
299.20279	5.5
301.18997	3.1
307.20340	3.3
335.23752	3.3
349.25226	3.4
367.26144	3.0
391.26288	2.8
565.40039	5.6
581.11157	2.6
583.41614	11.6
601.42157	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	601.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
52.20962	0.4
55.01854	1.5
57.03428	0.4
69.03420	12.7
70.05689	1.5
71.04984	0.6
79.01852	3.0
81.03413	0.5
83.00228	0.4
84.06565	0.3
85.02893	3.4
91.05461	1.6
97.02879	23.4
103.05470	1.3
107.01305	1.4
107.04919	0.5
109.02869	1.2
110.03653	0.9
114.42191	0.4
115.03913	7.8
119.02571	0.4
119.04922	3.5
121.10207	0.5
123.04412	0.8
125.02328	3.2
127.03902	1.9
131.04907	5.2
133.02835	1.2
137.02306	1.0
139.03943	0.4
139.71838	0.3
143.03383	7.2
147.03218	0.5
147.04391	6.7
151.03894	2.4
153.01811	100.0
154.02200	0.4
159.04404	8.9
163.03896	3.8
165.05441	2.8
167.03342	0.4
167.07031	1.3
171.02832	2.7
175.03888	4.6
177.05441	4.1
179.03378	13.3
181.01247	0.8
187.03915	0.7
191.03413	2.0
193.04944	7.0
195.02844	0.5
200.04691	0.7
203.03381	3.0
205.04944	26.5
207.02867	27.8
209.04393	1.6
221.04414	11.2
223.02315	1.6
228.04131	2.5
229.04965	1.1
231.02875	8.6
237.03896	2.3
243.17233	0.4
245.04448	1.3
249.03903	15.1
256.03653	0.8
257.04358	0.8
267.04962	44.7
268.05478	0.5
273.03983	0.8
274.04620	3.5
284.81924	0.4
285.06204	5.5
301.03430	10.1
302.04169	37.7
317.06519	63.5
318.06900	0.8
601.27783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1186
Annotation	Orientin 2''-O-gallate
Peak:m/z	Relative Intensity
51.02364	0.5
51.91480	0.5
52.44767	0.5
55.01849	0.7
55.45992	0.5
69.03425	2.9
69.07062	0.6
70.30702	1.9
75.77242	0.5
79.01517	0.5
79.01852	4.4
80.96684	0.6
81.03411	0.7
81.37074	0.5
83.04980	1.3
83.94304	0.5
90.17422	0.5
93.03374	0.6
97.02873	1.2
107.01298	0.9
111.04421	2.1
121.02860	0.7
124.83326	0.5
125.02337	3.5
137.02327	7.8
137.03302	1.0
143.03377	7.0
149.02303	0.6
151.03880	0.8
153.01822	100.0
161.02280	1.2
163.03909	1.0
167.03438	0.9
177.01842	1.2
179.03415	1.1
181.01346	0.8
181.38339	0.6
183.03012	0.6
189.01920	0.7
191.03375	0.9
195.02911	1.0
197.05968	0.9
198.39372	0.6
200.04819	0.6
201.05380	1.0
207.02817	2.4
219.06610	1.6
221.04352	1.1
223.02428	0.9
225.05505	0.9
243.06589	0.6
245.04427	0.8
253.04939	0.9
263.05539	1.3
271.05914	1.3
281.03918	0.8
281.06607	7.5
299.04886	4.9
299.07986	2.0
302.04214	2.1
303.04938	3.6
315.04953	11.9
316.05704	1.9
327.04977	25.3
328.05341	0.5
329.06644	0.7
341.06567	2.3
345.06046	29.3
357.06113	1.1
367.08054	1.7
369.06070	5.2
371.07626	0.6
395.07553	4.5
413.08609	8.0
431.09756	8.9
449.10809	4.3
479.05914	1.0
497.07156	3.2
583.10443	1.1
601.11786	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	601.1187
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01612	0.3
51.02374	0.6
51.68684	0.2
54.03834	0.3
55.01841	0.2
57.03411	0.3
57.39896	0.2
65.33820	0.3
69.03416	1.1
70.59431	0.5
79.01849	3.8
81.03418	0.6
85.02906	2.1
91.05482	0.3
96.74870	0.3
97.02883	12.3
97.03510	0.6
99.04448	0.9
103.05423	0.6
107.01302	0.7
109.02869	1.7
111.00793	0.4
115.05396	0.4
119.04953	0.3
119.99841	0.3
121.02844	1.3
121.81507	0.3
122.44048	0.3
125.02345	4.1
127.03910	2.5
131.04909	2.7
143.03395	6.7
145.05013	0.7
147.04401	1.1
153.01819	100.0
153.02766	3.6
154.02170	0.9
159.04411	5.2
161.05945	0.6
163.03879	2.5
165.01845	0.8
165.05539	0.5
171.02884	2.0
171.04404	0.9
175.03914	1.1
177.05472	1.8
179.03391	1.4
179.07008	0.3
181.01317	1.2
183.02919	1.0
187.03925	1.6
191.03369	2.8
193.05022	0.6
195.02904	0.7
197.00810	0.7
199.03859	0.5
203.03410	0.4
205.04947	8.7
207.02892	9.1
209.04489	0.7
211.02435	0.6
213.05515	0.4
215.03358	1.7
217.04967	0.6
219.02904	0.7
221.04407	4.4
223.02353	1.3
223.06013	0.3
231.06516	0.3
233.04427	13.2
235.02371	1.2
237.03918	3.4
243.02809	0.6
249.03915	3.5
251.05542	1.3
258.05334	0.4
261.03900	4.4
279.04968	7.0
287.05484	22.8
293.06793	0.3
297.06030	7.5
299.05460	0.6
306.37784	0.3
311.05380	0.8
313.76532	0.3
315.07101	5.9
315.10681	0.3
329.06586	1.3
353.06573	0.6
395.07587	0.7
532.22510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
55.01859	0.4
57.03416	0.3
60.32227	0.3
69.03428	1.1
69.52735	2.4
71.04983	0.3
79.01849	3.4
79.05511	0.4
80.25531	0.3
81.03413	0.8
83.91873	0.3
84.80163	0.3
85.02892	2.5
91.05443	0.6
95.04971	0.4
97.02884	12.3
99.04447	0.9
102.20947	0.3
103.05470	0.7
105.07034	0.7
107.01301	0.9
107.04945	0.5
109.02866	1.1
112.11274	0.5
119.04945	0.5
121.02859	1.7
125.02345	3.2
127.03928	1.6
131.04935	2.4
133.06476	0.9
135.04427	0.4
137.02281	0.5
143.03378	6.4
145.04926	0.7
147.04410	1.2
149.05960	0.5
151.03891	0.4
153.01816	100.0
154.02113	0.5
159.04398	4.6
161.06024	0.3
163.03900	1.9
163.07593	0.6
165.01839	0.9
165.05470	0.4
167.07042	0.4
171.02867	1.9
171.04276	0.5
175.03906	1.3
177.05434	2.0
179.03392	1.5
179.06972	0.8
181.01314	1.3
183.02927	0.6
187.03906	1.8
191.03394	2.5
193.05008	0.7
193.08621	1.4
194.09084	0.4
195.02859	0.8
195.10141	0.5
197.00797	0.8
199.03870	0.3
203.03358	0.5
205.04933	8.8
207.02876	8.0
209.04495	0.9
211.02370	0.7
211.09605	2.5
213.05428	0.4
215.03346	1.5
217.04965	0.9
219.02876	0.6
221.04436	4.1
223.02364	1.1
223.06136	0.5
233.02100	0.6
233.04430	12.9
235.02383	0.9
237.03920	2.6
243.02928	0.4
249.03914	3.0
249.11256	0.4
250.11516	0.5
251.05467	0.9
261.03922	3.5
279.04980	6.6
287.05466	24.6
297.06024	7.8
299.05450	1.8
300.06302	1.0
300.21396	0.4
302.00217	0.3
311.05481	1.2
315.07043	4.9
329.06512	3.9
329.10019	0.6
353.06494	0.9
431.09393	0.8
449.10764	0.4
583.10803	0.5
601.11835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05502	4.8
57.07082	1.2
58.99554	1.7
64.20794	1.1
67.05494	8.6
69.07046	3.9
69.26395	0.8
70.50237	1.5
70.50637	2.2
71.04996	1.4
74.00661	1.4
76.02219	1.8
79.05481	8.8
80.05013	1.0
81.03403	1.3
81.07049	19.8
83.04983	1.8
83.06131	1.4
83.08627	1.8
84.04472	4.4
85.02891	1.5
91.05466	8.3
93.07033	9.2
94.06532	1.0
95.04960	2.1
95.08028	1.3
95.08596	10.8
97.02865	1.7
97.06496	1.3
97.10107	1.2
99.01413	3.1
99.02655	1.0
100.02197	5.6
105.07030	6.9
106.06515	1.3
107.04914	1.1
107.08574	6.9
108.08088	1.3
109.06509	4.6
109.10146	4.7
110.09689	1.4
110.67444	1.1
111.02683	1.1
111.08022	1.2
112.02187	7.1
113.04200	1.1
114.03756	7.1
116.01694	1.5
119.08575	7.2
120.08111	1.3
120.08931	1.0
121.06457	1.7
121.10139	4.5
122.09623	1.1
123.07962	1.1
123.11668	1.6
126.03690	2.7
130.04922	1.4
131.08553	3.3
133.10123	4.6
135.11705	2.0
137.04228	1.0
138.03696	3.2
139.05823	1.1
140.05283	7.2
145.06062	1.5
145.10069	2.5
147.11673	3.6
147.53709	1.0
149.13235	1.5
152.05272	1.9
153.01842	1.8
154.06848	2.0
163.11133	1.6
163.14813	1.3
168.08427	18.3
173.13261	1.6
185.03822	2.5
187.05322	1.0
191.14334	1.1
202.04195	1.2
209.15276	2.6
216.05554	2.1
231.04303	4.5
236.14555	1.7
255.07924	2.8
264.14145	6.7
269.09488	1.7
270.10272	5.9
271.11102	2.1
275.20071	6.9
281.14417	1.9
282.15195	29.0
308.09164	1.8
333.18695	3.1
350.21445	8.1
351.19910	2.7
368.22559	10.1
384.17157	13.4
385.17920	2.9
427.24661	1.0
453.24155	100.0
454.24609	2.2
525.26416	6.2
538.37286	1.1
544.31567	1.0
582.28497	1.7
600.29266	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	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54079	0.3
56.96553	0.4
57.03415	0.4
69.03412	1.2
70.06577	0.4
71.59688	0.3
79.01833	0.9
81.03409	0.7
81.99828	0.3
84.08143	0.5
85.02906	2.5
85.65343	0.3
86.09669	0.5
91.05460	1.3
95.04929	0.3
97.02867	0.9
105.07011	0.6
107.04950	3.8
108.05271	1.1
109.02855	0.9
112.11213	0.5
115.05432	1.0
116.06221	0.5
117.07018	1.1
119.04924	1.0
119.08605	0.4
121.06497	0.3
125.02321	0.5
127.03922	0.8
128.06209	2.0
129.07002	4.9
131.04958	0.4
131.08566	6.3
132.05702	0.3
133.06453	1.2
133.10129	0.5
134.09645	0.3
141.06972	2.4
142.05157	0.3
142.07739	0.6
143.03362	0.8
143.08531	1.2
144.05690	2.5
145.02837	0.8
145.04962	0.5
145.06473	2.0
146.07220	0.9
147.04390	0.7
153.01816	6.3
153.02982	0.6
153.06992	0.5
154.02176	0.3
156.05682	0.6
157.06465	3.0
158.07294	0.4
159.08043	11.5
161.05963	0.6
161.09598	3.0
162.07700	0.4
167.06973	2.4
169.07671	0.7
170.07234	1.9
171.08022	2.1
172.05133	0.8
173.05994	1.5
174.06728	0.7
175.03851	0.4
175.07532	1.0
177.05502	1.0
178.06116	0.4
180.08664	0.8
185.06010	0.3
186.06659	0.3
187.07527	8.7
188.08310	0.7
189.05460	0.8
189.09084	3.3
190.06276	0.7
191.06996	0.6
192.07710	0.5
193.08572	0.5
198.06787	0.7
199.07526	1.0
201.05510	0.4
202.06070	0.4
203.07034	1.3
204.07777	4.8
205.08575	0.9
206.09425	0.7
207.06448	0.3
216.07755	2.1
217.08513	0.4
218.09337	0.5
219.10181	2.2
221.11598	1.4
226.98657	0.5
231.10136	2.4
234.08904	0.6
237.11098	0.8
249.11203	100.0
250.11565	1.0
267.12259	1.1
287.05438	0.5
303.01202	0.4
329.06491	0.3
396.11578	0.4
408.11789	0.5
420.11026	0.3
432.13675	0.4
546.91412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41594	0.3
69.03379	0.9
70.06576	0.6
70.78527	0.5
70.78881	0.7
79.01852	0.6
81.03401	1.0
84.08113	0.9
85.02885	1.8
87.99016	0.4
91.05465	1.4
97.02874	1.0
100.23379	0.3
105.07038	0.5
107.04956	0.8
110.07123	0.3
112.11208	0.5
115.05450	1.3
116.06245	0.4
117.07004	0.9
119.04926	0.7
121.06490	0.5
127.03905	0.8
128.06227	1.6
129.06987	5.4
131.04958	0.5
131.08563	5.8
133.06485	0.8
141.06995	1.8
142.07770	0.5
143.08545	1.2
144.05684	2.1
145.06468	1.5
146.07243	0.8
147.04385	0.5
153.01804	2.9
153.07001	0.6
157.06479	2.8
158.07187	0.4
159.08043	13.0
161.05980	0.8
161.09595	2.5
167.06982	0.9
169.06410	0.8
169.07681	0.7
170.07256	1.9
171.08018	2.5
172.05205	1.1
173.05988	1.1
174.06740	0.7
175.07433	0.6
177.05482	0.6
187.05840	0.7
187.07512	8.9
188.08330	0.6
189.05435	0.7
189.09100	4.2
191.07056	0.6
193.08601	0.4
198.06664	0.8
199.07509	1.2
201.05510	0.7
203.07056	1.3
204.07819	5.4
205.08598	0.7
206.09349	0.5
216.07785	1.4
218.09283	0.4
219.10132	1.6
221.08112	0.7
221.11783	1.1
231.10139	3.2
234.09023	0.4
237.11119	0.9
249.11200	100.0
250.11496	1.1
267.12320	2.5
354.55392	0.3
411.16220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.7
55.05498	3.1
57.07072	6.7
59.04992	2.6
65.03910	0.8
67.05499	5.7
69.03417	7.2
69.07028	2.6
69.95444	0.9
69.95834	1.7
79.05478	7.3
81.07047	10.8
83.04971	2.7
83.08575	0.8
85.06538	3.0
89.46968	0.5
90.16882	0.5
91.05467	12.2
92.06254	0.7
92.55468	0.5
92.70390	0.6
93.06483	1.2
93.07030	19.2
95.04966	5.7
95.08064	0.7
95.08595	12.2
97.06516	2.7
97.10166	0.7
99.56603	0.5
103.05476	0.9
105.07016	23.0
107.04910	1.1
107.07861	0.8
107.08575	13.1
109.05879	0.6
109.06510	6.5
109.10143	4.9
111.08047	1.4
115.05369	1.3
116.06121	0.6
117.07005	3.9
119.08566	25.4
121.06485	4.7
121.09338	0.8
121.10132	12.4
122.07231	0.9
123.07191	0.7
123.08048	13.0
123.11692	1.3
125.05943	2.5
128.06245	2.7
129.07013	4.2
130.07759	1.8
131.08540	9.0
132.09299	0.8
133.06421	1.8
133.10120	12.1
135.07103	0.9
135.08041	10.5
135.11673	3.5
137.06004	1.3
137.09598	12.6
139.07478	2.1
141.06929	2.4
142.07765	6.1
143.08534	9.7
144.09291	2.4
145.06416	1.2
145.09032	1.1
145.10100	14.0
146.07307	0.8
147.08025	22.7
147.11644	3.2
148.08812	0.8
149.09579	3.4
151.07530	10.1
153.06979	1.2
154.07635	0.7
155.08527	4.7
156.09328	3.9
157.10107	16.3
158.10872	0.9
159.08046	3.2
159.11671	10.1
160.12355	0.9
161.09579	4.7
161.13240	5.6
163.11162	7.9
165.09093	53.3
166.07648	0.7
167.08505	1.3
167.10648	0.9
168.09293	2.5
169.10106	7.1
170.10921	2.9
171.07964	1.3
171.11665	9.2
173.09610	3.5
173.13197	2.6
175.11189	3.1
175.14799	1.9
177.09090	2.3
177.12744	0.9
179.08517	1.4
179.10646	0.7
180.09265	1.1
181.10190	4.2
181.12189	6.6
182.10847	2.0
183.11676	10.1
184.12244	0.8
185.09544	1.4
185.13237	7.4
187.11140	2.5
187.14737	1.6
188.12018	0.8
189.12688	4.4
191.10710	3.6
191.14220	1.3
193.10123	2.4
193.12132	0.9
194.10904	1.5
195.11665	4.3
195.13646	1.1
196.12471	1.7
197.13206	3.9
198.14034	0.8
199.11113	2.5
199.14769	1.8
201.12787	1.6
202.89023	0.6
203.14282	19.4
203.82758	0.6
206.10912	0.8
207.11644	2.1
207.13766	6.1
208.12430	0.9
209.13260	4.6
209.15140	1.0
211.11124	1.4
211.14789	5.3
213.12709	2.3
215.14200	1.0
219.11731	0.8
221.15331	100.0
222.15735	0.9
223.11282	0.9
223.14752	1.9
225.12724	1.4
225.16234	1.3
227.14236	1.9
227.17830	1.0
229.12291	1.3
229.15807	1.3
231.11670	0.8
231.13841	1.8
233.13168	1.8
233.15361	1.9
235.14714	1.6
235.16925	1.0
237.12686	0.7
237.16405	0.8
239.14177	1.2
239.17883	0.7
245.13190	0.7
247.14471	0.9
247.16920	16.5
249.16377	0.9
251.18031	1.0
263.18036	1.1
265.15768	0.9
265.19562	0.7
269.19055	1.3
271.17014	1.3
281.18903	1.6
285.18649	1.2
286.19373	0.8
287.20096	5.7
291.17505	0.8
293.18735	1.0
299.20105	5.8
301.21637	2.1
307.20544	0.8
309.18552	0.9
309.22064	0.6
311.20032	1.3
313.21677	1.7
325.21567	1.7
327.23203	2.2
335.20016	0.7
365.24689	3.8
373.25217	0.8
391.26169	9.4
413.27109	1.3
419.29425	2.1
427.28387	6.4
441.30048	0.7
453.29849	1.7
507.34729	6.9
519.34711	2.6
581.39600	1.9
590.80762	0.6
599.40881	52.3
600.41205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28607	1.3
53.03939	1.8
55.05500	10.6
56.70889	1.2
57.07074	7.4
59.04992	3.7
65.03925	2.5
65.80577	1.6
66.93021	1.5
67.05493	13.8
69.03415	11.4
69.07055	9.5
71.04961	1.5
74.11492	1.3
76.55442	1.3
79.05484	15.7
81.07042	21.2
83.04980	13.9
83.08607	6.2
85.06535	6.7
87.04453	2.5
91.05466	24.3
93.07030	34.0
94.53061	1.3
95.04962	14.9
95.08605	17.1
97.06532	7.3
103.05500	2.9
105.07017	42.7
107.04937	2.3
107.08575	34.2
109.06519	11.6
109.10151	11.8
111.08072	2.2
113.09641	2.2
115.05436	3.5
116.06215	1.4
117.07009	11.5
119.08565	38.6
121.06476	10.8
121.10121	34.5
123.08061	16.0
123.11706	4.0
125.05994	3.5
125.09592	9.2
128.06227	6.9
129.06993	12.0
130.07764	3.0
131.08553	23.3
132.09325	1.3
133.06467	4.8
133.10115	26.4
135.08040	17.5
135.11696	6.1
137.05963	2.9
137.09612	9.6
139.07498	2.9
139.11218	2.1
141.07005	4.8
142.07751	16.1
143.08548	26.8
144.09334	9.4
145.06429	1.9
145.10110	28.3
147.08029	16.6
147.11679	6.2
149.09605	16.7
149.13211	2.1
151.07532	15.9
151.11185	1.7
153.06984	2.0
154.07765	2.8
155.08565	9.6
156.09329	11.7
157.10104	33.9
158.10889	3.8
159.08044	13.8
159.11665	19.6
161.09599	11.3
161.13245	5.1
163.11165	8.8
165.06981	3.4
165.09102	23.4
166.07712	1.9
167.08551	6.2
167.10651	16.3
168.09349	5.1
169.10155	16.7
170.10789	6.3
171.08035	2.0
171.11676	20.1
172.08853	2.7
172.12421	2.5
173.09616	8.9
173.13234	11.1
175.11201	5.9
175.14836	3.4
177.09134	3.0
178.07706	1.8
179.08592	5.5
180.09358	4.7
181.10106	9.6
181.12234	5.5
181.57854	1.5
182.10930	5.1
183.08070	1.3
183.11668	18.6
184.12524	3.0
185.09648	4.6
185.13237	9.1
186.10443	2.2
187.11200	5.1
187.14810	2.0
188.11931	1.7
189.12752	7.4
190.13528	1.6
191.14232	3.2
192.09415	2.1
193.10143	9.7
193.12146	1.6
194.10921	5.2
195.11659	14.4
196.12488	2.9
197.09633	1.6
197.13232	16.0
199.11136	5.1
199.14786	6.7
201.12756	3.5
203.14323	7.8
205.10043	2.7
206.10899	2.9
207.11693	10.6
207.13820	11.9
208.12492	5.9
209.09627	2.1
209.13255	13.3
209.15366	4.8
211.11159	4.4
211.14822	5.6
213.12732	2.9
213.16420	1.8
215.14307	4.8
217.10141	2.3
218.10890	1.7
219.11714	4.1
219.13800	1.6
220.12514	3.7
221.13235	10.6
221.15398	47.5
223.11298	1.8
223.14906	7.6
225.12733	4.4
225.16428	3.8
227.14359	4.7
229.12265	1.9
232.12337	2.6
233.13199	5.3
233.15306	38.1
235.14830	5.8
235.16956	1.6
237.14511	2.1
237.16484	4.0
239.14236	2.6
241.15909	2.3
245.13213	2.1
246.13910	1.9
247.14796	5.7
247.16920	3.3
249.16464	3.7
251.14250	3.5
251.17880	1.5
257.13248	1.9
258.14191	2.3
259.14767	3.5
259.17169	2.0
261.16281	2.7
263.17929	4.3
265.15906	1.6
267.17438	1.5
269.19025	1.8
271.14694	2.0
273.16125	2.7
273.18771	2.6
274.16879	1.7
275.14685	1.5
275.17886	2.1
281.18884	9.3
286.19308	3.8
287.20374	2.8
289.19452	2.7
291.17471	3.2
291.20587	1.4
297.18671	1.5
299.20096	6.0
303.20963	1.4
307.20468	1.5
312.20541	1.6
333.22067	1.5
342.84946	1.3
349.21921	1.6
352.23978	2.6
364.24014	4.2
365.24664	3.3
373.25171	4.5
377.24796	3.0
391.26132	4.8
415.28308	2.1
441.29929	2.3
489.33591	3.8
493.33105	2.3
507.34665	88.0
563.38733	1.9
581.39648	6.0
584.29474	1.5
599.40881	100.0
600.41437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01860	1.9
55.05505	8.7
57.07067	8.6
59.04986	4.1
65.03935	2.7
65.35866	1.4
67.05494	17.5
69.03426	10.1
69.07051	9.3
71.04954	1.4
79.05489	17.7
81.07043	23.7
83.04971	13.2
83.08609	8.0
85.06528	8.0
86.09687	2.7
91.05470	26.8
91.06005	2.3
93.07038	32.6
95.04958	15.5
95.08592	16.6
97.06532	4.3
101.50021	1.3
104.10728	11.0
105.07021	46.6
107.08590	31.0
108.96872	1.4
109.06519	11.6
109.10162	11.0
111.08029	2.6
115.05457	2.8
117.07000	11.1
119.08566	44.7
120.26197	1.4
121.06509	12.3
121.10123	35.5
123.08039	16.6
123.11722	3.1
125.05967	1.7
125.09602	7.1
128.06253	8.9
129.06972	13.4
130.07770	5.0
131.08556	26.9
133.06480	5.5
133.10115	23.9
135.08044	14.7
135.11659	9.3
137.05992	1.9
137.09616	9.0
139.07527	2.8
139.11156	2.6
141.06961	7.4
142.07776	12.5
143.08540	26.6
144.09328	10.0
145.06444	2.5
145.10106	35.4
146.07275	1.8
147.08037	16.9
147.11702	7.4
148.08917	1.5
149.09622	14.7
151.07513	13.4
153.07005	3.7
153.09039	2.3
154.07791	1.6
155.08563	10.8
155.10606	1.5
156.09349	12.7
157.10118	32.0
158.10890	3.9
159.08038	11.7
159.11670	19.8
161.09587	12.6
161.13271	4.7
163.11182	8.8
165.06972	4.8
165.09096	25.1
166.07732	1.6
167.08505	6.8
167.10648	17.3
168.09360	5.1
169.10127	21.1
170.10808	7.0
171.11682	20.1
172.12480	1.9
173.09625	8.7
173.13260	11.5
175.11197	7.1
175.14775	2.7
177.09126	2.7
177.12747	2.8
178.07858	1.8
179.08569	6.8
179.10698	1.6
180.09341	4.1
181.10124	10.5
181.12231	3.9
182.10950	4.7
183.11665	18.5
184.12357	2.4
185.09615	4.3
185.13243	11.1
187.11191	5.6
187.14854	4.0
188.11967	1.7
188.62029	1.8
189.12784	8.6
191.08575	1.8
191.14348	5.5
192.09311	3.1
193.10139	12.8
193.11954	2.8
194.10905	4.4
195.11656	14.7
195.13547	2.5
196.12495	2.9
197.09596	2.8
197.13242	17.3
198.13989	1.8
199.11224	4.8
199.14841	4.5
201.12688	2.8
201.16348	1.8
203.14250	11.5
205.10172	3.0
206.10933	3.9
207.11687	10.0
207.13812	12.0
208.12505	4.8
208.14383	2.1
209.09453	1.7
209.13269	15.3
209.15343	4.6
210.10294	2.1
210.14018	2.4
211.11147	2.3
211.14812	6.1
212.11942	1.7
213.12726	3.8
215.14323	3.3
217.10052	1.7
218.10933	2.1
219.11702	4.4
219.13716	2.0
220.12460	3.4
221.13220	10.6
221.15390	43.1
222.13861	1.8
223.11362	1.4
223.14726	9.5
225.12732	4.7
225.16394	4.7
227.14278	1.8
229.15720	1.7
229.75073	1.6
231.11737	1.9
232.12370	2.1
233.13228	5.9
233.15309	33.6
234.14017	3.3
235.14841	7.9
235.16898	2.2
236.15657	2.2
237.12830	1.7
237.14767	2.9
239.14349	2.0
241.15881	2.4
243.11629	1.6
244.12558	2.3
245.13243	4.9
246.14073	1.6
247.14854	4.2
247.17014	2.4
248.15712	1.9
249.16435	4.0
251.14305	3.3
251.18065	3.3
253.15848	2.5
257.15430	1.9
259.14694	2.7
260.15433	1.9
261.12589	1.9
261.16364	2.8
263.18054	3.6
269.18970	2.6
271.14725	1.7
273.16302	3.1
275.17789	1.7
281.19006	9.8
285.18640	2.8
286.19302	5.4
287.20117	3.7
289.19495	2.8
291.17542	2.0
295.20532	2.4
299.20111	5.4
311.20029	1.9
312.20880	2.5
313.21432	2.0
317.19086	2.1
333.22012	1.5
352.24011	1.7
364.23920	3.4
365.25003	3.2
373.25284	6.0
391.26428	4.5
411.27216	1.5
415.28207	2.1
441.29990	2.9
489.33945	6.5
493.33298	4.1
507.34631	77.4
508.34653	2.5
581.39893	6.0
599.40863	100.0
600.41003	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	598.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01872	1.8
55.05508	4.8
57.03432	1.8
61.84000	1.2
69.03410	1.7
70.06558	2.9
70.44747	4.8
71.04975	7.2
78.67316	1.1
79.05488	3.4
83.08591	2.4
84.08132	3.4
85.02900	9.3
86.09697	1.4
89.03916	1.8
91.05481	5.8
93.07066	1.3
95.04960	2.1
97.02885	1.6
98.06100	1.3
100.07599	3.6
100.11234	10.4
103.05453	3.8
105.07011	12.9
107.04933	5.1
109.06527	1.4
109.20677	1.0
111.04425	6.0
112.07576	1.5
112.11240	3.2
114.37115	1.3
117.03387	4.0
118.04142	4.3
119.04925	5.3
121.06535	1.6
123.04367	1.8
123.08089	1.6
124.05193	1.4
128.07063	2.7
129.05457	2.6
129.13834	1.8
131.04935	3.9
133.06483	15.2
135.04422	1.3
135.08040	3.9
137.05936	9.6
145.02812	10.8
146.03204	3.7
147.04375	5.8
149.05946	3.7
150.06686	7.0
151.07515	6.1
153.01854	3.8
161.05960	3.7
163.03851	1.3
163.07498	7.8
165.09109	12.5
167.07031	14.5
175.03967	2.4
177.05437	13.4
178.05827	4.8
179.07013	6.2
181.08508	2.7
182.15361	12.9
190.10735	1.4
191.07013	3.2
193.06825	2.8
193.08580	43.3
194.08932	1.4
195.10115	5.9
207.06575	1.8
209.16498	3.6
210.14905	14.3
211.09624	100.0
212.10052	1.9
213.11174	6.1
226.18944	1.4
228.15988	1.6
234.11194	3.6
235.11633	2.7
287.05463	3.2
288.05698	4.6
289.05920	2.9
290.06406	2.8
336.22809	1.8
337.21307	2.8
354.23657	2.2
355.22238	2.6
422.28275	1.8
439.85349	1.4
453.34192	1.3
471.34955	1.8
580.41058	6.9
581.30347	2.1
581.38647	2.7
598.32562	11.3
598.41681	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	598.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06874	2.7
51.07111	2.0
59.42341	2.3
64.32946	2.8
69.03407	4.8
70.66389	4.6
70.66759	4.9
71.04974	2.0
81.03428	13.4
84.08138	2.5
85.02909	11.5
91.05472	3.3
95.04956	3.2
97.02889	4.6
103.05445	2.8
107.04957	10.9
115.05441	7.5
117.07006	13.8
119.04919	3.5
123.04426	3.5
127.03951	3.5
129.07001	2.8
131.04939	2.8
131.08568	3.8
133.30875	2.8
137.05968	2.7
144.05667	2.3
145.04921	3.5
145.05289	3.7
145.06471	39.5
147.04391	6.4
153.01840	4.9
155.06020	4.3
156.05711	7.1
159.08022	7.1
160.05162	2.4
161.05991	5.7
167.07031	59.1
170.07243	3.1
171.08041	2.1
173.05978	58.0
175.07561	3.0
177.05519	6.1
180.08644	6.3
183.06772	2.5
187.07521	8.6
190.06219	30.5
191.07014	4.2
193.08575	4.4
202.06326	5.1
203.06985	8.5
205.08589	100.0
207.06563	4.7
217.08580	44.4
219.10146	7.7
223.09674	5.0
231.10129	5.4
235.09631	26.7
247.09677	6.7
265.10666	32.9
270.08850	2.1
271.09729	2.6
315.08603	2.7
330.10892	7.9
351.12042	3.0
383.14929	5.9
401.15945	25.2
423.77246	3.4
501.07260	2.5
598.31354	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	597.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01854	1.6
55.05493	3.4
57.03426	1.2
57.07040	0.9
67.05511	4.5
69.03428	8.7
69.07060	4.4
70.00327	3.5
71.04984	2.2
79.05470	7.8
81.03402	4.6
81.07054	13.1
83.04962	3.2
85.02882	2.6
85.06528	1.1
91.05473	8.2
93.07030	11.2
95.04946	3.4
95.08620	4.6
97.02875	3.1
97.06516	2.6
98.21498	0.9
99.04423	2.0
105.07017	13.1
107.04940	6.1
107.07847	1.8
107.08585	31.3
109.02866	5.4
109.06525	5.8
109.10145	6.9
115.05444	1.5
117.06991	3.7
119.08559	6.3
121.06494	5.3
121.10135	19.6
122.07309	6.1
123.08042	3.0
123.11710	1.3
127.03912	4.3
131.08533	3.8
133.10121	100.0
135.08047	11.2
135.11693	6.4
137.09602	60.4
139.07504	1.3
139.11185	1.2
143.08525	1.3
145.10132	7.4
147.11671	4.1
149.09595	7.1
149.13257	9.3
151.07468	1.9
153.12808	1.0
158.10878	1.4
163.11153	18.1
163.14815	2.1
165.12740	1.3
167.10681	6.8
169.08566	11.4
173.09573	1.7
173.13237	5.7
181.12206	7.3
181.69563	0.9
185.11685	1.1
187.05949	2.0
191.10655	11.4
191.14281	62.6
205.07022	1.1
207.00861	1.0
209.11742	12.1
209.15331	3.9
223.81378	0.8
227.12767	32.8
269.13803	1.2
271.13556	0.9
310.25397	1.0
317.13977	1.0
333.13870	0.8
335.14771	2.3
353.15988	5.3
371.16913	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	597.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01863	2.6
55.05499	2.7
55.06252	0.9
57.07040	1.1
59.66343	0.9
67.05480	4.2
69.03421	8.7
69.07045	3.9
71.04964	2.0
71.11079	2.2
71.99210	0.9
75.00874	0.9
79.05482	8.7
81.03412	6.2
81.07042	13.2
83.04960	4.2
85.02873	1.2
85.06534	1.5
87.14767	0.9
90.36111	1.2
91.05474	6.7
93.07026	11.9
94.39925	0.9
94.73753	1.0
95.04941	3.1
95.08585	6.3
97.02886	1.2
97.06525	3.7
99.04444	3.7
105.07013	13.3
106.23666	1.1
107.04948	6.0
107.08582	35.1
108.25816	0.9
109.02859	6.7
109.06498	6.5
109.10151	6.8
111.08085	1.3
113.05994	1.4
115.05469	1.7
116.95042	1.2
117.07004	2.8
119.08548	6.1
121.06502	6.2
121.10125	21.6
122.07246	4.7
123.08037	3.7
127.03917	4.1
129.06937	1.3
131.08565	3.7
133.10114	100.0
134.10419	1.6
135.08031	10.0
135.11667	3.9
137.09598	62.2
139.11145	1.7
145.10117	7.3
147.11679	2.3
149.09589	4.1
149.13231	9.8
151.07486	1.8
151.11151	3.7
153.01820	1.2
158.10872	1.3
163.11159	15.1
163.14803	3.5
167.10724	4.1
169.08585	15.3
173.09534	1.2
173.13260	7.0
181.12244	2.9
191.10677	9.1
191.14284	76.8
209.11703	9.6
209.15308	8.6
213.47359	1.1
227.12744	25.5
250.74625	1.0
269.14020	1.1
332.87106	1.1
335.14728	2.1
353.15918	13.5
371.16922	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	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41548	1.1
53.03930	2.0
55.05508	8.5
57.03442	9.2
57.07062	1.2
67.05505	39.7
68.10014	1.2
69.03414	1.6
69.07063	5.5
71.04987	1.9
71.49026	2.2
79.05489	18.4
81.03416	11.1
81.07057	29.7
83.08615	5.3
84.79243	1.1
85.02924	2.2
91.05470	7.5
93.07048	19.9
95.04990	2.3
95.08600	25.1
98.98462	28.7
99.04440	3.1
105.07047	5.8
107.08601	10.3
109.02880	10.0
109.10162	11.0
116.99527	1.9
117.07008	1.8
119.08576	6.8
121.10146	8.1
123.11738	2.5
129.62617	1.2
131.08583	5.1
133.10110	4.0
135.11694	4.2
145.10109	1.8
147.11694	2.7
149.13280	3.9
155.01051	2.1
159.11714	2.7
161.13338	1.4
163.06003	3.8
173.02150	1.5
173.13454	1.3
212.16335	1.3
243.20996	1.9
261.03693	8.9
261.22147	4.6
261.84512	1.5
283.15411	1.2
289.84637	1.5
317.24600	2.4
319.43527	1.4
335.07419	3.7
335.25784	100.0
336.26016	3.5
466.90161	1.5
551.07770	1.4
583.59015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.3
65.69682	1.2
69.03422	2.5
69.53466	2.9
69.53875	7.1
71.04987	4.2
74.64784	1.2
79.01863	2.2
81.03404	3.8
84.08118	3.2
85.02876	6.2
86.55100	1.3
87.60910	1.1
89.03950	1.2
109.02836	2.1
112.11258	6.7
117.03371	3.5
119.04936	4.8
120.05843	1.3
121.02862	9.8
129.13884	2.3
135.04361	1.4
137.02371	1.7
143.03389	2.4
145.02808	9.6
147.04463	2.1
153.01816	15.9
157.68246	1.1
163.03922	2.7
165.01811	10.2
165.81750	1.3
167.03348	3.0
167.06956	1.5
177.01646	1.4
177.05443	13.5
183.02898	8.0
183.39749	1.5
187.04022	2.1
191.03383	2.2
193.01323	1.9
195.02856	2.0
207.02914	2.3
208.70148	1.6
229.05031	1.9
239.07057	1.8
267.06424	7.7
270.05142	3.1
271.05957	6.1
274.65247	1.4
275.44077	1.2
277.03024	1.2
279.06476	1.8
281.08157	7.5
283.05984	100.0
284.06833	8.0
287.05496	20.2
288.99762	1.6
294.05289	1.9
295.06006	18.5
295.09250	2.0
297.04147	1.3
297.07495	4.4
299.05008	2.0
303.01456	3.1
307.06018	6.2
308.06641	3.3
309.04050	2.4
309.07483	23.4
313.07031	78.5
321.07568	3.5
323.05493	2.1
323.09070	17.1
325.07007	9.4
333.07544	5.8
335.09119	2.5
337.07022	43.9
349.06970	16.2
351.08527	5.6
353.06314	1.5
355.07800	1.6
361.06982	11.8
365.10315	1.9
367.07941	11.8
379.08069	26.5
379.27042	2.9
391.08005	3.7
397.09128	17.3
403.08322	2.2
409.09164	3.7
415.10236	14.9
421.08890	3.3
427.10004	5.8
433.11240	2.4
439.10367	2.3
445.11292	11.9
449.10641	3.0
457.11353	8.4
475.12418	22.2
481.10950	2.6
499.12292	14.3
501.70673	1.7
511.12524	2.1
523.12341	3.6
529.13367	15.8
541.13220	8.9
559.14471	13.1
577.15668	13.7
595.16095	6.0
595.31439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
57.03426	2.1
61.02935	0.3
68.99796	0.5
69.03409	1.4
70.68173	0.4
70.68525	1.1
71.04983	12.1
72.20644	0.3
73.02914	0.3
73.53753	0.3
75.04468	0.4
78.21211	0.3
83.04954	0.6
85.02896	15.6
87.04438	0.5
90.74520	0.3
91.03908	0.3
97.02879	1.3
99.04412	0.3
105.30949	0.3
107.04929	0.4
109.02875	0.5
111.00797	0.5
111.04411	0.5
117.34718	0.3
121.02834	2.1
127.03910	0.8
129.05466	3.7
133.02863	0.5
137.02324	0.4
145.04970	0.8
147.04359	0.6
147.06506	1.0
150.62952	0.3
153.01837	2.6
156.50645	0.3
165.01802	1.7
165.28448	0.3
177.05498	0.4
183.02931	0.8
185.05971	0.4
213.05431	1.0
231.06401	0.7
241.04950	0.9
258.05270	1.0
287.05463	100.0
288.05823	1.5
361.02228	0.3
449.10596	0.3
595.20844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.68011	0.2
55.01870	0.3
57.03434	2.0
59.04976	0.3
61.02924	1.8
68.99796	0.4
69.03420	0.5
70.15321	0.8
71.04990	10.3
71.29746	0.2
73.02906	0.8
75.04457	0.6
77.70819	0.2
81.03388	0.2
83.04973	0.4
85.02898	13.1
87.04446	0.4
91.03944	0.8
95.22564	0.2
97.02882	1.2
105.03392	0.3
109.02853	0.4
111.00816	0.8
111.04485	0.3
114.15714	0.3
121.02856	2.0
127.03835	0.4
129.05470	3.1
133.02844	0.6
137.02327	0.6
145.04887	0.3
147.04370	0.4
147.06503	0.9
151.03871	0.3
153.01825	3.3
157.06462	0.4
165.01825	1.4
183.02867	0.8
185.05888	0.4
205.39796	0.3
213.05490	1.3
231.06549	0.5
241.04971	0.8
258.05222	0.7
259.06073	0.6
287.05475	100.0
288.05795	1.3
299.05420	0.5
313.06915	0.7
329.06525	0.6
343.08115	0.9
353.06549	0.5
356.56061	0.3
427.09970	0.3
449.10791	0.7
463.11932	0.6
595.16663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Apigenin 7,4'-diglucoside
Peak:m/z	Relative Intensity
50.28671	0.9
50.71508	1.0
57.03428	8.9
58.83150	0.9
61.02916	1.6
69.03426	1.6
71.04990	5.6
71.11639	2.5
73.02914	15.5
81.03417	1.0
82.52698	1.0
85.02906	9.9
91.05427	1.1
92.25944	0.9
97.02872	2.5
109.02882	1.7
118.01410	1.0
129.05473	1.8
141.01836	1.2
145.02859	1.2
149.05968	2.1
151.03894	4.8
153.01768	6.3
163.03912	1.8
165.01837	5.3
167.03403	2.5
175.03868	1.9
177.05547	1.4
182.53259	1.0
183.02888	3.9
195.02859	2.2
254.05676	1.1
270.05252	1.2
271.06036	3.7
282.05197	5.2
283.05942	5.7
286.04633	2.3
287.05478	64.7
296.06693	7.9
297.07565	5.1
298.04660	13.9
299.05338	1.7
300.06311	7.2
301.07001	6.3
308.06961	1.2
309.07434	2.9
310.04684	5.6
310.08389	3.3
311.05627	1.2
311.08786	4.8
313.07013	96.8
314.07748	6.7
320.06732	1.8
322.04691	1.5
324.06210	11.0
325.07129	7.4
327.08536	2.4
328.05664	19.2
336.06107	1.3
337.06992	3.1
338.07715	6.1
339.05005	1.8
339.08585	18.8
343.08096	100.0
348.06158	1.9
351.08798	1.8
353.06326	0.8
353.10175	15.8
363.08597	3.3
364.05457	1.8
366.07245	1.6
367.08075	51.3
376.05740	2.6
377.01666	2.4
379.08145	13.3
381.09637	3.3
391.08008	10.0
394.06787	2.7
395.02829	1.4
397.09137	34.4
409.09167	19.7
415.10272	1.1
427.10190	25.7
433.11206	3.0
445.02011	1.2
445.11246	39.1
449.10834	8.3
463.12311	39.3
595.30829	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	595.1651
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
57.03433	5.7
61.00851	1.0
65.88433	1.0
66.83183	0.9
71.04984	31.0
73.02897	2.0
73.67718	0.9
75.04465	1.3
82.14447	1.0
85.02896	28.8
87.04487	1.2
109.02849	1.7
112.11239	1.3
121.02854	2.3
121.40152	1.0
129.05486	6.7
135.04410	2.3
137.02341	4.8
149.02333	1.5
153.01836	2.4
161.02324	2.4
163.03894	2.7
165.01822	8.3
167.03371	3.8
181.04861	1.1
183.02876	6.5
193.92564	1.2
195.02890	1.7
205.04939	1.3
255.06316	1.8
271.06073	1.6
283.05972	24.4
284.06577	1.3
286.04712	2.3
287.05484	8.2
295.05933	4.0
297.07489	8.2
299.05466	94.5
300.06241	11.7
301.07001	1.3
309.07443	4.9
311.05539	16.0
311.08908	2.3
313.07019	15.0
321.07523	3.0
323.05542	2.9
323.09094	2.7
324.06079	2.5
325.03500	1.6
325.06992	23.3
329.06509	100.0
337.06955	9.4
339.08627	18.0
342.84027	1.5
349.07098	6.1
353.06522	50.4
365.06580	13.3
367.08020	6.8
371.19992	1.1
377.06516	11.3
379.08047	3.7
383.07605	32.8
384.07681	1.0
395.07574	23.9
397.09195	3.6
413.08594	23.9
415.10135	6.0
431.09726	46.3
433.11331	2.3
449.10748	55.1
458.50772	1.2
595.16138	1.1
595.31012	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	595.1653
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
54.11526	1.1
55.01865	2.3
56.96539	2.1
57.03426	3.2
60.70450	1.4
61.02918	3.3
69.03429	1.9
81.03407	2.6
85.02899	8.4
88.91046	1.3
91.05477	2.8
93.03401	1.9
97.02908	2.1
98.97574	2.2
103.03929	2.2
107.04930	1.5
109.02858	2.3
111.04436	2.0
112.11226	2.1
117.03397	1.9
119.04928	9.6
121.02858	36.8
127.21000	1.2
135.04413	2.4
137.91611	1.4
145.02821	8.9
147.04410	2.6
153.01767	4.0
161.06023	1.6
163.03902	1.3
169.07141	1.4
175.03966	2.6
177.01900	2.8
177.05507	7.1
179.03381	4.9
187.03918	2.1
189.01842	7.9
189.05388	1.6
190.02596	1.6
191.03365	5.3
191.32198	1.4
194.02130	2.4
195.02905	8.4
201.05498	3.6
203.03419	10.1
205.04985	1.6
207.02879	10.7
208.03682	1.6
215.03377	2.8
217.04866	6.5
219.02924	6.5
221.04440	4.0
225.05704	1.6
227.03369	2.4
229.04971	4.5
229.74886	1.8
231.02820	2.0
233.04433	2.6
237.02779	2.6
243.02867	2.0
245.04449	3.2
247.05986	2.3
255.02843	2.6
257.04523	3.7
261.03867	1.5
263.06973	2.1
267.06537	4.2
268.07263	4.9
271.05295	1.2
277.03308	2.1
279.06601	4.8
280.07230	1.6
281.04456	1.8
281.08057	5.4
283.05981	8.2
284.06818	2.7
285.03854	1.4
291.06537	2.2
293.08206	3.5
294.05188	21.9
295.05984	85.6
296.06699	6.0
297.07489	8.7
305.08011	2.3
307.05972	51.3
307.09509	3.1
308.06760	18.0
309.04382	2.3
309.07608	15.3
313.07019	4.7
317.07974	2.2
319.05981	6.7
319.09387	2.4
320.06726	3.2
321.07547	30.6
322.08435	14.0
323.05594	3.0
323.09189	5.5
325.07025	100.0
329.07776	1.7
333.07584	10.5
335.05444	1.8
335.09100	18.4
336.06189	3.6
336.09991	1.8
337.07040	56.7
339.08484	2.4
345.07629	2.5
346.08160	2.3
347.09167	10.7
349.07028	31.8
349.10840	2.6
351.04788	1.6
351.08582	22.2
353.06586	1.8
355.08105	17.5
357.07520	2.5
359.08817	2.1
361.06976	17.4
361.10715	2.6
363.08643	8.9
365.10138	12.0
367.08044	6.1
373.06970	7.1
375.08582	10.9
377.10309	1.9
379.08078	52.5
385.06934	5.7
387.08456	3.3
389.10059	4.3
391.08096	26.2
393.09702	2.9
397.08762	1.6
399.08545	2.0
401.10825	2.5
403.08054	25.8
405.09888	1.7
409.09183	42.1
415.08841	2.1
417.09619	2.6
421.09036	22.7
427.10257	37.4
433.09537	3.8
439.10202	26.1
443.08295	1.9
445.09909	6.2
457.11279	76.0
463.10074	5.6
475.12320	19.2
481.11255	24.8
487.10114	2.5
493.11353	4.1
499.12329	19.4
505.11273	5.0
511.12372	22.2
523.12317	23.3
529.13458	6.9
541.13367	27.4
559.14423	19.7
577.15607	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	593.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90857	0.3
54.61585	0.3
69.45278	1.1
69.45699	1.8
86.73159	0.3
159.98515	0.3
388.17166	0.6
389.17691	0.7
403.19092	2.0
404.19931	0.7
405.20724	1.1
417.15939	0.4
417.21240	3.6
418.21539	1.6
419.22314	2.5
430.17526	0.7
431.18268	5.5
431.23941	0.4
432.19302	1.3
432.24255	0.5
433.24036	6.3
434.24783	1.2
445.19867	7.3
446.20844	3.6
447.21655	3.7
449.23380	0.3
458.20779	0.5
459.21527	2.9
460.22562	11.2
461.23349	11.3
462.24011	0.4
473.23840	1.6
474.24176	1.3
476.25800	1.3
477.22079	0.6
487.25232	0.9
489.26239	0.4
491.24515	1.0
492.25171	1.2
505.21848	4.8
515.24329	0.3
518.23212	0.5
533.25470	40.1
534.25909	1.1
547.26807	0.6
550.26062	0.3
564.23718	0.5
565.28052	1.0
575.26715	0.6
593.27551	100.0
594.27863	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	595.1649
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
55.41885	1.3
57.03438	1.7
61.02928	1.5
69.03417	4.4
71.04444	3.6
81.03410	2.1
83.94814	1.1
85.02886	11.0
95.11469	1.3
97.02887	2.4
109.02885	2.8
119.04915	2.3
121.02855	7.2
127.03875	2.1
145.02805	2.7
149.02322	1.4
163.03935	2.6
165.01782	8.0
167.03386	3.0
181.04950	1.2
183.02852	4.6
195.02896	2.0
195.66347	1.3
267.06509	8.8
270.05173	4.1
271.05975	13.4
279.06430	1.3
281.07880	7.6
283.05972	83.1
284.06720	14.5
295.05972	11.2
295.09247	2.1
297.07635	5.2
307.05954	2.4
308.06799	1.5
309.04059	2.6
309.07507	21.9
313.07010	100.0
321.07419	1.9
323.09009	13.2
333.07486	3.7
337.06989	41.1
349.07068	8.9
351.08517	2.0
361.06903	6.3
367.08047	25.1
367.12582	1.4
379.08090	16.7
397.09079	19.8
398.09918	1.4
415.10181	31.3
433.11234	35.3
503.08325	1.5
505.70700	1.4
584.43201	1.3
595.16620	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	593.2748
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.96864	0.6
69.50756	0.7
85.94429	0.5
86.48037	0.5
98.21478	1.9
100.33394	0.5
118.02235	0.6
138.30586	0.5
307.43890	0.6
388.16724	1.0
389.17572	1.6
402.18756	1.4
403.19382	3.4
404.19879	2.2
405.20789	2.6
416.20285	0.8
417.16650	1.9
417.21594	4.7
418.21405	2.3
419.22278	5.1
430.17447	1.0
431.18079	11.1
432.18607	2.7
433.24249	9.1
434.24899	1.0
444.19412	1.1
445.19864	14.1
446.20667	6.0
447.21738	5.7
459.21606	4.4
460.22531	13.2
460.28293	1.0
461.23227	11.0
473.23276	2.1
476.25763	1.1
477.22195	1.1
487.25125	1.2
491.24359	1.1
492.25656	1.6
504.21393	0.8
505.21793	7.3
519.24390	0.9
533.17096	1.4
533.25439	30.1
534.25885	1.2
565.27979	1.0
593.27539	100.0
594.27997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.5
67.24728	1.1
71.58846	1.2
71.59335	1.2
79.05495	1.3
81.07018	1.2
92.33459	1.1
103.23517	1.1
144.65524	1.0
151.76703	1.0
165.01927	1.1
370.73169	1.3
538.77612	1.2
591.38641	100.0
592.39081	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	591.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
58.76178	0.3
67.05508	0.4
81.07026	0.6
83.59993	0.4
89.06100	0.4
93.07063	0.6
95.05042	0.4
95.08624	0.4
107.08572	0.4
119.08644	0.4
193.10330	0.4
229.75381	0.4
331.58099	0.4
336.33273	0.4
338.07880	0.4
460.22748	0.4
591.40802	100.0
592.41156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89312	0.4
56.96548	0.5
59.29190	0.5
69.54478	2.0
69.54899	1.5
70.06557	0.6
85.02902	0.8
104.23849	0.4
106.49877	0.5
110.15338	0.4
120.39072	0.5
153.01817	2.0
171.02727	0.5
189.05206	9.0
201.03648	0.8
207.06483	0.5
233.07773	0.5
234.08623	0.9
263.08975	1.2
299.05661	1.0
306.09894	0.4
329.06473	0.8
367.13715	3.4
377.12146	1.4
381.11566	8.0
395.13058	3.2
396.13812	9.6
397.14722	0.6
461.17783	1.1
515.67584	0.5
593.22009	100.0
594.22290	3.7
594.48431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.9142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12536	1.0
56.96564	7.3
65.60745	0.8
65.61116	0.7
66.86951	0.8
70.19157	1.5
70.19569	3.4
71.95268	1.2
72.07474	0.8
78.94061	0.7
81.62196	0.9
90.26429	0.8
98.97572	47.8
107.62444	0.9
116.98606	54.8
130.85815	0.8
134.99646	43.8
140.00175	3.8
153.00670	8.8
154.52734	0.8
158.01239	5.5
168.94911	0.7
172.94353	1.3
190.95435	4.4
198.28763	0.9
208.96440	3.4
214.95461	1.3
225.10216	0.8
232.96425	8.5
250.97528	6.9
256.96359	16.2
256.98773	1.2
274.97473	100.0
275.97864	1.7
290.94824	0.9
292.98532	87.6
293.98865	1.3
297.99100	13.8
306.93378	1.6
314.04059	0.8
316.00085	9.3
320.87729	0.9
330.93576	0.9
339.01477	0.9
348.94205	1.2
414.95309	25.6
432.96387	57.7
433.96814	1.5
450.97385	14.1
455.98090	12.2
473.99161	2.3
504.89215	1.4
546.92487	1.9
588.91888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
57.69289	3.4
69.03426	10.0
69.64120	9.7
69.64542	16.3
70.06572	3.8
71.04975	4.1
73.02871	3.6
77.65491	3.2
79.05463	5.2
81.03397	8.9
84.08138	15.0
85.02898	16.6
91.05460	12.0
95.04929	4.5
97.02878	6.5
98.20818	5.9
99.04427	4.8
103.05453	18.0
103.64739	3.2
105.07011	12.6
107.04945	35.8
109.02867	6.7
112.11233	13.2
119.04926	11.4
121.06480	12.9
127.03914	7.1
131.04890	14.9
133.06468	18.7
135.08006	5.8
137.05998	21.5
145.02797	4.1
149.05984	15.0
151.07516	11.6
153.01836	5.7
161.05963	79.5
161.09592	20.0
163.03940	7.0
163.07521	48.7
165.05478	8.6
165.09154	6.0
167.07039	50.3
173.05879	3.8
177.05487	21.7
179.07054	18.8
180.07874	17.4
181.08560	35.3
189.09065	53.2
191.07001	26.5
191.52222	3.8
192.07770	5.0
193.08591	7.4
207.06427	10.1
207.10114	100.0
209.08014	18.7
219.10063	4.7
221.08130	7.5
227.12648	4.1
257.11581	5.4
291.21591	3.6
341.12402	7.3
343.15234	10.7
361.16425	92.2
373.16492	6.7
426.17245	6.6
477.87238	3.7
492.82608	3.6
500.04572	3.9
522.57599	4.0
570.28210	8.4
588.29346	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	588.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71088	9.3
69.03411	14.9
70.06575	15.9
71.04977	23.2
71.58653	14.4
77.20373	9.7
79.05486	14.0
81.03410	26.8
84.08126	32.3
85.02895	25.6
86.09691	15.9
97.02910	11.1
100.36627	10.3
103.05450	15.6
105.07039	22.0
107.04928	80.5
109.02864	17.0
115.05450	15.3
117.03382	15.2
119.04955	19.3
127.03866	14.2
131.04922	11.4
133.02827	23.6
133.06506	17.9
135.08018	20.9
137.05962	51.7
145.02806	47.6
146.03117	15.4
147.04413	39.4
149.05949	24.1
151.07504	19.2
153.01820	59.9
157.06606	10.9
161.06003	20.2
163.07515	100.0
167.06979	97.5
175.03804	13.8
177.05421	69.3
178.05798	29.7
179.07133	17.0
180.79997	9.4
181.08585	33.4
193.08583	39.2
195.10092	91.7
204.12442	11.9
207.10149	13.3
211.09618	52.7
213.11209	39.2
237.11258	17.3
253.10773	13.0
538.28839	11.7
556.29279	53.6
588.28693	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	588.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59266	5.0
81.03413	6.2
84.08136	11.1
85.02895	15.5
91.05473	23.3
93.07034	5.4
97.02895	12.1
103.05465	19.8
105.07021	19.0
107.04948	41.0
112.11211	5.7
117.06985	5.4
119.04917	9.0
121.02867	6.4
121.06509	16.0
127.03940	6.7
129.06946	6.0
131.04921	13.9
132.05721	6.1
133.06509	13.0
135.08054	7.5
137.05995	21.6
145.02859	7.7
146.11194	5.0
147.04462	9.8
148.05223	6.8
149.05975	19.0
151.07520	10.6
153.01851	16.4
161.05969	97.4
161.09625	21.0
163.03915	8.3
163.07533	40.3
165.05466	5.5
167.07054	50.4
172.79742	4.6
175.03989	5.2
177.05479	16.1
177.08990	5.4
179.07019	16.3
180.07822	16.5
181.08585	33.6
189.09091	68.1
191.06963	26.3
192.07773	6.4
193.08611	15.2
197.08029	5.5
207.06383	8.4
207.10130	100.0
209.08107	31.0
315.11960	5.1
317.13873	8.7
343.15274	7.3
361.16422	97.3
373.16553	11.7
570.28235	9.5
588.29028	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	587.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01863	7.0
55.05504	27.9
57.03431	13.6
57.07057	4.4
58.06282	2.8
64.47935	3.2
65.03940	4.7
66.04707	3.2
67.05164	6.5
67.05502	91.3
69.07062	20.5
71.01356	5.9
71.04964	4.9
79.05486	55.0
81.03410	31.2
81.07050	63.1
83.04990	8.2
83.08611	14.9
84.83476	3.8
91.05469	41.0
91.05995	3.9
93.07034	49.2
95.04958	77.6
95.08595	42.8
97.06519	6.5
97.10159	11.0
99.08075	3.4
105.07005	25.8
107.04944	13.1
107.08592	31.9
109.02905	15.4
109.06536	7.4
109.10126	16.9
111.08037	5.4
115.03252	3.3
117.06971	19.6
119.08572	21.4
121.06590	6.6
121.10147	25.1
123.04417	74.7
123.11736	6.5
125.09608	7.3
129.06972	15.5
131.08578	18.2
133.06494	3.8
133.10129	15.2
135.08064	9.2
135.11662	17.6
145.06450	5.5
145.10097	20.1
147.08070	10.1
147.11682	10.4
149.09628	7.8
149.13225	3.6
153.09161	5.1
153.18530	4.1
157.10118	7.5
159.11682	9.1
161.13329	4.8
163.11157	21.8
171.11685	12.7
173.09627	13.2
173.13232	8.1
185.53146	3.4
186.02173	3.3
189.12782	13.4
207.13765	12.4
209.13274	3.7
217.12233	11.8
223.13330	3.9
235.13274	95.2
253.14391	4.8
261.22116	12.0
280.59512	3.6
309.16953	63.6
335.25769	100.0
477.33817	8.3
495.34644	3.6
569.38263	59.8
587.39478	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	587.1024
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.64322	0.6
55.01849	0.9
66.00966	0.6
69.03066	1.0
69.03419	11.0
70.65765	2.0
77.80096	0.5
79.01836	3.2
84.08116	1.0
85.02885	1.2
87.04461	0.7
91.05478	1.2
97.02274	1.1
97.02873	17.6
97.03503	0.9
107.01306	1.0
107.04966	0.6
111.00827	0.8
112.11227	1.4
115.03904	5.5
119.04911	2.3
121.02884	0.9
125.02363	3.0
127.03904	0.6
131.04881	2.9
137.02287	2.2
143.03357	5.9
145.02805	1.1
147.04396	3.8
147.66249	0.6
153.01804	100.0
153.02785	3.6
154.02138	0.7
159.04350	4.6
163.03853	2.3
165.01805	0.8
165.05402	1.4
171.02869	1.0
175.03929	2.8
177.05435	3.1
179.03360	5.8
181.01147	0.7
187.03886	0.7
191.03415	0.9
193.04875	3.2
197.52943	0.6
203.03407	1.4
205.04939	12.6
207.02856	14.4
221.04439	5.4
229.05022	1.3
231.02818	4.2
235.18698	0.6
237.03897	1.8
249.03929	7.7
267.04968	26.8
267.65457	0.7
285.06079	6.0
303.04932	27.2
315.05072	0.6
327.04956	2.0
345.06067	1.8
390.97580	2.8
404.95255	1.4
408.98654	2.2
432.98505	1.2
443.71066	0.6
546.02875	1.5
587.10547	1.2
587.30164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50627	0.4
55.05498	1.9
57.07071	34.6
59.04993	0.7
62.11516	0.4
65.28312	0.5
67.05508	0.5
69.07060	1.7
69.38689	1.4
69.39113	2.8
71.08623	22.5
73.06548	7.7
78.55944	0.4
79.05428	0.5
81.07070	0.7
83.08612	1.7
85.10172	22.0
87.04463	5.8
89.06022	100.0
91.07574	1.6
93.20077	0.4
97.10145	3.2
98.05103	0.4
98.21561	0.8
99.11729	4.5
99.94915	0.4
105.07042	0.7
106.74002	0.4
107.07062	4.1
113.13282	1.6
117.09111	7.9
121.10103	0.6
130.08603	3.2
131.07016	2.5
133.08586	53.8
135.10175	1.5
136.11722	0.4
155.17918	4.9
158.60088	0.4
161.11716	1.6
175.09608	1.2
177.11209	21.2
199.20538	5.0
205.14590	0.5
221.13789	3.1
223.15427	0.7
236.83052	0.5
239.14923	1.6
240.23196	1.5
243.23175	9.4
280.93710	0.5
283.17560	1.6
287.25772	5.6
308.67297	0.5
309.19104	0.6
327.20203	2.0
345.58054	0.4
354.23743	0.5
371.22803	0.9
415.25409	4.6
439.88815	0.5
465.13226	0.5
476.63693	0.5
507.50372	0.4
520.22833	0.5
569.42535	6.6
586.45154	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12789	1.7
51.73938	1.5
53.57315	1.8
55.05501	15.2
57.03416	3.5
57.07063	9.1
59.92870	1.7
61.02914	2.7
62.35201	1.7
67.05497	4.2
69.03428	10.7
69.07059	40.0
71.04993	2.4
71.08614	3.9
71.59833	2.4
79.05496	2.6
81.03403	3.8
81.07055	14.8
83.08603	18.6
84.08138	2.1
85.02879	22.5
85.06542	2.6
85.10168	2.7
91.05458	2.9
92.05799	1.7
93.07022	6.4
95.08593	14.7
97.02876	10.0
97.06512	2.8
97.10153	19.1
99.08096	3.1
107.08591	8.8
109.02856	4.1
109.10141	12.0
111.08072	9.0
111.11703	10.7
113.09605	1.9
115.03951	3.6
119.04959	2.1
121.10142	12.8
125.09584	5.8
125.13212	2.7
127.03876	6.4
129.12721	2.1
135.11659	15.8
137.05884	1.9
137.13257	2.4
139.11172	4.9
143.10643	2.0
145.02820	2.1
145.04944	6.6
145.17253	1.7
149.13197	4.9
153.01794	18.7
153.12721	4.4
163.06013	3.0
166.24197	1.7
174.27100	2.0
177.05424	3.4
191.17908	32.2
207.02988	2.0
207.06548	2.4
209.18983	55.5
227.20036	100.0
245.21057	17.7
259.11819	6.7
259.61914	3.2
260.11472	2.2
303.04898	10.0
325.13678	2.5
325.64063	4.0
333.12784	5.2
342.14108	2.6
359.14801	2.6
360.15027	4.6
370.16940	1.6
445.78357	1.8
586.29095	7.7
587.29584	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63148	0.6
58.06590	4.1
63.02375	0.6
69.03422	1.2
70.06582	2.4
70.74818	1.8
72.08138	3.8
77.03906	0.9
81.03407	0.8
81.07023	0.7
84.08128	16.8
85.02905	1.7
89.03898	6.3
91.05462	15.8
91.06004	1.1
93.07024	0.8
95.04934	0.7
97.02879	1.0
98.09691	1.2
103.05441	0.7
107.04960	0.9
110.09644	0.9
112.11227	45.5
113.54948	0.6
117.03362	16.8
118.06507	0.6
118.19041	0.6
119.04921	25.9
120.08039	0.8
121.02862	2.9
121.06482	0.8
127.03880	0.8
128.60886	0.6
129.13860	41.0
131.04869	1.0
134.03658	1.3
135.04419	1.8
136.07559	0.6
137.02364	1.4
137.05978	1.6
145.02818	51.0
146.21188	0.5
147.04388	24.3
149.05954	5.7
153.01828	2.4
155.11765	8.1
157.03989	1.8
161.06044	1.0
163.03897	1.4
163.07494	0.9
164.04726	0.8
167.07013	3.9
174.05487	1.4
175.02304	1.2
175.02711	0.8
175.03880	47.3
177.05443	69.0
179.07040	1.9
186.05478	1.8
203.22250	0.9
206.08180	1.1
207.06490	61.2
229.20285	0.8
233.12823	1.0
234.09171	0.8
234.11205	32.5
263.13892	3.7
264.12265	48.6
305.18552	35.5
335.19586	44.0
336.20480	0.8
377.01797	1.6
379.27008	5.5
391.26913	0.7
395.03012	0.7
409.28024	7.6
523.76605	0.7
567.31610	2.2
568.30017	4.5
585.32751	100.0
586.33051	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42622	0.6
58.06588	4.2
69.73459	0.6
70.06576	1.8
70.84573	1.2
70.84975	1.2
72.08155	3.4
76.14597	0.7
79.99805	0.6
81.03431	0.6
84.08135	19.6
85.08358	0.6
89.03915	4.3
91.05472	14.0
98.09678	1.4
106.37607	0.6
110.09670	0.7
111.00436	0.6
112.11232	51.1
117.03351	10.8
117.04100	0.7
119.04929	24.5
119.05762	1.3
129.13866	40.1
135.04414	1.0
137.05991	0.7
145.02832	34.2
147.04399	23.3
149.02281	0.8
149.05992	4.0
149.07263	0.9
155.11775	3.8
157.03993	1.1
167.07072	1.4
167.22394	0.6
174.05545	0.7
175.03891	39.0
176.04323	0.6
177.05453	49.9
179.07005	1.5
180.06454	0.7
203.22380	2.3
207.06511	39.2
208.06966	0.9
233.12833	1.9
234.11230	25.7
263.14001	1.1
264.12296	20.6
293.11682	2.7
305.18555	25.5
335.19614	24.6
379.27005	12.7
379.31625	1.0
408.12357	0.7
409.28122	10.7
423.14178	1.0
567.31567	1.9
568.30157	12.9
585.32776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1238
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
51.02369	0.4
51.19014	0.4
55.01865	0.7
58.96776	0.4
61.89951	0.5
67.05479	0.5
69.03413	1.9
70.21061	0.5
70.30654	1.8
79.01856	4.9
79.05477	0.6
83.04956	0.7
84.08125	0.8
85.02917	1.3
91.05469	1.2
91.23005	0.5
93.07041	0.7
95.08601	0.6
95.76620	0.4
96.43604	0.5
97.02888	1.5
98.97604	0.6
105.03374	0.8
105.06998	0.6
107.01324	1.2
107.04951	0.9
109.02846	0.5
111.04433	1.8
112.11249	1.3
119.04876	0.8
121.02865	11.1
124.87727	0.5
125.02351	3.8
127.03927	0.8
129.13866	0.8
135.11703	0.5
137.06013	0.9
143.03395	9.3
145.02835	1.5
145.87210	0.5
147.04410	1.5
149.02278	0.7
151.03893	0.6
153.01822	100.0
161.02338	1.0
167.03355	1.1
175.03871	1.1
177.05508	1.5
179.03325	0.9
181.04919	1.0
181.06442	0.7
187.04012	0.5
189.01837	0.9
191.03500	0.6
207.02927	2.5
207.06511	1.6
219.02910	0.6
219.06552	1.7
223.43362	0.5
227.07021	0.6
229.04887	0.6
234.11224	0.5
237.05690	0.6
245.04404	1.0
255.06522	1.2
259.05914	0.7
263.05499	1.1
265.20908	0.4
281.06577	5.2
283.06021	8.8
286.04672	1.4
287.05469	5.8
298.25958	0.4
299.05185	11.1
299.08398	0.5
300.06335	3.9
310.04831	0.5
311.05475	25.0
313.03458	0.5
313.06967	1.8
323.05563	0.8
325.07135	3.2
329.06522	32.4
335.19525	0.8
337.06934	0.9
341.06638	1.5
351.08585	2.1
353.06406	5.9
359.07648	0.7
365.10306	0.8
371.07819	0.9
379.08200	4.9
389.15585	0.6
397.04111	0.3
397.09155	9.8
415.10245	9.2
433.11288	4.8
481.07709	3.4
567.10919	1.2
585.12396	10.2
585.27258	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.3
51.57180	1.1
53.03931	2.9
54.54397	1.0
55.01876	1.1
55.05509	11.7
57.07059	6.4
59.04984	2.8
62.76437	1.3
65.03919	3.4
67.05493	17.3
69.03416	6.7
69.07066	15.0
70.78909	2.8
71.05008	1.4
79.05476	19.2
79.67379	1.1
81.06573	1.8
81.07045	27.2
83.04971	6.4
83.08609	5.3
85.06540	4.3
87.04464	1.4
91.05466	35.2
93.07027	50.2
93.07622	2.7
95.04954	10.2
95.08588	30.9
97.06522	7.1
103.05476	2.0
105.04501	1.3
105.07011	54.1
107.04932	2.1
107.08577	39.4
109.06511	7.3
109.10149	14.8
111.08068	4.6
115.05443	4.0
116.06203	1.4
117.06984	12.4
119.08560	60.4
121.06502	3.8
121.10121	43.0
123.08057	15.7
123.11685	7.3
125.06014	1.8
125.09631	2.3
126.97495	1.1
128.06189	7.8
129.06990	12.6
130.07794	6.9
131.08545	27.1
132.09364	1.5
133.06517	1.9
133.10110	33.6
135.08054	7.3
135.11682	11.7
137.09627	9.5
137.13174	1.3
139.11177	2.8
141.06970	7.7
142.07756	17.6
143.08539	29.3
144.09332	6.1
145.06508	2.0
145.10103	38.3
147.08032	9.1
147.11662	12.6
149.09605	10.6
149.13260	3.2
151.07530	13.9
153.07002	3.2
154.07762	1.6
155.08511	12.9
155.10634	2.0
156.09323	14.9
157.10109	41.7
158.10889	6.0
159.08070	4.2
159.11668	21.6
161.09616	5.6
161.13200	6.0
163.11159	4.6
163.14784	1.7
165.06970	6.0
165.09076	14.7
166.07834	3.8
167.08557	10.1
167.10651	28.6
168.09352	5.5
169.10097	23.3
170.10814	6.8
171.08018	1.4
171.11652	25.5
172.12488	2.2
173.09625	3.7
173.13239	17.4
175.11203	3.6
175.14806	9.7
177.12654	1.4
178.07845	2.0
179.08487	11.4
180.09344	4.3
181.10092	14.4
181.12221	5.9
182.10912	5.9
183.11665	23.5
184.12483	4.6
185.09589	1.9
185.13223	12.6
187.14856	5.6
189.12756	5.7
189.16339	2.2
191.08591	1.5
191.14290	6.3
192.09341	4.2
193.10115	14.2
194.10913	9.7
195.11668	18.0
196.12486	6.0
197.13220	21.1
198.13919	1.8
199.11084	1.8
199.14810	13.1
201.12833	1.7
201.16417	3.6
203.08548	1.5
203.14268	7.0
205.10144	3.5
205.15884	2.7
206.10925	5.7
207.11684	14.7
207.13809	8.7
208.12448	6.0
209.13222	24.4
210.14027	2.4
211.11230	2.1
211.14815	8.2
213.12714	3.3
213.16325	2.8
215.14351	5.1
217.10056	2.5
217.15839	7.6
218.10941	2.8
219.11720	7.5
220.12502	4.9
221.13245	13.7
221.15396	24.7
222.14015	4.0
223.11240	1.6
223.14833	12.7
224.15625	2.0
225.12756	2.1
225.16371	3.8
227.14284	2.2
229.09941	1.6
229.15955	1.5
231.11696	5.0
231.17479	1.7
232.12479	2.4
233.13251	7.3
233.15390	10.6
234.14058	3.3
235.14809	11.5
236.15466	3.1
237.12842	1.5
237.16391	6.3
239.14439	2.0
239.18010	2.8
241.15802	2.3
243.11787	2.7
243.17387	1.7
245.13226	6.2
246.14066	4.2
247.14809	7.5
247.16959	2.3
248.15581	2.7
249.16409	7.8
250.17207	1.8
251.17993	6.7
253.15750	1.8
253.19481	2.5
255.17474	2.8
257.13248	2.8
257.19031	4.7
258.13992	2.8
259.14780	6.3
260.15692	4.0
261.16272	7.5
262.17175	2.2
263.17996	3.9
265.19553	4.4
267.17563	2.1
269.19006	5.9
271.14792	1.5
271.20444	2.7
273.16266	3.3
273.18768	2.4
274.17026	1.8
275.17770	6.3
277.19519	4.7
279.17798	2.2
279.21143	3.4
281.19095	3.6
283.20544	9.8
287.17700	2.0
287.20428	1.6
289.19507	4.4
291.21057	1.5
293.18781	2.0
295.20599	3.7
297.22034	2.5
299.20282	2.5
301.19391	2.1
303.20984	2.4
305.22775	1.3
307.20438	2.2
309.16345	1.4
309.22180	1.7
319.20432	1.5
319.23941	1.8
329.22626	1.7
331.24313	4.1
335.23715	2.5
347.23450	2.2
349.25272	4.5
357.26120	2.5
361.25214	3.8
373.25626	1.5
375.26944	3.8
385.28830	2.0
403.29987	9.4
427.30029	2.1
443.29303	2.0
491.35010	3.1
503.35324	2.6
509.34149	3.7
547.39227	5.7
565.40405	20.4
566.40930	1.4
583.41400	100.0
584.41711	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01872	3.2
55.05503	17.1
57.07059	12.4
58.99530	2.7
59.04969	3.4
60.46697	2.7
60.56778	2.5
63.24869	3.1
65.03929	5.7
67.05493	29.4
69.03407	8.5
69.07068	20.6
69.22969	2.6
69.32642	28.1
79.05042	5.0
79.05473	36.7
81.07044	48.0
83.04962	12.5
83.08606	10.2
85.06534	8.1
91.05471	54.3
93.07034	65.0
95.04977	15.6
95.08025	5.7
95.08595	47.3
97.06535	7.1
103.05469	5.0
105.07018	89.9
107.08591	57.6
109.06509	11.2
109.10139	21.7
111.80851	2.9
115.05442	5.9
117.07024	18.3
119.08574	100.0
121.06477	3.5
121.10133	51.4
123.08046	19.4
123.11720	5.4
125.09588	5.0
128.06227	18.7
129.06998	16.6
130.07771	9.6
131.08551	35.9
133.06454	4.2
133.10107	50.9
135.08052	12.6
135.11639	15.4
137.09625	13.4
137.95508	2.9
139.07558	3.3
139.11246	3.3
141.06999	10.1
142.07756	29.7
143.08539	48.5
144.09331	12.7
145.10117	59.9
147.08008	21.6
147.11722	17.7
149.09616	8.6
151.07507	17.3
153.06938	3.5
153.09003	4.3
154.07788	4.2
155.08519	28.0
156.09335	29.6
157.10109	73.7
158.10907	12.3
159.08009	7.2
159.11665	28.1
161.09558	3.2
161.13240	6.5
161.48094	3.1
163.11180	8.6
165.06966	7.9
165.09097	38.1
166.07776	5.8
167.08565	13.0
167.10684	12.1
168.09331	11.6
169.01837	3.2
169.10106	33.9
170.10876	14.1
171.11670	39.5
173.09691	5.0
173.13240	30.5
175.14822	10.9
178.07823	2.9
179.08586	17.1
179.10617	3.2
180.09290	7.4
181.10130	21.0
181.12265	6.5
182.10921	15.3
183.11650	30.2
184.12479	4.5
185.13223	20.5
187.11191	4.8
187.14822	9.3
189.12747	5.5
191.14325	13.6
192.09320	7.3
193.10120	19.8
194.10922	12.7
195.11687	23.9
196.12509	8.7
197.13196	20.6
198.14160	2.8
199.14845	21.6
201.12758	3.4
203.08492	3.7
203.14325	17.3
206.10942	7.1
207.11713	24.8
207.13838	10.5
208.12483	13.0
209.13168	24.3
210.13954	4.0
211.14835	15.3
213.16403	5.8
215.14355	5.1
217.10060	5.2
217.15912	8.5
218.10968	5.7
219.11707	9.5
220.12401	7.4
221.13274	18.5
221.15384	72.0
222.14137	4.7
223.14856	12.5
225.16382	8.1
229.10052	4.9
231.11603	7.1
232.12384	4.0
233.13252	13.8
233.15337	6.2
234.13982	4.6
235.14793	12.4
236.15591	4.1
237.16321	8.4
239.14578	2.8
239.17957	8.0
245.13211	11.5
246.14166	7.4
247.14804	11.2
248.15544	4.5
249.16437	11.0
251.17979	10.6
257.19034	6.8
258.13947	3.5
259.14868	7.9
260.15555	6.2
261.16376	12.9
263.17935	7.4
265.19537	9.7
269.13110	3.0
269.19034	3.7
273.16275	5.9
275.17844	15.6
277.19574	9.4
283.20474	18.4
287.17642	3.7
287.20422	4.2
289.19418	6.4
291.20721	3.4
295.20779	4.1
297.22122	3.6
299.17798	4.9
303.21259	4.2
307.20868	3.5
331.24173	6.1
333.21991	3.2
349.25293	10.9
375.26782	7.8
403.29892	7.2
491.35187	6.0
503.35550	6.8
534.46344	3.1
565.40295	24.9
583.41345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80106	8.5
57.03341	8.8
59.07923	8.4
63.46295	10.3
65.96215	9.4
67.05495	23.6
68.10341	9.2
69.27388	100.0
71.08601	9.9
79.05475	13.6
81.07056	23.0
83.08607	10.4
91.05473	24.0
93.07031	31.8
95.04975	17.5
95.08620	20.2
105.07041	47.0
107.08591	23.3
118.48554	9.2
119.08556	38.6
121.10134	31.3
129.06982	12.6
131.08566	12.7
133.10109	19.0
137.09561	8.7
142.07791	12.5
143.08540	19.6
145.10149	19.3
157.10146	21.3
159.11662	10.4
167.08502	10.7
169.10133	15.7
209.13298	11.3
219.11794	12.0
221.15381	34.3
235.14876	10.2
248.47806	11.7
351.97211	9.2
448.28760	10.8
565.39191	16.7
583.41113	41.6
590.14539	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	583.3595
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
53.17393	0.8
53.34583	0.8
55.05496	1.5
56.99258	0.7
57.03427	1.0
67.05491	4.6
69.07050	1.4
79.05469	2.8
81.07049	4.6
91.05440	1.2
93.07018	3.0
95.08581	4.1
98.20778	1.6
105.07031	1.1
105.39632	0.7
107.08599	1.4
109.10148	1.9
119.08550	1.2
123.11696	0.9
131.08537	1.1
145.10141	0.9
187.19862	0.7
249.10954	30.9
305.13635	3.2
335.25870	1.0
583.35938	100.0
584.05743	0.8
584.36206	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77253	2.3
55.05500	6.4
57.07054	8.2
67.05503	13.7
68.37554	2.6
69.03427	4.0
69.07067	7.6
69.36237	27.9
79.05487	9.6
81.07040	16.3
83.08649	3.9
85.06547	3.3
91.05479	16.5
92.80622	2.4
93.07055	21.5
95.04980	8.0
95.08614	19.6
98.21447	5.6
105.07036	30.0
107.04963	4.1
107.08597	14.0
109.06524	3.2
109.10174	6.3
117.07008	7.0
119.08567	28.6
121.10142	19.5
123.08082	14.7
128.06242	4.3
129.06995	7.8
131.08569	13.5
133.06554	2.7
133.10124	15.2
135.08015	5.6
135.11655	4.2
137.09610	6.5
142.07777	7.1
143.08565	12.1
145.10106	20.4
147.08075	17.3
147.11694	6.7
151.07542	17.5
155.08572	5.3
156.09373	7.3
157.10120	23.1
159.11697	9.5
161.09569	3.3
161.13321	4.6
163.11169	3.7
165.09131	27.9
167.08656	2.8
169.10161	10.4
170.10973	3.7
171.11731	12.6
173.13292	5.9
181.10126	7.4
183.11761	10.4
185.13216	9.0
185.64403	2.5
189.12729	5.6
195.11710	4.8
196.12572	4.4
197.13280	11.4
199.14731	4.2
203.14301	14.3
206.11017	3.5
207.11671	7.6
207.13776	8.6
208.12622	3.2
209.13306	11.1
211.14848	4.6
219.11771	3.8
221.13380	3.3
221.15344	58.2
223.14865	7.5
233.13301	5.0
235.14767	4.1
277.19260	3.4
279.20999	2.9
283.20654	3.7
295.20645	3.2
297.21967	6.6
357.17194	2.8
375.26834	4.8
378.23975	2.8
403.30060	8.9
416.24063	2.9
503.35400	5.7
509.34021	3.4
565.40424	30.4
583.41400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
56.05040	1.6
58.06584	5.2
68.05029	1.8
70.06580	6.7
71.41582	1.2
71.59127	1.9
72.08156	7.9
82.06550	1.8
84.08134	100.0
85.02869	1.2
85.07653	13.5
86.09722	1.2
96.08127	3.6
98.09679	26.5
110.09666	27.0
112.03970	1.4
112.11232	46.3
115.12353	2.8
119.22054	1.2
123.09183	3.2
127.12309	4.5
129.13869	32.6
137.05925	2.4
139.08723	1.4
140.07059	5.4
145.02841	1.4
147.04489	1.3
151.03877	1.5
151.06310	3.5
152.07126	3.1
153.10222	1.6
155.11780	3.6
167.08144	2.1
180.08961	4.2
181.09822	1.5
193.09814	1.6
207.22903	1.2
211.14415	2.3
224.13837	1.2
227.03278	2.4
231.06552	1.5
233.08162	1.4
251.22354	2.5
259.06122	2.9
262.06256	2.3
264.17130	1.6
289.10687	29.1
294.20508	22.1
295.09702	2.1
295.21219	8.3
305.01117	2.0
308.06924	1.6
323.09229	3.9
333.00568	1.4
340.09460	2.5
355.08066	1.4
355.11768	7.6
368.63361	1.5
394.13245	1.4
423.13013	3.1
438.15390	5.9
440.16913	3.1
455.18246	3.5
494.20743	1.6
499.24719	3.5
509.22797	21.5
529.12701	1.5
554.28198	2.5
555.31323	3.0
565.29932	2.5
583.31207	100.0
584.31531	1.7
592.78931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1494
Annotation	Orientin 2''-O-beta-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03410	0.7
57.38201	0.6
69.03415	1.0
69.87324	1.7
69.87740	2.2
70.06523	0.6
73.02899	1.3
75.83158	0.7
76.83089	0.6
79.01825	1.6
81.03362	0.9
84.72795	0.7
85.02876	1.5
86.09656	0.8
97.02855	0.9
109.02830	1.0
125.02237	0.6
130.88110	0.8
135.04356	1.3
137.02339	11.2
153.01799	2.1
153.28162	0.6
161.02283	1.7
161.05988	1.0
163.03860	1.4
165.01808	2.0
171.02800	0.8
177.01712	0.8
179.03255	0.9
183.02876	1.0
191.03317	0.7
195.02849	1.0
205.05070	0.9
217.04933	3.6
227.06706	0.7
229.04874	2.3
243.06476	1.2
244.07336	0.7
259.05963	3.1
261.03931	2.8
271.06003	3.3
272.06818	6.3
287.05417	6.2
295.05725	0.9
299.05457	53.7
300.06256	31.9
301.06955	2.4
311.05423	12.7
313.06995	12.4
323.05563	1.0
324.06271	2.7
325.06998	5.6
327.04852	2.4
329.06509	100.0
330.06857	1.0
332.05261	0.8
339.04959	2.1
339.08578	12.8
341.06570	4.7
343.07950	1.1
349.06976	0.8
353.06482	23.4
359.07648	4.6
365.06494	1.8
365.42801	0.8
367.08066	6.3
371.07428	1.9
383.07510	8.4
385.09155	0.7
395.07559	7.7
413.08627	19.5
431.03726	0.9
431.09653	24.4
449.10757	80.7
450.10757	0.8
461.10590	4.5
503.21597	0.7
581.14935	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1494
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
57.03431	7.5
60.25792	0.8
61.02900	2.3
67.48190	0.9
69.03427	1.7
69.78326	3.5
69.78759	2.8
73.02908	12.0
81.03416	1.2
83.49883	1.0
85.02894	2.2
97.02837	1.2
109.02847	1.6
115.03907	1.6
121.02855	2.0
121.74216	0.9
135.04439	2.4
137.02330	5.8
149.02304	1.4
153.01801	1.2
161.02332	2.6
163.03899	1.9
165.01828	9.5
167.03377	4.0
177.01810	1.5
179.03447	1.3
181.04910	0.9
181.89325	0.9
183.02806	5.3
189.01883	0.9
191.03406	2.0
195.02943	3.2
255.06602	1.0
263.10501	1.0
265.87305	1.0
270.59787	0.9
272.06824	1.0
283.06012	9.5
286.04712	4.3
287.05408	7.9
297.07489	8.8
299.05466	100.0
300.06180	12.8
301.07101	1.2
307.05954	1.1
309.07632	0.9
311.05554	14.5
311.09070	2.8
313.03360	1.3
313.06967	3.4
321.07584	2.6
323.05426	1.3
324.06152	1.4
325.03528	1.9
325.06982	25.8
327.05029	1.1
329.06519	98.0
330.06708	1.4
337.07132	4.0
339.08551	16.5
349.06989	4.3
353.06525	46.1
365.06503	12.2
367.08051	2.9
377.06418	10.4
383.07562	28.5
395.07547	19.7
413.08636	20.6
431.09711	40.3
449.10782	45.1
581.14246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1493
Annotation	Orientin 2''-O-beta-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01862	2.9
56.15641	1.5
57.03427	2.6
61.02928	2.1
62.43531	1.5
68.99792	2.0
81.03387	2.2
82.23812	1.6
84.88761	1.6
85.02897	2.9
85.80704	1.4
93.85097	1.6
94.86599	1.5
103.03921	2.1
107.04936	3.3
119.04967	2.3
121.02872	1.8
131.05035	2.2
135.04417	8.6
137.02325	29.7
137.03331	1.6
159.04388	1.9
161.02333	4.4
163.03868	2.7
163.24242	1.7
166.97571	1.7
177.01726	3.0
179.03339	2.8
187.03848	2.4
189.01791	5.2
189.05431	3.4
191.03482	3.3
195.02911	8.0
201.05412	1.9
203.03371	11.0
205.04906	3.6
207.02895	7.2
213.05490	2.7
215.03386	5.5
217.04889	7.5
219.02893	3.9
221.04459	4.7
229.05003	3.2
231.02980	1.7
233.04535	4.3
245.04395	3.9
273.03848	3.0
283.06137	2.9
284.06693	3.1
295.06003	3.9
297.07492	5.3
299.05435	4.9
300.06058	2.1
308.06921	2.1
309.07651	3.0
310.04697	11.7
311.05438	58.7
311.08664	2.7
312.06021	5.0
313.06955	4.1
321.07562	3.2
323.05457	41.1
323.08789	2.3
324.06137	13.8
325.07025	17.8
329.06497	3.7
333.07669	4.3
335.05423	4.6
336.06091	8.5
337.06973	42.0
338.07697	7.8
339.04907	2.4
339.08536	4.4
341.06543	55.7
345.07510	3.6
347.05322	1.8
349.06964	21.4
350.07721	6.1
351.04764	2.8
351.08499	17.0
352.05801	5.2
353.06525	41.3
355.07993	4.5
361.06906	13.4
363.08600	7.3
365.06519	39.6
366.07211	2.2
367.08044	25.8
371.07626	7.6
375.08633	3.4
377.06445	27.5
377.10931	1.3
378.07205	2.0
379.08057	27.0
381.09418	2.7
383.07477	6.3
389.06372	13.0
391.08142	8.6
395.07574	54.8
395.12802	2.8
403.08154	5.7
407.07568	52.3
413.08536	3.9
419.07294	9.5
421.09396	2.8
425.08612	77.0
431.07672	8.4
433.09009	3.1
437.08624	7.6
443.09689	100.0
445.09006	2.0
449.08307	9.6
455.09842	3.6
461.09702	10.0
467.09579	3.3
473.10577	10.8
479.09601	6.4
485.10519	6.5
491.10986	10.2
497.10699	36.5
509.10812	12.4
515.04828	2.6
515.11780	24.8
527.11774	63.8
545.12885	26.8
563.13977	12.3
581.15057	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3886
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03936	7.5
55.01863	7.0
55.05502	31.2
57.03425	13.0
57.07058	4.6
65.03925	7.0
67.05496	100.0
69.03387	2.7
69.07058	27.5
69.45927	20.5
71.04982	8.0
79.05479	58.1
81.03396	12.6
81.07043	93.4
83.04955	14.6
83.08607	20.7
85.02881	3.5
85.06528	5.7
91.05471	44.0
93.07029	60.8
95.04980	13.5
95.08591	64.4
97.06515	12.1
97.10167	12.1
98.21606	2.4
99.08077	3.9
102.68037	3.7
105.07008	28.5
107.04926	14.3
107.08568	42.0
109.06492	5.4
109.10138	44.9
111.04451	12.3
111.08041	7.3
112.46909	2.8
113.09640	2.5
117.07005	14.2
119.08566	33.1
121.06519	4.4
121.10124	42.8
123.08048	4.0
123.11700	9.3
125.09612	8.7
129.07005	5.6
131.08553	23.6
132.59491	2.7
133.10121	23.1
135.08015	6.1
135.11667	27.7
137.09598	4.5
137.13246	4.3
139.11201	7.8
143.08586	5.6
145.10121	24.5
147.11676	15.2
149.09624	7.1
149.13286	8.9
151.11197	3.1
151.90932	2.6
153.12741	5.1
157.10002	6.8
159.11661	13.6
161.09732	3.2
161.13271	7.5
163.11159	21.4
171.11754	4.3
173.09599	8.8
173.11864	5.3
173.13272	11.3
175.11217	3.5
175.14790	6.7
181.12210	7.1
183.11658	4.7
185.13246	3.9
187.14792	5.2
189.12782	3.1
191.10667	10.3
193.12251	6.3
197.13177	2.7
199.13176	2.9
199.14870	3.4
209.11726	5.1
227.12798	11.4
229.14371	10.0
241.19533	3.0
243.20927	4.9
245.13780	8.6
261.22073	17.1
265.14249	8.5
267.15961	5.0
268.54141	2.9
277.21417	4.9
279.23245	3.9
283.15344	18.6
291.81363	2.8
301.16379	12.2
301.21518	3.1
303.23148	4.2
304.75861	2.9
317.24670	5.6
318.75818	2.5
333.24393	6.2
335.25864	23.7
451.32178	5.8
469.32675	4.6
487.34073	4.8
489.35751	5.2
505.35095	3.1
525.35504	6.8
543.36554	21.7
561.37695	27.9
579.39044	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	579.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01867	4.0
55.05509	9.8
57.03433	6.0
57.07064	3.6
58.65952	0.9
65.03915	2.3
65.52985	1.0
66.36847	0.9
67.05496	64.2
69.03417	4.7
69.07063	11.0
69.33686	9.7
70.03961	0.9
71.04989	2.0
71.08628	1.3
73.02901	4.0
75.04499	1.2
79.05484	32.3
81.03410	5.0
81.07045	73.1
83.04949	1.6
83.08601	6.7
85.02905	3.3
85.06535	1.5
91.05465	18.5
93.07030	47.6
94.04424	0.9
95.04968	4.1
95.08595	55.9
97.02863	2.1
97.06519	3.5
97.10162	3.5
98.98456	3.2
99.04453	2.9
99.08089	1.7
105.07021	18.1
107.08580	31.6
109.02876	8.0
109.06501	2.0
109.10143	31.3
110.03659	3.7
111.04433	4.0
111.08080	1.4
113.09574	1.1
117.07004	8.1
117.71889	0.9
119.08555	14.5
121.10127	29.3
123.08122	1.5
123.11682	17.4
125.09605	1.6
125.13027	1.2
127.03893	3.3
129.07018	1.8
131.08549	20.0
133.10117	12.5
135.08112	1.0
135.11673	22.5
137.09605	2.3
137.13269	7.9
143.08594	1.8
145.10115	17.0
147.11658	10.7
149.09572	1.5
149.13237	17.2
151.11186	2.5
151.14796	2.5
155.01019	2.6
159.11664	14.8
161.13235	7.3
162.01343	0.9
163.14799	11.5
165.12799	2.5
169.10059	1.2
173.13234	15.4
175.14793	2.9
177.12740	1.2
177.16360	3.8
179.14352	1.3
187.14784	8.8
191.00105	3.1
191.14291	1.9
201.16360	2.0
205.15891	2.2
215.17947	1.0
233.18947	1.2
233.22639	3.9
243.21043	27.5
245.22511	1.1
259.20703	1.3
261.22107	100.0
262.22321	1.1
263.23676	2.8
265.12408	1.0
279.23178	5.0
280.28250	1.2
291.23187	1.1
303.23203	1.8
315.23712	1.1
317.24615	1.9
335.25748	18.2
337.27432	2.2
353.26837	71.9
369.24292	1.2
377.26862	2.2
389.26666	1.1
443.28040	1.7
451.21353	1.7
469.22458	1.4
487.23621	1.7
507.23718	1.3
554.99866	1.0
561.27203	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	579.17
Annotation	Isovitexin 4'-rhamnoside
Peak:m/z	Relative Intensity
51.09818	0.9
57.03423	6.0
68.40188	0.8
69.35943	3.1
69.36364	5.8
71.04983	39.3
81.03416	1.5
83.04938	1.1
85.02888	39.6
87.04462	1.4
97.02885	1.0
103.03932	1.3
106.99306	0.9
109.02841	3.1
119.04928	3.4
121.02853	7.4
127.03870	1.2
129.05446	5.9
136.62346	0.9
145.02835	3.0
147.04251	1.0
147.06503	1.1
153.01805	2.4
163.03862	2.8
165.01788	7.1
167.03358	2.3
167.07039	2.8
177.01825	1.9
177.05421	1.2
181.05017	1.4
183.02919	5.2
187.03912	2.1
191.03432	1.2
195.02872	3.0
239.07040	1.3
261.04056	1.7
267.06442	9.6
270.05228	3.0
271.05930	7.8
281.07935	7.9
283.05975	100.0
284.06747	13.5
295.06046	11.2
295.09250	1.6
297.04166	1.5
297.07513	3.2
305.08170	2.4
307.05933	2.7
308.06851	2.7
309.04071	1.5
309.07471	22.1
313.07010	96.7
321.07407	2.3
323.09091	18.9
325.06952	1.3
333.07596	3.3
337.06995	46.8
339.95468	1.0
349.07016	12.0
351.08514	3.8
361.07269	10.0
367.08054	32.1
379.08133	20.0
397.09113	26.5
415.10165	47.0
416.10193	1.3
433.11237	63.0
579.18347	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	577.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01862	5.5
55.05512	37.9
57.03438	12.4
57.07074	3.7
59.04987	5.0
65.03925	3.7
67.05504	94.7
69.03455	3.2
69.07073	26.2
70.72625	8.7
71.04994	14.5
75.77977	2.6
79.05487	63.4
81.03410	20.6
81.06570	5.2
81.07053	100.0
83.05003	5.9
83.08615	18.4
83.78659	2.5
85.06537	7.3
91.05480	64.5
93.07040	74.4
95.04967	14.6
95.08044	5.3
95.08607	66.2
97.06529	12.2
97.10169	14.7
99.08073	3.3
105.07024	58.6
107.04916	4.4
107.08596	40.4
109.06510	7.7
109.10172	27.3
111.08044	4.3
117.07001	20.5
119.08577	55.1
121.06530	4.6
121.10141	31.9
123.08080	4.2
123.11686	13.5
125.09626	17.2
127.53299	2.5
129.06987	13.3
131.08578	38.6
133.10144	28.2
135.08076	6.3
135.11728	16.0
137.09615	4.1
137.13258	4.9
142.07730	3.0
143.08554	17.3
145.10123	29.8
147.08014	3.1
147.11688	27.6
149.09601	7.3
149.13278	5.6
151.11157	3.5
155.08568	7.5
157.10117	14.8
159.11674	23.0
161.13239	13.9
163.11189	4.6
163.14796	3.4
167.08461	3.1
169.10161	7.3
171.11732	7.5
173.11856	3.8
173.13271	10.5
175.11189	6.4
175.14833	5.0
177.12805	4.3
183.11607	6.3
185.13246	9.0
187.14815	8.4
189.11211	8.7
193.12198	7.7
195.11642	4.0
197.13290	7.8
199.14821	7.5
201.16495	4.2
211.14886	5.7
213.16566	3.1
227.12686	16.8
229.14293	4.0
239.16451	4.8
243.21069	3.6
261.22125	7.3
267.15958	23.0
269.18881	4.3
285.22076	3.0
289.21548	4.0
301.25247	11.6
303.23209	3.4
315.23206	3.5
317.24860	4.8
320.38840	2.6
335.25751	17.2
341.24738	2.6
363.25177	9.0
417.31635	4.8
435.27283	4.3
435.32428	19.7
453.33658	16.2
471.34567	11.3
501.35446	4.0
509.35950	6.4
527.37244	59.3
528.37549	3.9
545.30450	4.5
545.38342	53.1
559.39844	10.0
577.40210	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	577.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01850	6.5
55.05504	39.8
57.03415	14.5
57.07059	4.1
59.05006	3.9
65.03925	3.8
67.05495	88.7
67.52737	2.8
69.03409	7.6
69.07054	29.7
69.38637	8.2
69.39050	25.4
71.04977	14.7
74.15803	3.0
76.21419	3.6
79.05486	63.7
81.03425	20.1
81.07047	100.0
83.04966	5.0
83.08612	24.2
85.06539	13.1
87.04449	5.0
91.05470	57.6
93.07036	75.0
95.04958	17.4
95.08599	59.7
97.06518	12.0
97.10159	15.0
99.08077	5.1
100.05817	3.3
105.07023	52.8
107.08579	46.1
109.06530	7.2
109.10130	30.3
111.04482	3.4
111.08086	4.5
117.06995	18.6
119.08562	50.2
121.06480	4.2
121.10130	33.6
123.08033	7.2
123.11688	10.7
124.78902	3.3
125.09630	13.2
128.06209	4.7
129.06993	14.8
131.08554	36.2
133.10107	27.3
135.08080	4.2
135.11652	15.9
137.13225	5.0
139.11110	3.7
143.08545	20.3
145.10107	33.6
147.08037	4.7
147.11664	26.9
149.09622	5.9
149.13260	11.3
155.08614	8.2
157.10088	17.1
159.11678	20.4
161.13246	13.9
163.14787	5.1
165.12692	4.1
167.70441	3.0
169.10158	8.2
171.11682	12.5
173.13274	15.0
175.11143	4.3
175.14822	7.4
177.12782	5.3
183.11668	7.0
185.13240	12.9
187.14801	6.6
189.11145	8.3
193.12277	12.4
197.13261	6.7
199.13264	4.1
199.14900	6.3
201.16458	3.5
213.16399	4.3
227.12671	16.6
227.17834	3.7
243.21016	4.1
259.20731	5.2
261.18912	3.8
261.22131	11.7
267.15897	22.5
289.21634	5.7
299.23819	3.4
301.25204	9.1
315.23004	4.4
317.24561	3.9
335.25836	23.2
344.64276	3.3
345.39734	3.7
359.25555	4.0
363.25378	5.4
399.56277	3.2
411.96143	3.5
435.27127	4.2
435.32394	17.1
453.33731	17.7
471.34653	11.9
509.36267	4.8
527.37213	67.7
528.37372	4.1
545.38324	60.4
546.38971	4.1
559.39746	13.6
577.40460	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01851	3.3
55.05516	20.7
57.03436	3.0
57.07080	3.4
59.03831	2.1
67.05166	3.2
67.05503	46.6
69.07074	14.1
71.04992	5.3
71.59283	2.0
71.59712	4.0
77.86231	1.9
79.05125	2.4
79.05497	29.5
80.73502	2.0
81.03395	2.3
81.07056	53.7
81.57467	2.2
83.04975	4.7
83.08618	12.6
85.06541	2.8
88.34619	2.2
91.05476	27.2
93.07043	36.3
95.04937	6.1
95.08605	37.3
97.06528	2.2
97.10165	10.3
99.00811	2.5
105.07016	21.1
107.04972	2.9
107.08589	24.8
109.02868	3.0
109.06524	3.2
109.10147	22.1
111.08085	3.2
117.07024	9.8
119.08595	21.5
121.06537	3.5
121.10119	12.3
123.08091	2.5
123.11680	9.8
125.09613	7.7
129.07016	3.4
131.08560	14.5
133.10114	19.8
135.11710	12.0
137.13260	2.9
143.08560	7.4
145.10136	13.4
147.11682	8.7
149.09695	2.5
149.13245	5.0
151.11192	4.5
155.08583	2.9
157.10115	5.2
159.11679	8.4
161.09650	7.4
161.13220	6.1
163.11223	4.2
163.14859	2.7
167.08606	2.4
169.10190	3.3
171.11766	4.7
173.13287	9.6
175.14735	2.9
183.11586	2.4
185.13202	3.0
187.14885	4.3
189.11198	7.1
199.14862	3.6
210.92024	2.2
225.11244	5.4
227.12814	6.0
238.74841	2.7
243.12367	3.2
243.21147	2.6
259.20560	3.7
261.22119	21.3
277.21677	3.2
279.23230	3.2
287.23572	3.0
299.14923	13.7
315.23428	4.6
333.24121	3.0
335.25729	13.6
390.70432	2.3
421.30914	4.0
449.30496	6.9
457.33359	3.4
467.31583	7.9
485.32608	9.1
513.35858	5.6
531.36841	7.7
541.35248	18.1
545.38562	5.6
559.36060	25.3
577.37097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.1
54.86284	2.4
54.89325	2.1
55.05506	25.9
57.03426	3.8
59.04980	2.5
65.03935	4.7
65.97530	2.5
67.05501	61.9
69.03416	3.5
69.07072	12.0
69.77837	10.1
69.78257	3.9
71.04983	3.8
74.88789	2.5
79.05492	32.7
81.03422	3.9
81.07052	53.5
81.31458	2.1
83.04983	4.8
83.08600	11.4
85.06539	4.9
91.05472	36.4
93.07037	40.5
95.04965	7.1
95.08609	38.7
95.09173	4.4
97.06504	3.0
97.10191	12.4
99.00809	4.3
102.96361	2.4
103.97078	2.5
105.07037	31.1
107.04946	6.2
107.08582	26.9
109.02891	4.2
109.06537	3.6
109.10153	25.9
111.04491	3.9
111.08057	6.4
117.06989	11.0
119.08581	18.9
121.10149	17.8
123.11697	9.5
123.18335	2.4
125.09627	12.0
129.06999	3.8
131.08551	16.0
133.10109	34.5
135.11699	14.8
137.13261	4.3
143.08571	6.9
145.06506	2.5
145.10083	14.0
147.11671	8.6
149.09615	3.9
149.13242	4.9
151.11185	8.5
157.10144	6.4
159.11710	7.7
161.09618	10.3
161.13239	6.2
163.11121	3.9
171.11710	4.5
173.09651	3.3
173.13281	6.8
175.14890	2.8
179.10632	4.5
183.11652	2.9
185.13309	5.9
189.11302	6.4
215.12762	3.2
225.11244	7.3
227.12848	11.1
231.17554	2.5
243.20961	2.7
259.20547	4.4
261.22159	18.7
277.21613	3.9
279.23242	3.3
281.13791	4.9
297.22223	2.7
299.15082	15.1
315.23215	5.9
335.25821	11.6
413.55423	3.3
421.31110	4.5
439.32379	3.8
449.20538	2.3
467.31491	9.5
485.32574	7.3
513.35498	8.3
531.36719	8.6
541.35583	18.8
545.38995	3.1
559.36230	20.8
577.37091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57136	0.3
52.98572	0.4
55.05507	0.7
61.41745	0.3
62.17242	0.4
65.03922	1.4
67.05482	0.6
67.78982	0.4
69.03400	1.5
69.83862	2.1
77.03895	0.6
79.05471	1.4
81.03413	2.5
81.07041	0.9
83.04951	0.7
85.02882	1.0
89.03907	0.9
91.05470	20.3
93.07020	1.1
94.62659	0.3
95.04953	0.6
95.08587	0.5
99.04392	0.5
103.05422	0.7
105.03403	0.7
105.07037	2.0
107.04937	0.7
107.08593	3.3
109.02872	0.7
109.06513	0.7
109.10115	1.4
116.98599	0.4
119.04929	28.6
119.08574	1.0
120.05247	0.4
121.10146	2.1
122.07274	1.1
129.03362	0.6
131.04869	0.5
131.08516	0.4
132.02045	1.2
133.10115	15.4
135.04344	0.4
135.08017	1.6
136.05171	0.4
137.09599	8.8
145.02847	0.8
145.10109	0.4
147.04393	24.6
147.11722	0.4
148.04918	0.4
149.02350	1.0
149.13231	1.5
157.03905	1.9
162.99292	0.4
164.04666	1.1
173.13229	0.7
175.03886	45.1
176.04271	0.9
177.05388	0.5
179.07037	2.1
191.14296	5.4
192.04160	0.6
207.06502	100.0
208.06836	1.5
225.07584	1.2
243.10773	0.4
337.89404	0.4
351.10666	4.2
369.11694	5.8
517.22455	0.9
577.32806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59513	0.3
56.07402	0.2
60.48193	0.3
62.79802	0.2
70.88660	0.7
78.77646	0.3
136.41313	0.3
167.03279	0.3
175.03609	0.8
189.05188	2.2
191.08058	0.3
202.61581	0.3
205.08463	0.3
219.06276	5.8
234.08594	37.3
235.09203	1.2
247.09381	0.7
252.09706	0.7
267.06396	0.4
283.05948	0.6
309.07385	0.3
313.07043	4.2
335.11115	0.6
337.07010	1.0
365.12018	0.4
397.09204	0.3
401.15695	0.4
409.53604	0.3
431.16736	26.9
432.17041	0.5
457.11230	0.4
534.20953	0.3
536.08142	0.3
577.22498	100.0
578.22778	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	575.6121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	29.2
57.07067	71.4
57.42464	4.1
63.47118	4.0
65.00493	4.7
67.05497	44.2
69.07059	64.6
69.27606	50.0
71.04984	4.6
71.08620	66.0
75.42767	4.9
79.05476	13.6
81.07053	78.4
83.08616	54.0
84.71842	4.5
85.10166	33.4
93.07040	8.5
95.08598	100.0
97.10163	54.2
98.20792	10.4
99.11726	8.0
109.10155	62.9
111.11703	41.2
123.11682	27.5
125.13271	23.1
133.81560	4.8
137.13242	14.3
151.14803	15.8
165.16359	8.1
212.26295	4.6
258.94086	4.8
482.39020	24.7
540.43115	10.8
557.60114	20.7
575.40973	20.6
575.49689	8.4
575.61005	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	577.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32588	3.2
69.33015	0.7
70.06562	0.5
71.82807	0.4
78.41460	0.3
79.22193	0.3
83.93161	0.4
84.08147	0.7
86.09705	0.4
153.01804	0.5
154.18346	0.4
155.89169	0.4
175.03687	1.2
189.05219	2.8
204.07397	0.3
219.06274	7.3
234.08621	43.2
235.09344	1.3
247.09413	0.7
252.09752	1.0
335.10971	0.9
391.04959	1.0
394.03748	0.5
409.06213	1.2
431.16745	26.1
517.08051	1.7
577.22540	100.0
578.23029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.4
55.05503	51.8
57.03422	15.9
57.07062	9.8
58.70039	5.7
65.03928	11.1
67.05170	9.1
67.05494	100.0
69.03429	6.5
69.07054	36.6
71.04972	22.8
71.59677	7.2
79.05486	87.7
81.03410	6.2
81.07039	92.5
83.04964	12.8
83.08596	27.6
85.06536	9.1
89.87878	4.8
91.05466	86.0
93.07032	81.8
95.04955	25.9
95.08022	9.5
95.08589	79.7
95.21600	4.9
97.06528	13.2
97.10141	24.1
99.08051	13.1
105.07012	62.2
107.04957	10.2
107.08592	50.0
109.06503	13.1
109.10120	32.1
111.08059	9.9
117.06981	37.6
119.08553	56.5
121.06485	9.1
121.10115	44.5
123.08060	9.3
123.11674	10.1
124.72311	4.8
125.09622	20.4
128.06194	11.9
129.06985	31.8
131.08556	53.3
133.10083	31.8
134.95972	6.7
135.08037	13.5
135.11685	14.1
137.09657	5.1
141.06946	8.8
143.08565	34.6
145.10081	52.5
147.08067	6.6
147.11671	14.9
149.09584	14.3
152.07091	4.9
155.08566	14.6
157.10110	31.6
159.11667	30.0
161.09622	10.7
161.13199	7.9
163.11156	8.3
165.12994	6.7
167.08655	5.3
169.10129	22.5
171.08101	5.1
171.11630	25.0
173.09618	8.9
173.13226	16.3
175.11147	11.3
175.14822	5.7
181.10109	12.2
183.11674	22.1
185.13219	21.5
187.11070	7.9
187.14774	10.6
189.11166	15.9
193.12270	9.0
195.11624	17.8
197.13191	13.8
199.14828	13.3
201.12611	5.3
208.86971	6.1
209.13289	11.5
211.13104	6.6
213.16318	7.1
221.13248	6.6
223.14854	8.1
227.12720	24.6
235.16986	8.1
263.08041	5.3
285.21997	6.7
291.19366	13.0
299.23730	16.7
301.21335	8.9
354.43533	5.8
415.29666	9.8
421.25754	7.0
431.68655	6.8
433.31128	29.7
451.31827	23.7
452.93393	6.3
461.28558	6.7
465.33762	5.9
469.33173	14.5
499.33630	7.1
507.34735	10.6
517.35480	29.0
525.35663	83.9
543.36786	85.7
557.38708	31.1
575.39734	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	572.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
57.07071	27.0
67.05501	1.8
69.07065	2.2
69.50715	3.3
69.51144	3.1
71.08627	26.8
73.06553	8.9
79.05502	1.1
81.07052	1.5
83.08601	4.0
85.10177	23.0
87.04468	7.0
89.06023	100.0
91.05463	1.5
91.07577	1.0
93.07027	1.3
95.08607	1.6
97.10162	2.2
98.21497	1.4
99.11726	2.8
105.07099	0.8
107.07054	5.6
107.08601	1.1
111.86178	0.9
117.09122	7.6
130.08626	2.9
131.07077	2.2
133.08595	50.6
135.10136	1.3
141.16367	5.7
161.11743	1.6
175.09766	1.0
177.11205	22.1
185.19000	7.2
188.57832	0.7
198.64662	0.7
205.98753	0.8
221.13780	3.8
226.21696	1.1
229.21574	8.5
234.90016	1.7
235.89836	1.0
239.14972	2.1
273.24161	5.1
276.91034	1.2
277.91217	1.0
283.17566	2.1
318.92343	0.8
319.92181	1.0
327.20114	1.0
332.92807	1.8
415.25305	2.5
555.41138	5.9
566.91119	5.7
567.91187	1.4
572.43579	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03656	6.4
69.83272	38.9
69.83691	12.1
71.04991	10.1
84.08134	37.2
84.51859	6.1
85.02888	16.7
89.03910	9.6
91.05475	12.1
105.07001	14.3
112.11240	9.2
117.03358	28.9
128.10693	12.9
133.06383	12.9
137.06004	12.9
139.13513	8.3
139.63620	7.9
145.02826	98.0
147.04388	11.2
149.05922	13.6
161.05939	8.9
163.07518	16.1
165.09087	21.6
167.07045	24.6
177.05450	100.0
179.07025	9.1
182.77487	8.5
193.08563	53.2
195.10042	8.9
211.09625	93.6
213.11211	15.6
234.11234	39.3
239.55588	7.6
245.91577	8.8
259.56595	7.9
378.23874	14.3
498.25638	10.9
549.60010	8.3
554.28748	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	572.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51154	3.6
55.05516	4.3
61.02924	4.3
64.60291	3.7
70.06591	20.4
71.04965	6.1
71.35485	5.2
71.35813	5.4
72.08154	5.6
74.20490	4.1
84.04509	4.1
84.08156	24.0
85.02901	15.1
86.09696	11.1
89.03925	9.2
91.05468	11.5
93.07037	4.5
99.90965	4.3
103.26743	4.0
105.07011	20.1
107.04948	11.5
112.11256	13.7
115.52203	3.9
115.61134	3.7
117.03359	19.6
118.04140	7.3
119.04947	9.7
121.06459	5.0
128.10738	7.1
129.13872	7.1
131.04970	4.4
133.06491	18.5
135.04411	4.0
135.08008	6.8
137.06004	14.6
139.03894	8.2
145.02841	55.2
145.06487	4.2
147.04414	10.1
149.05966	10.6
150.06734	6.2
151.07530	7.6
153.01817	15.8
155.11807	5.5
161.05946	6.7
163.03900	8.9
163.07571	18.7
165.09143	8.3
167.07013	29.9
175.03845	6.5
177.05495	62.0
179.07042	6.4
181.08542	8.9
193.08586	57.9
195.10193	6.0
196.61597	3.7
201.12422	4.9
211.09639	100.0
213.11208	12.5
234.11185	25.6
235.68504	5.1
235.71043	4.0
235.90002	4.0
361.16611	6.6
362.16806	5.0
363.17041	14.1
378.23282	4.8
498.25943	9.9
554.28632	45.9
566.91119	14.1
572.32104	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	571.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47374	0.3
56.96556	0.3
69.07031	0.3
70.06577	0.4
71.04990	0.5
71.27494	0.6
76.11698	0.3
79.05489	0.5
81.07051	0.5
84.08172	0.7
85.02883	0.8
86.09705	0.6
91.05488	0.4
93.07065	0.4
95.04958	0.6
95.84209	0.3
97.02878	0.5
97.06531	0.4
104.08574	0.3
104.10765	0.5
105.03362	0.4
105.07033	0.7
107.08617	0.5
109.10144	0.4
111.04490	0.3
112.11237	1.4
119.08599	0.4
121.06544	0.4
123.04446	0.3
127.03943	0.4
129.13860	0.5
137.06029	0.8
145.02824	0.8
146.97441	0.4
147.04451	0.6
149.05975	0.3
151.07610	0.3
153.01868	1.5
153.05501	0.4
155.11797	0.4
163.11238	0.3
163.97749	0.7
167.07043	3.4
177.05482	1.3
184.07341	0.7
203.05263	5.0
203.07037	0.3
205.98758	0.5
207.07980	0.7
207.09904	14.2
223.07571	0.3
224.24998	0.3
224.88057	0.5
225.09206	0.4
225.88814	0.4
234.11217	0.6
234.89978	1.2
237.10983	4.3
248.87941	0.5
249.09250	0.3
251.07115	0.5
266.88821	0.6
274.89346	0.4
276.90909	2.7
277.91205	0.4
288.17654	0.3
295.09628	0.5
318.92056	1.5
327.12259	0.4
331.92789	1.5
336.92984	0.4
357.18793	2.1
359.14941	4.2
360.15366	0.7
379.27057	0.3
387.19864	6.1
391.24506	6.5
409.25659	1.7
527.32178	0.3
547.90350	0.5
553.30267	0.8
565.90997	4.9
566.91284	1.4
571.30859	100.0
572.31201	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	571.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.4
67.05473	0.6
69.03414	0.8
69.07072	1.2
70.04684	1.5
70.05081	1.0
72.71106	0.4
79.05486	0.6
81.07046	1.1
84.08138	1.3
85.02878	0.9
91.05481	0.9
105.07033	1.0
109.02879	0.6
112.11218	0.8
114.57355	0.6
121.10123	0.9
135.15443	0.5
146.97409	0.7
153.01810	1.7
157.10141	0.7
160.79240	0.5
161.09775	0.6
167.07045	8.5
173.09587	0.6
177.05515	0.7
181.98849	0.6
184.07300	0.6
198.81764	0.6
203.03928	0.6
205.98807	1.5
208.20506	0.5
224.87869	0.6
225.88667	0.8
234.89954	2.8
248.87904	1.0
255.09140	0.9
266.88849	1.1
276.90982	5.3
277.91058	0.6
289.91757	0.9
318.92239	1.9
331.92929	1.8
337.94009	0.6
361.16458	0.6
373.20587	1.7
391.21506	8.4
391.26157	0.8
409.22009	2.7
529.89490	1.0
553.30042	0.8
565.91071	9.0
566.91187	1.9
571.28729	100.0
572.28748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.96553	1.1
60.93852	0.5
67.05479	0.6
67.45219	0.4
69.07070	0.6
70.17477	0.5
71.01016	1.2
76.46246	0.4
81.07060	0.6
82.66636	0.4
85.02895	0.9
91.05445	0.8
93.07030	0.7
95.04980	0.5
95.08597	0.8
105.07017	0.7
107.08671	0.5
110.03220	0.5
112.11236	0.6
121.95954	0.5
134.49625	0.5
137.05997	0.6
153.01819	1.5
167.07022	8.2
187.36372	0.4
205.98756	1.0
225.07863	0.6
234.89905	2.5
264.54797	0.5
266.89017	1.0
276.90994	4.2
289.91794	0.6
310.39542	0.5
318.92075	1.4
331.92905	2.4
361.16425	0.9
373.20340	1.1
391.21481	8.8
409.22040	2.1
471.38242	0.5
529.89569	0.7
553.30084	1.2
565.91071	5.4
566.91144	1.7
571.28723	100.0
572.29053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.108
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.32080	0.5
55.01871	0.9
69.03434	9.3
70.06594	0.8
70.76178	0.8
70.76537	1.5
79.01841	2.4
84.08150	0.9
85.02895	2.3
86.09721	0.5
90.41693	0.5
91.05467	1.5
92.90772	0.6
97.02888	16.7
105.03389	0.6
107.01342	0.9
107.99598	0.5
109.02818	0.6
112.11230	1.6
115.03933	6.0
119.04930	1.8
121.02824	1.2
125.02327	2.8
129.13878	0.6
130.72722	0.7
131.04938	2.0
143.03398	6.7
147.04398	4.3
151.03915	1.4
153.01820	100.0
159.04411	4.2
163.03897	2.0
165.01790	0.7
165.05446	1.6
167.07005	1.0
171.03023	0.6
175.03867	3.5
177.05435	2.6
179.03381	5.0
189.76099	0.6
193.04985	3.7
203.03322	1.2
205.04936	12.4
205.98851	1.1
207.02872	15.0
207.04697	1.1
221.04413	5.4
231.02835	3.8
234.90027	1.8
237.03934	1.1
249.03943	8.7
250.89481	0.8
259.09717	0.7
266.88983	0.8
267.04984	27.2
276.90958	2.9
285.05994	5.6
287.05484	30.6
289.91769	0.8
299.05600	1.0
311.05502	2.3
318.91809	0.9
327.59866	0.6
329.06543	1.7
331.92789	1.3
353.06616	0.9
378.99646	0.7
401.08826	0.7
553.30054	1.0
553.69421	0.6
565.91016	5.0
566.91632	0.8
571.27783	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	570.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
55.56658	0.9
55.93523	0.9
57.07075	63.7
67.05489	2.3
69.07065	8.7
69.28929	2.3
69.29341	9.1
71.08632	60.9
73.06553	5.3
79.05449	1.0
81.07034	1.7
83.08609	3.8
85.10179	37.9
87.04463	4.9
89.06028	100.0
91.05440	1.2
92.16872	1.0
93.07053	1.8
95.08598	1.3
97.10161	3.6
98.20769	2.4
99.11732	6.1
107.07074	5.5
107.08587	1.2
107.43534	0.9
111.11715	4.5
113.13283	6.3
115.09901	1.0
117.09144	6.8
120.77117	0.9
125.13252	3.0
127.14826	3.6
130.08641	3.3
131.07031	1.8
133.08600	68.0
146.97462	1.1
161.11758	1.8
177.11215	30.8
181.98798	1.0
195.12230	1.4
205.98601	1.3
221.13818	5.4
227.23599	1.8
234.89885	1.9
239.14896	3.2
271.26321	3.6
276.91074	3.4
283.17496	3.1
315.28897	5.2
316.90274	1.3
318.91919	1.9
327.20074	2.2
331.92798	2.2
344.54587	1.2
371.22763	14.0
553.43036	10.1
565.90881	7.2
570.45282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62368	0.8
69.81850	2.5
69.82268	3.6
75.90086	0.9
77.45924	1.0
78.04652	1.0
79.05495	2.0
85.02917	2.3
91.05455	3.6
93.07052	2.1
97.02876	1.6
103.05448	2.6
105.07020	8.2
105.85676	0.9
107.04948	6.3
108.05278	2.3
112.11268	1.1
115.05457	2.7
117.07005	2.2
121.06512	4.6
123.04327	0.9
123.08071	1.3
128.06192	1.1
131.04955	1.2
133.06494	9.0
133.10112	1.4
135.08049	1.3
137.05954	1.9
137.09631	1.3
143.08601	1.0
145.02827	1.6
147.04393	1.7
149.09583	0.9
151.07492	6.9
153.05569	1.1
157.06447	1.0
161.05984	9.1
162.06763	3.5
163.07568	1.8
163.35255	1.0
167.07040	15.0
171.08022	1.5
175.07538	4.0
177.09091	100.0
178.09471	2.2
181.08594	7.6
189.09114	5.5
193.08589	41.2
195.10120	3.5
203.10625	1.4
207.06505	1.5
221.11708	14.1
225.09068	1.9
257.11725	1.8
276.91229	1.5
283.09976	1.1
285.11258	2.1
315.12448	1.2
317.13828	2.6
341.14023	1.6
343.15402	3.8
361.16425	19.9
373.16476	1.6
451.69266	1.2
565.90826	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	570.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.9
66.64873	0.7
67.76334	0.8
69.03387	0.7
71.58525	1.2
73.02890	0.8
84.08128	2.1
91.05470	1.4
106.53359	0.9
107.04960	1.5
115.05426	1.2
117.03353	0.9
119.04855	0.9
121.46886	0.7
128.06200	1.5
129.06982	4.6
131.08568	5.6
141.06967	2.0
143.04951	0.8
143.08490	1.0
144.05682	1.4
145.02834	1.7
145.06451	2.3
147.04356	1.4
153.01831	1.4
157.06462	2.4
158.07266	1.1
159.08055	9.0
161.06046	1.3
161.09583	2.3
167.07043	1.6
170.07242	2.1
171.08011	1.5
173.05916	1.5
175.03864	1.1
175.07542	1.5
177.05482	2.5
187.07539	7.8
189.09148	3.8
193.08551	0.7
201.09048	1.3
204.07744	5.4
205.08524	0.9
207.06537	1.3
216.07753	1.2
218.09224	1.2
219.10089	3.1
221.11778	1.9
231.10147	2.7
233.11740	3.5
249.11200	100.0
250.11481	1.0
251.12868	4.3
267.12195	3.8
359.73199	0.8
398.34686	0.8
565.90967	2.6
570.28314	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	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15804	0.4
56.96551	0.5
59.41115	0.5
67.05494	0.8
69.03421	0.6
69.07055	0.6
69.88565	1.4
69.88974	1.2
79.05471	1.2
81.07030	0.5
83.87946	0.5
104.05795	0.5
105.07022	12.6
106.07335	4.3
126.73524	0.4
136.73869	0.4
140.19658	0.5
149.72774	0.4
153.01920	0.7
159.11639	0.6
185.04198	0.6
209.62558	0.4
232.90436	0.7
276.90701	0.4
313.70853	0.5
314.03061	0.8
315.03342	1.0
321.16675	0.6
406.09235	0.5
407.09521	2.8
407.23941	1.8
421.00424	0.5
481.24072	0.9
483.22000	8.4
523.95245	0.5
563.91669	1.9
569.29236	100.0
570.29681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.1
59.68229	1.1
69.03429	5.3
69.29728	9.3
71.04991	1.4
78.04705	1.4
81.07048	0.9
84.08112	1.2
85.02905	2.1
86.09699	1.6
91.05484	1.1
93.07037	1.6
95.04989	1.7
96.16381	0.9
98.20592	1.5
105.07013	2.2
107.04960	2.7
111.04414	1.6
112.12763	0.9
115.05436	1.8
117.07005	2.5
119.08589	1.7
121.02866	0.9
121.06502	2.6
123.04461	4.4
124.05145	1.1
131.04968	0.8
131.08601	1.0
133.06467	2.2
137.05956	2.1
145.02914	1.1
145.06502	3.3
147.08031	2.3
151.03918	1.6
152.04660	1.4
161.06018	1.6
163.07503	1.4
167.07030	100.0
168.07364	2.5
173.05878	2.2
175.07529	2.4
177.05467	1.8
181.08614	13.3
184.07301	1.6
187.07571	1.1
190.06239	1.3
193.08598	7.6
205.08600	8.1
207.10178	3.7
209.08040	1.1
211.09608	7.6
213.11147	1.5
217.89845	0.9
223.09659	2.7
235.09625	3.4
285.11252	1.4
303.12439	1.2
321.13123	1.6
340.57867	0.9
347.09357	1.6
407.27600	1.3
562.28802	1.1
569.17920	2.1
569.29218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.293
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
54.50885	0.8
54.61754	1.0
56.96559	1.0
63.34044	0.9
69.03405	1.3
70.80154	1.8
70.80524	2.2
74.07204	0.9
81.07056	1.5
85.02922	1.1
97.02910	1.3
102.25252	1.1
105.07076	1.0
107.08601	1.1
153.01837	1.9
177.05479	1.1
222.88429	1.1
259.08096	1.3
265.28421	1.1
274.91498	1.7
344.81229	1.1
407.24139	1.3
418.53894	1.1
469.73654	1.0
483.21942	6.6
563.91394	4.1
569.29401	100.0
570.29803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27928	1.9
53.03933	3.6
54.16678	2.0
54.30080	2.0
55.05499	8.6
55.20893	1.7
57.07055	8.4
57.60107	2.0
61.95636	1.9
65.03921	2.7
67.05490	19.0
69.07059	13.8
71.09986	4.5
71.55232	2.0
79.05487	23.9
80.06260	4.5
81.07046	32.6
83.04984	3.5
83.08592	5.3
85.06536	4.2
91.05473	46.6
92.06253	4.4
93.07034	48.1
94.07826	2.3
95.04958	47.1
95.08591	28.2
96.34749	2.0
103.05457	3.2
104.06169	2.1
105.07016	91.7
106.07816	2.7
107.08585	43.8
109.06516	4.4
109.10136	18.9
111.08055	2.6
115.05439	4.9
117.07001	29.2
118.07851	2.0
119.08565	100.0
120.09347	7.9
121.06474	2.3
121.10143	31.1
123.08058	17.6
123.11709	7.8
128.06221	10.9
129.06993	20.9
130.07764	11.3
131.08556	51.4
132.09357	11.6
133.10115	55.9
134.10887	3.8
135.08089	4.6
135.11673	16.4
137.09575	6.1
138.10388	8.0
141.06975	7.5
142.07774	18.5
143.08540	45.2
144.09352	15.7
145.06464	2.7
145.10115	87.6
146.10912	7.6
147.08005	3.3
147.11658	26.1
149.09604	3.5
149.13220	4.7
151.11237	3.5
153.06903	3.4
154.07750	4.0
155.08556	18.6
156.09329	15.6
157.08954	1.6
157.10098	47.3
158.10873	9.1
159.11673	41.2
160.12497	2.4
161.09633	5.9
161.13237	9.8
163.11107	2.8
163.14709	2.1
165.06990	6.5
167.08580	7.9
168.09323	6.0
169.10112	33.6
170.10886	9.5
171.11650	33.6
172.12459	7.9
173.13240	31.1
175.10983	2.8
175.14842	18.8
177.12749	7.2
179.08543	9.4
180.09346	4.0
181.10143	14.5
182.10834	7.1
183.11682	27.9
184.12439	5.0
185.13255	25.2
186.14008	9.4
187.14775	12.2
189.12744	4.8
191.14249	9.7
192.09421	2.0
192.14948	3.3
193.10112	12.6
194.10953	8.8
195.11667	20.8
196.12430	7.1
197.13255	29.1
198.14041	4.9
199.14772	13.0
201.12747	4.8
201.16353	8.6
203.14301	3.1
206.10880	5.0
207.11713	9.8
208.12482	3.7
209.13254	27.5
210.13988	3.0
211.14763	18.3
213.16425	5.4
217.15880	3.8
219.11725	3.5
219.17499	2.4
220.07970	2.1
220.12341	2.3
221.13176	8.8
222.13947	3.2
223.14807	10.4
224.15582	3.3
225.16354	7.0
226.17183	2.8
227.14287	2.2
233.13101	3.7
234.13992	2.4
235.14798	7.3
237.16357	8.0
239.17950	6.0
241.19591	2.2
245.13110	2.4
246.13895	2.6
247.14813	4.2
249.16321	5.3
250.17079	3.4
251.17926	3.5
255.20523	2.0
257.18921	4.5
261.16379	5.6
263.17706	5.6
265.19427	3.5
272.21289	2.5
274.91406	5.7
275.17838	4.7
277.19324	4.8
279.20996	2.7
281.18863	3.2
283.20444	3.7
285.22174	2.3
289.91537	2.1
297.21973	3.8
316.92905	2.6
323.23578	7.1
324.24069	2.3
338.25980	41.1
349.25223	3.2
351.26895	2.8
430.32306	17.2
476.36411	16.6
563.91467	9.1
568.42615	25.0
568.56586	4.8
580.92487	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	566.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.9
55.05499	9.9
57.03409	4.0
57.07060	7.1
57.31504	3.1
58.29469	3.2
62.06075	4.0
65.03934	3.5
66.22250	3.3
67.05487	13.3
69.03421	12.4
69.07053	35.2
69.87659	11.4
69.88076	10.1
71.04981	10.2
76.80836	3.9
79.05489	19.7
81.03405	4.4
81.07047	54.5
82.87609	3.6
83.04978	5.2
83.08611	7.9
85.02895	16.6
85.06548	4.0
86.09700	7.0
91.05465	14.6
93.07021	41.4
95.04945	6.2
95.08595	33.0
97.02859	5.9
97.06503	7.7
99.04439	12.6
103.05443	5.7
105.07012	23.8
106.04186	3.7
106.38522	3.3
107.04933	7.0
107.08584	64.1
109.06496	19.0
109.10147	35.0
109.71524	3.3
111.04438	6.6
111.08083	3.9
115.05438	4.2
119.04921	6.4
119.08578	18.4
121.06503	5.1
121.10135	73.5
123.04391	4.3
123.08081	20.4
123.11672	10.4
125.05998	5.5
125.09593	4.8
131.08531	4.7
133.02827	3.6
133.10114	15.8
135.11691	20.8
137.05942	13.0
137.13239	6.3
145.10109	11.2
146.97385	3.6
147.04457	7.5
147.11618	5.9
149.05969	4.0
149.09608	35.2
149.13225	8.2
151.03865	6.7
151.07545	12.6
151.11183	27.8
153.01787	4.7
153.05469	5.9
153.09145	6.1
153.12733	41.7
161.06015	7.6
161.09592	8.0
163.11179	20.5
165.12779	7.0
167.07028	37.3
167.10641	59.7
167.14345	19.8
175.07552	6.3
177.05499	6.3
177.09152	3.6
179.10649	18.8
181.12204	62.0
184.07353	12.0
185.11745	25.3
185.15393	5.4
187.07544	3.9
191.07031	4.1
197.11707	10.2
199.13310	33.6
207.10080	5.1
215.12735	9.3
217.19539	4.9
219.17485	3.9
221.31689	3.5
222.66951	3.5
239.16374	7.6
242.59029	3.4
243.09068	5.1
258.08728	6.2
258.11243	71.9
277.08496	5.0
307.40817	3.1
309.11014	4.4
315.22998	11.3
320.40112	3.5
321.11121	4.1
333.24197	100.0
339.12000	9.1
341.13812	7.8
351.25305	81.3
359.14844	12.4
369.26129	8.5
371.14600	5.1
537.91711	4.6
545.31281	4.1
566.38068	5.3
567.23010	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	566.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
55.05503	9.3
57.03434	3.5
57.07066	3.6
57.25584	2.5
59.04998	4.0
60.34205	3.0
62.06089	4.4
65.03931	2.9
67.05518	19.0
69.03419	8.6
69.07067	34.3
69.32848	27.8
69.61406	2.6
70.06587	4.6
71.04984	7.5
79.05476	15.6
81.03407	4.1
81.07050	55.1
83.04980	4.2
83.08614	7.9
84.08123	4.8
85.02882	12.3
85.06547	9.9
86.09682	6.0
91.05474	15.1
93.07037	40.6
95.04971	8.2
95.08605	31.4
97.06537	8.8
98.21450	4.8
99.04434	11.1
103.05476	3.6
104.10736	3.8
105.07007	17.7
107.04948	8.7
107.08582	63.0
109.06523	25.4
109.10149	38.4
110.03645	3.1
111.04448	4.4
111.08122	3.3
111.11733	4.2
119.04984	4.0
119.08597	17.1
120.33097	2.8
121.06488	7.2
121.10142	59.5
123.08057	18.9
123.11683	11.2
125.00002	3.1
125.09605	5.3
127.03849	4.2
127.07563	6.3
131.04881	5.4
131.08580	8.0
133.02829	3.1
133.06490	6.3
133.10107	24.2
135.08025	6.7
135.11681	21.7
137.05974	13.7
137.09570	8.1
137.13251	5.9
139.11203	6.8
145.02837	4.3
145.10086	4.1
147.04361	6.6
147.11671	8.8
149.05975	3.4
149.09610	29.6
149.13248	9.9
151.07545	20.1
151.11168	21.2
153.01802	6.9
153.05469	6.6
153.09125	12.0
153.12729	33.6
155.14278	3.7
159.11699	5.6
161.06015	6.6
161.09601	11.6
161.13271	4.6
163.11195	17.0
165.09195	3.9
165.12750	5.5
167.07048	23.2
167.10654	47.9
167.14301	12.0
173.13103	3.3
175.07547	4.7
175.11147	3.5
177.05441	6.5
177.09169	3.1
179.10629	26.8
181.12248	52.3
184.07326	7.9
185.11702	18.3
185.15398	6.3
187.07454	4.4
191.07030	5.5
197.11673	14.4
199.13303	19.4
207.06590	4.5
207.10204	4.8
207.17451	3.2
215.12801	10.4
219.17485	5.8
231.08067	3.7
239.16310	3.1
243.08852	5.3
243.12318	3.2
258.11255	34.5
261.09155	3.4
283.99216	2.9
287.23895	3.5
307.09332	4.7
308.10043	3.2
315.23050	13.7
333.24274	100.0
339.12253	9.2
341.13690	4.9
351.12378	5.1
351.25311	80.9
355.11636	3.3
359.14920	10.2
360.15439	3.3
369.26416	11.7
378.14865	3.3
442.91861	3.3
545.32257	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	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89738	1.7
53.03934	2.5
55.05501	9.0
57.07063	4.8
59.04979	2.5
65.03908	1.7
65.39092	1.7
67.05495	17.8
69.03426	4.0
69.07072	12.2
69.28492	16.9
70.51765	1.5
79.05487	17.9
81.07043	24.2
83.04980	3.6
83.08595	4.4
85.06532	3.1
91.05466	28.2
93.07028	37.9
95.04964	9.6
95.08596	29.1
97.06539	3.4
103.05426	3.4
105.07021	50.8
107.08572	26.3
109.06516	6.4
109.10132	21.4
115.05433	4.1
117.07008	11.5
119.08564	55.7
121.06516	2.8
121.10134	43.1
123.08053	13.9
123.11710	6.9
128.06213	6.5
129.06972	12.9
130.07774	4.5
131.08556	27.5
133.09119	1.8
133.10124	31.3
135.08047	7.4
135.11674	10.8
137.05916	1.7
137.09596	8.9
141.06995	6.9
142.07765	19.5
143.08533	27.2
144.09335	3.4
145.10100	38.9
147.08051	11.4
147.11679	11.9
149.09605	4.4
151.07576	7.0
153.07018	2.6
153.09135	2.3
154.07808	2.7
155.08527	12.3
156.09329	15.7
157.10110	40.1
158.10883	6.4
159.11687	18.7
161.09619	2.7
161.13185	7.9
163.11194	6.4
165.06992	5.6
165.09117	21.9
167.08545	7.8
167.10641	8.1
168.09366	4.8
169.10135	22.8
170.10921	6.7
171.11694	24.8
172.12376	1.8
173.09566	3.2
173.13223	16.8
175.11209	2.6
175.14822	6.4
178.07826	1.7
179.08534	9.1
180.09380	4.7
181.10095	12.4
181.12279	3.1
182.10934	7.5
183.11690	17.7
184.12427	2.3
185.13237	18.0
187.14827	6.1
189.12794	4.5
192.09297	3.7
193.10110	15.1
194.10941	9.1
195.11639	16.8
196.12492	6.3
197.13269	13.4
199.14832	12.4
201.12790	2.0
203.14316	6.1
205.10153	2.9
206.10866	8.7
207.11722	17.2
207.13773	5.2
208.12482	4.7
209.13255	18.8
210.14014	2.8
211.14871	8.8
213.16386	5.3
215.14204	3.1
217.10077	4.3
218.10962	1.9
219.11769	6.9
220.12456	5.2
221.13242	12.2
221.15396	36.5
222.14095	4.0
223.14775	9.5
225.16434	4.3
227.17894	1.7
230.10928	2.3
231.11725	5.3
232.12373	2.1
233.13225	8.0
234.14178	2.8
235.14824	8.4
236.15474	1.9
237.16403	5.6
239.18015	2.6
243.11617	4.0
244.12411	2.4
245.13261	6.2
246.14001	5.3
247.14754	8.3
247.17041	2.9
248.15646	2.7
249.16432	5.7
251.18117	3.8
253.19562	4.5
257.13174	2.0
258.14001	4.1
259.14899	7.4
260.15604	3.0
261.16412	6.3
262.17090	1.9
263.18045	7.4
265.19504	8.3
271.14832	4.8
273.16394	4.5
275.18015	5.2
277.19601	4.9
283.14893	1.8
283.20618	3.2
285.16101	2.3
287.17902	4.1
289.19623	4.7
291.21036	3.1
299.20322	1.9
301.19446	2.7
309.16443	1.9
313.19427	2.2
315.20950	4.1
317.22754	2.4
327.21039	2.3
331.24249	4.8
343.24121	1.8
357.25824	6.6
365.25040	2.0
385.28815	5.2
460.18878	1.7
473.34103	11.4
485.33902	3.1
529.38458	2.7
547.39502	12.0
565.40350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4035
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.02376	1.1
51.24223	1.1
53.03941	1.6
55.05507	7.4
57.07065	5.4
59.04985	2.0
65.03927	2.7
67.05502	15.3
69.03431	2.9
69.07059	12.6
69.35815	13.2
79.05488	16.7
81.07050	22.1
83.04971	3.6
83.08612	7.1
85.06539	2.2
91.05467	25.0
93.07038	29.2
95.04974	8.7
95.08602	22.2
97.06528	5.1
103.05434	2.4
105.07020	48.3
107.08576	29.3
109.06533	6.0
109.10143	18.2
111.08049	2.4
111.11703	1.5
115.05469	2.1
117.06987	7.7
119.08569	53.9
121.06481	2.7
121.10135	39.3
121.11011	2.0
123.08064	8.6
123.11701	5.6
125.05964	1.7
125.09620	2.5
128.06223	4.8
129.06987	9.6
130.07759	4.3
131.08545	19.6
133.10115	34.5
135.08060	4.2
135.11697	12.6
137.09628	5.6
139.11215	2.0
141.07004	5.8
142.07758	14.2
143.08537	23.2
144.09369	4.3
145.10109	36.9
147.08041	6.2
147.11678	9.5
149.09627	5.7
149.13257	1.7
151.07506	2.5
151.11148	1.7
153.06984	2.9
153.21262	1.3
154.07753	1.9
154.64734	1.2
155.08530	11.1
155.10638	1.7
156.09358	12.0
157.10112	35.5
158.10881	4.1
159.08018	1.7
159.11687	17.4
161.09619	2.5
161.13200	6.2
163.11194	3.7
165.06993	3.6
165.09114	8.6
167.08542	6.1
167.10661	12.1
168.09357	5.2
169.10101	18.3
170.10892	6.5
171.11671	21.7
172.12375	2.2
173.09639	1.8
173.13242	18.3
173.14650	1.6
175.11200	3.0
175.14828	3.7
178.07843	2.2
179.08524	9.0
180.09311	3.5
181.10092	9.6
181.12282	2.9
182.10896	7.0
183.11679	16.3
183.13223	1.8
184.12556	3.0
185.13252	16.3
187.14836	8.6
189.12697	2.8
191.08516	1.3
191.14299	1.6
192.09360	3.4
193.10141	10.4
194.10950	5.5
195.11679	18.0
196.12512	3.8
197.13246	16.7
199.11186	1.5
199.14780	10.5
201.12784	1.6
201.16399	3.0
203.14319	5.7
204.09346	1.3
205.10162	3.6
206.10876	7.5
207.11728	13.6
207.13632	1.7
208.12389	6.6
209.13266	16.9
209.15141	2.5
210.14034	2.7
211.14732	10.4
213.12749	1.3
213.16425	5.4
215.14290	2.8
217.10132	2.2
217.15831	2.3
218.11005	2.6
219.11746	5.1
220.12479	3.7
221.13264	12.7
221.15387	19.0
222.14058	3.7
223.14781	11.1
223.30310	1.2
225.12802	1.3
225.16356	6.6
230.11005	2.0
231.11684	5.0
232.12457	3.7
233.13234	10.0
233.15408	6.0
234.14052	3.0
235.14754	8.4
237.16380	7.4
239.17986	4.2
241.19386	1.6
243.11620	2.5
244.12451	2.8
245.13280	5.0
246.14044	3.8
247.14775	8.8
247.16963	1.9
248.15605	2.9
249.12897	1.8
249.16411	5.4
251.17999	7.5
253.19498	4.5
257.13425	3.5
257.18893	1.6
258.14035	2.4
259.14758	8.1
260.15613	3.6
261.16248	7.3
262.17065	2.0
263.17987	5.3
265.19473	4.6
269.13174	2.4
271.14706	2.5
272.15585	2.5
273.16406	4.7
274.17126	1.8
275.17932	4.5
277.19461	5.1
279.21204	3.0
283.20587	1.8
285.16312	2.4
286.16849	1.7
287.17792	3.0
289.19485	4.1
291.21078	3.3
295.20801	1.7
297.16562	1.7
301.19470	3.0
303.21130	2.2
307.20453	2.2
315.20975	1.7
317.22668	2.1
319.24249	2.7
325.19760	1.7
327.21024	2.2
329.22641	3.0
331.24170	3.7
335.23520	3.0
343.24191	3.3
347.23447	2.4
357.25839	3.6
361.25485	1.6
365.24579	2.5
385.28876	2.1
443.29037	1.7
473.33875	7.7
509.34225	3.4
529.38422	1.7
547.39319	17.7
565.40387	100.0
576.40851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.1
61.02903	6.1
65.03931	2.8
67.05472	2.4
69.58434	15.8
70.06586	13.2
81.03463	2.2
85.02881	5.5
91.05421	3.2
93.03370	2.7
97.02843	4.4
98.20692	3.4
107.04901	5.2
109.02845	7.0
111.04385	2.3
117.03363	2.6
119.04917	14.9
121.02856	44.5
121.03814	2.7
123.04439	2.6
134.05981	3.4
135.04466	2.6
140.48601	2.2
145.02827	9.0
147.04416	4.9
153.01852	4.3
159.41060	2.1
161.06020	2.8
163.03894	4.8
175.03893	4.7
175.53978	2.3
177.01833	2.8
177.05482	4.9
179.03329	4.4
187.03801	3.1
189.01781	11.0
191.03354	8.9
195.02870	14.4
199.03983	3.7
203.03317	12.1
205.04855	3.4
207.02930	12.7
207.06482	4.0
210.66710	2.3
213.05479	2.9
215.03336	7.2
217.04953	6.4
219.02869	5.9
221.04379	8.0
225.03726	4.4
227.03297	2.4
229.04881	6.9
233.04517	6.2
241.04965	3.6
243.03090	2.9
243.06456	2.1
245.04445	3.5
255.02856	3.1
257.04373	4.4
257.68945	2.1
267.06418	4.2
268.07291	7.0
269.04391	2.8
279.06543	9.0
280.07233	3.3
281.08051	6.8
283.06009	12.5
284.06787	2.7
291.06683	3.1
293.07773	4.4
294.05185	29.4
295.05963	96.8
296.06613	12.1
297.07465	14.1
305.07928	3.4
307.05972	72.3
307.09296	2.8
308.06699	25.2
309.03989	3.2
309.07471	24.4
313.06979	8.6
317.08047	6.0
319.05975	11.5
319.09238	2.3
320.06418	4.1
321.07562	42.7
322.08173	12.6
323.05551	4.0
323.09079	8.1
325.07022	97.8
326.07349	3.9
329.02753	2.6
333.07541	26.6
335.09021	16.1
336.06210	4.2
337.06970	79.7
338.07455	3.7
339.08630	2.6
345.07480	6.0
346.08542	2.6
347.09006	17.2
349.07022	48.1
350.07861	2.9
351.08640	29.6
355.08054	13.6
357.07336	2.7
361.06949	26.1
362.07468	3.4
363.08661	11.8
365.10110	12.8
367.08145	12.6
373.07043	6.9
374.07770	2.6
375.08725	14.2
377.10211	3.9
379.08047	100.0
380.08032	4.0
385.02161	11.7
385.06482	3.6
387.08401	7.0
391.08020	28.0
393.09189	2.5
397.09113	75.0
398.09396	4.2
401.10236	5.1
403.03122	4.3
403.08002	27.5
405.09607	8.5
409.09134	44.0
415.10397	21.4
417.09470	2.9
419.11115	6.6
421.09171	26.4
427.10242	32.3
433.09122	21.3
439.10226	25.0
445.11197	33.0
451.10266	33.2
457.11215	39.5
463.10068	6.5
469.11240	46.0
475.10452	12.7
481.11185	32.3
493.11234	35.0
499.12344	19.8
511.12286	40.5
526.27924	2.3
529.13318	43.7
547.14258	17.5
565.21564	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	565.1548
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
55.01887	0.7
57.03430	6.5
61.02905	1.6
62.11983	0.4
64.32747	0.4
68.99792	0.5
69.03406	1.8
69.36472	5.3
73.02912	13.4
77.44815	0.5
81.03400	0.8
85.02907	3.2
91.05468	0.7
93.13074	0.5
97.02895	1.6
98.21447	0.8
100.59387	0.5
103.03931	0.7
103.50049	0.5
109.02874	0.9
111.20549	0.5
115.03915	1.4
117.98053	0.5
119.04941	2.5
121.02859	7.1
133.02826	0.6
141.01813	0.9
145.02814	2.4
148.77457	0.5
149.02348	1.2
153.01808	1.0
163.03917	3.3
165.01816	7.0
167.03404	4.2
177.01816	1.6
177.05650	0.6
181.04973	0.8
183.02866	6.5
187.03838	1.5
191.03357	1.1
195.02925	2.9
205.04971	0.7
207.02843	0.7
229.04875	1.2
231.02858	0.7
239.06960	1.0
243.02974	0.7
267.06519	9.5
270.05225	2.8
271.05975	8.0
279.06598	1.1
281.05124	1.0
281.08069	8.0
283.05984	100.0
284.06714	12.8
285.07489	1.0
293.07971	0.7
295.06046	13.6
295.09604	2.0
297.04135	1.0
297.07520	2.9
305.07928	2.5
307.05954	2.5
308.06799	1.3
309.04010	1.7
309.07501	24.8
311.05502	0.8
313.07025	98.9
314.07388	2.0
320.06824	0.7
321.07562	2.9
323.05746	0.7
323.09088	16.4
325.07056	1.1
333.07495	3.2
337.07025	48.6
338.07361	1.5
349.07007	12.3
351.08771	3.1
361.07043	8.0
367.08102	28.2
379.08109	20.9
397.09155	25.1
415.10205	33.6
433.11279	37.1
434.11475	0.8
439.90900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1547
Annotation	Apigenin 7-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01873	5.8
69.03439	3.3
69.59045	2.6
70.06580	5.3
83.50298	2.4
85.02894	6.2
86.09726	3.4
91.05499	2.5
93.03418	3.1
95.28997	2.5
97.02904	2.7
98.20763	5.9
107.04945	4.9
109.02879	2.7
119.04922	13.3
121.02860	51.7
145.02831	6.0
147.04367	4.8
161.02409	3.4
163.03970	3.7
177.01813	3.6
179.03488	3.9
187.03905	4.5
189.01848	10.6
191.03391	6.5
195.02846	14.9
203.03397	14.5
205.04955	3.2
207.02852	16.7
208.07350	2.6
215.03387	7.7
217.04979	7.7
219.02879	7.8
221.04489	9.6
227.03426	3.2
229.05099	2.7
229.71106	3.1
231.02750	3.1
233.04478	7.6
239.03424	2.6
241.04951	3.8
243.02921	3.6
245.04298	4.0
255.03120	2.7
268.07330	4.7
279.06549	8.8
280.07300	3.3
281.07983	5.7
283.06021	9.0
284.06964	3.2
293.04895	2.6
293.08054	7.4
294.05307	26.1
295.06009	100.0
295.09375	5.7
296.06519	7.8
297.07550	10.0
304.07425	3.2
306.08832	2.7
307.05997	73.9
307.09460	6.5
308.06735	22.6
309.07501	24.6
313.07150	5.8
317.08160	6.6
319.06085	11.5
319.09357	3.1
320.06732	8.1
321.07565	47.9
322.08240	15.2
323.05441	6.8
323.08981	5.9
325.07025	88.5
329.08276	3.5
333.07596	31.3
334.08331	4.2
335.09048	24.5
336.06189	7.1
337.07056	65.2
345.07532	10.3
347.09149	14.8
349.07031	59.4
349.10059	2.5
350.07489	6.5
351.08627	34.5
355.07938	13.4
357.25836	2.8
359.09088	4.2
361.07034	30.6
363.08688	20.9
364.09143	3.2
365.10339	8.8
367.08133	11.1
373.07019	10.6
375.08755	16.5
377.10019	3.7
379.08093	96.2
385.07147	3.5
387.08682	7.7
389.10477	4.4
391.07990	48.6
397.09100	48.5
399.09076	3.2
401.10507	3.6
403.08115	26.6
405.09683	10.3
409.09207	70.9
413.99564	2.9
415.10547	19.5
417.09552	3.9
419.11615	3.0
421.09131	18.9
427.10284	64.4
429.09528	4.1
433.09155	21.6
439.10120	14.3
445.11035	32.4
450.62500	2.6
451.10251	33.3
457.11060	32.0
463.09973	8.0
467.73489	2.7
469.11279	41.3
475.10413	12.7
481.11331	45.4
493.11310	35.9
499.12393	31.9
511.12390	63.7
529.13428	56.4
547.14349	28.8
565.15363	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	563.2664
Annotation	Protoporphyrin
Peak:m/z	Relative Intensity
53.30458	0.9
64.24639	0.9
65.44973	0.9
69.03413	1.3
69.07059	1.1
70.06562	1.3
70.72287	1.5
79.05460	1.4
81.07056	1.0
85.02898	1.7
93.07018	1.8
97.02837	1.3
105.07022	1.2
107.08567	1.2
116.98605	1.1
127.36808	0.9
133.10109	1.4
137.09581	1.0
145.10133	1.1
153.01788	1.5
179.54802	0.9
274.44980	1.0
365.10571	3.7
401.21735	1.1
475.21509	24.5
475.28253	1.3
563.26666	100.0
563.34790	7.0
564.26697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
54.67631	3.9
55.05506	37.4
55.76632	3.9
57.03419	11.1
58.66493	3.9
67.05165	6.4
67.05499	89.1
69.03404	5.7
69.07053	32.3
69.39768	34.7
71.04978	7.0
77.01605	4.4
79.05483	62.8
81.03407	17.0
81.07051	100.0
83.04980	8.2
83.08618	20.7
85.06557	5.1
91.05471	56.2
93.07038	68.6
95.04966	9.4
95.08598	79.7
97.06505	12.2
97.10147	16.9
98.21509	7.8
99.08082	5.0
105.07032	53.2
107.08591	41.2
109.06524	6.0
109.10150	35.7
111.08049	5.1
113.15334	4.4
115.05482	4.3
117.07001	14.6
119.08582	46.3
121.10124	38.4
123.08033	5.2
123.11655	9.3
125.09644	9.6
129.06996	7.1
131.08534	27.9
133.10106	26.6
135.08047	6.5
135.11658	16.8
139.11134	6.8
143.08514	14.5
145.10124	31.1
147.11636	26.6
149.09575	6.9
149.13290	8.8
155.08551	5.3
157.10159	12.8
159.11673	20.6
161.13252	12.9
163.14775	5.1
169.10095	5.3
171.10251	4.5
171.11702	12.5
173.13248	15.0
175.11186	5.4
175.14838	9.1
183.11705	6.3
183.26709	4.1
185.13303	8.8
187.14798	4.3
193.12328	8.3
199.14844	5.9
201.14743	4.3
201.16435	4.9
201.70879	4.0
203.12611	6.8
204.63335	3.8
212.05942	4.9
213.14621	4.7
227.12737	6.4
267.15781	10.0
271.20584	6.7
277.21869	4.7
285.16675	4.7
287.23587	9.4
289.21561	10.0
301.25214	9.0
303.23273	5.6
335.25864	12.2
363.25067	7.5
387.61618	5.8
390.63156	4.9
435.32526	11.4
453.33337	16.8
461.89005	4.0
471.34622	12.4
527.37299	39.0
545.38251	63.2
563.39362	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	563.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05588	0.3
69.31073	1.2
69.31501	1.7
72.08150	0.7
84.08127	0.3
91.05466	0.4
98.06054	0.3
107.04933	0.3
114.10298	0.3
131.12903	0.8
145.06409	0.4
147.04353	0.3
154.13280	0.3
157.10870	0.3
159.04175	2.2
167.07047	1.6
173.05957	0.4
175.03900	0.4
177.05472	0.7
185.04181	0.7
201.03703	0.4
207.06502	0.6
225.13756	0.3
233.07825	0.6
337.12671	1.1
351.10477	1.2
365.12146	0.9
366.12842	2.0
379.13379	0.4
401.15628	0.3
424.09326	0.3
527.13428	0.4
545.14789	0.8
545.25952	1.4
563.20911	100.0
564.21063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2094
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
53.31429	0.3
53.67035	0.3
61.21467	0.3
63.08128	0.3
70.06578	0.6
70.65852	1.2
75.78671	0.3
77.48901	0.3
80.98167	0.3
83.19029	0.3
91.05473	0.6
95.01105	0.8
96.01866	0.5
103.05499	0.3
107.04897	0.5
113.02095	0.5
119.04941	2.0
119.05672	0.3
134.09474	0.3
147.04407	1.3
153.01773	0.3
159.04173	2.0
167.07074	0.5
171.81065	0.3
175.03891	1.9
177.05453	0.9
185.04211	1.3
201.03651	0.6
203.05347	0.5
204.07620	0.7
205.04973	0.4
207.06514	2.2
282.93298	0.4
337.12704	0.4
344.39166	0.4
351.10492	0.7
365.12335	0.9
366.12857	1.3
367.13815	0.5
563.20825	100.0
564.21381	2.5
576.31934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08735	1.3
55.01879	1.6
55.05492	3.9
61.52351	1.5
67.05486	2.9
69.03416	2.4
69.07045	2.9
69.88431	8.7
70.06591	2.1
76.03989	2.4
79.05473	2.9
80.05003	2.2
81.07038	3.6
83.06082	3.0
84.04493	18.7
86.00635	2.4
91.05467	4.0
93.07021	3.3
95.04978	2.1
95.08579	3.4
97.10139	2.2
99.05540	2.6
103.27327	1.4
105.07045	2.3
107.06062	2.7
107.08562	2.3
109.06506	1.8
109.07631	4.9
110.98995	1.7
111.02626	2.4
112.02164	3.6
121.10015	1.4
123.08081	2.2
124.02166	2.1
124.04008	1.8
126.03732	2.5
129.06593	1.8
130.04962	4.0
131.08524	2.2
135.08102	1.7
136.02121	2.5
136.03909	5.8
137.00598	3.0
138.03653	2.5
140.01640	2.2
140.99997	3.1
145.06015	2.1
145.10045	2.0
152.01640	11.1
153.00133	1.5
153.01753	2.1
153.06573	5.1
153.99539	3.1
154.03183	1.9
155.08301	1.9
164.01610	14.6
165.00029	13.8
166.03214	2.1
170.02721	2.2
178.03210	4.8
179.01570	2.6
181.06067	5.0
192.08395	2.0
193.06123	1.9
193.56744	1.5
199.07216	2.1
206.09995	2.9
207.06548	3.4
207.08357	2.6
209.06291	3.1
210.09145	1.9
216.08365	2.6
217.06799	3.6
218.09895	2.4
219.04726	1.9
220.07947	2.0
234.09387	9.1
235.07712	13.2
236.08012	1.5
236.10924	4.3
244.07817	8.5
245.06096	1.8
246.09563	2.0
252.10579	7.0
257.07968	2.1
262.08966	18.3
263.07321	15.3
267.04306	1.8
280.09988	17.9
281.08347	4.9
294.11542	4.0
298.11142	4.5
301.09979	3.6
308.09583	8.4
309.12662	3.0
312.12552	12.8
319.11139	8.3
322.10876	2.2
330.13596	6.1
337.12106	35.2
346.11136	5.3
347.10834	1.8
355.13168	9.2
362.99783	2.0
364.00977	2.2
365.11636	13.6
369.14688	6.7
371.00748	3.5
374.25287	2.0
377.95120	4.5
383.12708	26.0
392.11609	3.3
397.14410	7.7
401.13715	2.8
406.98123	2.2
407.02905	21.8
409.14227	3.4
410.01425	4.1
415.15277	100.0
424.98959	2.6
425.04355	16.6
430.04294	3.8
437.13614	2.6
441.16797	2.0
449.04422	1.9
449.13831	1.9
455.14362	2.4
469.16513	1.7
487.17383	20.5
530.17981	2.1
561.32397	2.4
562.20905	9.9
562.32611	15.2
563.06732	3.3
585.93707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03929	6.5
55.01863	2.9
55.05257	1.7
55.05506	25.8
57.03430	2.6
57.07062	2.3
59.04974	1.4
60.53643	1.1
65.03927	4.4
67.05496	88.4
69.03425	2.7
69.07058	18.0
71.04985	53.2
74.66216	1.0
77.03922	2.1
79.05485	65.7
81.03407	2.1
81.07048	100.0
83.04963	12.6
83.08605	10.3
85.06525	8.6
87.04475	1.4
91.05471	62.9
93.07034	61.2
94.07467	1.3
95.04959	12.5
95.08598	37.1
95.72803	1.1
97.06527	10.2
97.10166	3.7
99.08072	2.5
105.07016	33.4
107.08579	35.1
107.09282	2.1
109.06505	3.5
109.10143	16.8
111.08093	4.1
117.06994	11.7
118.91219	1.2
119.08564	13.8
121.10131	26.2
123.08049	2.2
123.11691	22.3
125.09635	3.6
129.06960	2.0
131.08559	15.3
133.06554	1.2
133.09114	1.8
133.10112	30.8
133.11058	2.0
135.08086	1.3
135.11673	15.5
143.08557	2.1
145.10063	7.9
147.10646	1.0
147.11618	6.8
149.09676	1.8
149.13235	13.2
151.11159	16.7
157.10156	1.6
159.11671	13.3
161.13213	5.8
165.12709	1.3
171.11703	2.9
173.13255	4.8
175.14821	1.7
177.12782	4.5
183.13788	20.0
187.13286	3.0
187.14857	1.9
195.12039	1.2
195.13763	6.4
227.12926	1.2
227.16434	1.4
229.75159	1.2
243.21359	1.3
247.73456	1.1
257.17648	1.7
261.22202	3.9
269.17563	3.4
283.19098	2.4
285.16913	6.4
335.25763	1.4
349.27509	1.3
361.27426	3.1
363.25461	3.9
463.83493	1.1
517.38885	26.9
529.38812	12.8
543.37048	2.1
561.41339	73.6
562.41876	2.1
577.13348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01868	4.0
55.05505	24.3
57.03427	6.1
57.07069	3.0
59.04978	2.5
61.30039	1.5
61.30348	1.3
65.03932	5.0
66.20926	1.6
67.05499	85.6
69.03397	2.9
69.07061	21.6
69.76182	1.4
70.84166	4.6
71.04986	47.2
79.05482	76.1
81.03415	3.2
81.07048	100.0
83.04974	10.4
83.08617	16.5
85.06531	7.0
85.19920	1.4
91.04893	1.9
91.05473	55.2
93.07033	79.4
95.04963	9.0
95.08598	56.1
97.06509	9.7
97.10159	4.5
99.08050	2.0
105.04513	2.6
105.07018	39.8
107.04905	3.5
107.08583	40.6
107.09284	2.5
109.06543	6.1
109.10150	21.6
111.08097	4.0
113.09618	1.4
117.06990	13.8
119.08559	19.5
121.06528	3.3
121.10130	30.0
123.08120	2.1
123.11699	19.5
125.09654	1.9
129.07014	5.0
131.08559	21.1
133.10117	30.5
133.11066	2.1
135.08069	3.0
135.11679	29.0
137.13231	1.6
143.08554	2.9
145.10115	17.6
147.11681	9.1
149.09622	2.4
149.13231	12.1
151.11171	12.5
155.08582	1.8
157.10127	4.4
159.11664	14.3
159.12607	1.2
161.13246	8.1
163.11180	14.0
163.14842	2.7
167.14355	1.8
169.10246	2.5
171.11703	3.4
173.13246	9.2
175.14801	2.9
177.12761	2.2
179.14377	1.5
179.34319	1.4
181.12221	3.2
183.13795	12.4
183.76483	1.5
185.13316	1.9
187.13335	2.4
187.14832	3.6
195.12161	1.6
195.13721	6.8
197.13315	1.8
199.14861	2.1
201.16374	1.7
227.12747	24.4
227.16341	1.8
243.21184	4.6
253.17928	1.7
259.20456	2.5
261.22186	13.8
269.17731	3.5
283.15509	9.5
283.18634	2.1
285.17035	3.7
299.23752	1.6
317.24890	2.9
335.25769	16.3
349.27328	2.1
361.27451	3.1
363.25284	2.4
366.07608	1.5
437.34103	3.3
455.35284	2.0
511.38272	1.6
513.55402	1.5
517.38831	21.5
529.38879	34.6
530.39441	2.2
543.36969	10.0
561.41235	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	561.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.3
53.03931	5.5
55.01859	2.6
55.05506	20.6
57.03428	4.0
57.07061	2.8
59.04991	1.8
61.02922	1.7
65.03923	4.5
67.05497	84.0
69.03406	2.3
69.07059	16.7
71.04991	60.0
79.05486	70.1
81.03398	2.2
81.07047	100.0
83.04972	11.5
83.08604	11.0
85.06537	4.8
91.05470	70.6
93.07033	61.1
93.07622	3.1
95.04959	12.4
95.08598	38.2
97.06526	8.3
97.10182	1.8
99.08087	1.8
101.91109	1.4
104.56004	1.4
105.04523	1.8
105.07018	32.4
107.08589	37.4
109.06487	4.3
109.10147	15.9
111.08047	3.1
117.07022	11.9
117.85988	1.5
119.08573	11.0
121.10132	24.9
123.08023	2.3
123.11691	17.7
125.09639	1.9
129.07001	1.9
131.08574	13.8
133.06161	1.4
133.10114	30.0
135.11670	17.7
143.08548	2.1
145.10098	5.6
147.11668	6.3
149.13237	14.1
151.11186	15.6
153.12723	1.4
159.11690	13.2
161.13232	5.3
163.14772	2.0
169.12271	1.6
171.11736	1.6
173.13315	3.4
175.14861	1.7
177.12775	4.9
179.14412	1.5
183.13789	23.1
187.13255	3.4
187.14793	2.4
195.13808	8.9
213.14813	1.7
227.16493	2.3
230.21265	1.3
257.17688	1.3
261.22153	3.3
269.17386	2.5
283.19080	2.4
285.17090	3.7
298.82181	1.4
335.25800	2.1
361.27264	3.4
363.25320	2.9
437.34540	2.5
511.37753	1.8
517.31647	2.4
517.38910	31.8
529.38770	17.1
561.41437	79.9
562.41162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01857	6.1
55.05505	27.8
55.40775	1.9
57.03414	6.8
57.07054	2.4
57.21576	2.1
59.04984	2.1
65.03928	2.9
67.05495	71.6
69.03418	2.9
69.07066	21.1
69.65415	10.7
71.04985	10.9
78.60711	1.7
79.05480	53.4
81.03400	7.5
81.07048	61.7
83.04975	10.9
83.08605	14.6
85.02905	2.7
85.06541	2.7
91.05470	43.1
93.07030	57.1
95.04942	11.3
95.08601	38.7
97.02872	3.8
97.06512	8.3
97.10166	11.6
99.08071	3.8
100.96485	1.7
105.07021	38.0
105.07674	3.2
107.04939	3.9
107.08588	39.8
107.21695	1.8
107.56746	1.7
109.06515	7.1
109.10143	28.5
109.10829	2.9
111.04432	8.0
111.08068	5.9
115.05475	2.1
117.06997	17.1
119.08566	28.6
121.06460	4.0
121.10119	24.5
123.08054	6.2
123.11684	8.1
125.09613	7.3
128.06230	2.2
129.06992	8.8
131.08554	22.3
133.06477	2.1
133.10107	27.6
135.08051	5.4
135.11662	17.2
137.09596	2.6
139.11137	3.0
141.06993	3.6
142.07767	2.0
143.08585	8.3
144.56213	1.9
145.06418	2.7
145.10106	23.3
145.11150	2.8
147.08057	2.3
147.11690	12.2
149.09598	6.7
149.13245	6.3
151.11191	8.3
153.12688	3.3
155.08549	4.0
157.10062	8.5
159.08089	2.0
159.11659	14.6
161.09612	3.4
161.13278	5.4
163.11191	8.9
169.10130	4.5
171.11668	7.1
173.09599	5.7
173.11800	3.1
173.13174	8.7
175.14903	3.2
177.12732	3.0
181.12192	5.4
183.11693	4.9
185.13239	6.1
187.14876	4.2
189.11229	3.1
191.10663	5.2
193.63318	1.8
195.11626	1.6
197.13307	3.7
199.14864	2.9
201.12840	2.5
201.16336	2.6
209.11658	23.2
227.12714	12.4
229.14336	3.0
241.19646	2.7
243.21033	2.2
253.14317	4.1
259.20563	6.4
261.22107	8.4
263.16614	2.0
266.15521	1.7
273.22162	5.2
277.21808	4.6
283.15381	9.7
289.21713	2.2
299.23611	2.6
301.21622	5.3
303.23157	3.9
315.23190	7.9
317.21225	2.6
317.25009	3.1
333.24194	4.1
335.25739	3.8
341.24768	2.2
389.26926	2.2
415.29736	2.6
423.32175	2.2
433.30905	7.7
433.85681	1.8
451.31995	12.6
455.74945	1.9
469.33154	14.2
487.34250	9.6
515.36682	3.0
525.35681	17.1
533.37415	2.3
543.36737	62.1
561.38824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.3
55.01859	8.3
55.05509	30.1
57.03421	11.2
57.07063	4.1
57.98005	2.4
65.03922	5.7
67.05492	89.8
67.92553	2.5
68.59039	2.2
69.03387	4.0
69.07052	26.0
70.85185	5.5
71.04975	10.2
79.05482	73.6
81.03403	7.9
81.07045	92.2
83.04951	7.9
83.08598	13.2
85.02907	3.5
85.06500	3.9
91.05465	45.8
93.07026	88.1
95.04963	13.5
95.08591	86.3
95.09090	1.8
97.02872	5.2
97.06508	13.3
97.10129	11.8
99.04429	3.2
101.06015	2.5
105.07024	33.8
107.04942	10.0
107.08582	62.9
109.06480	5.4
109.10133	33.5
111.04404	3.3
111.08094	5.8
113.06007	2.4
117.07010	25.9
119.08560	33.1
121.04002	2.3
121.06488	4.5
121.10126	43.1
123.08042	6.9
123.11659	14.0
125.09582	5.2
129.06963	4.8
130.07841	2.8
131.08540	23.9
133.10101	25.3
135.08044	3.6
135.11662	67.8
137.09624	4.3
137.13251	2.9
143.08569	3.8
145.10109	43.9
147.07986	3.4
147.11642	9.6
149.09590	6.1
149.13225	8.0
151.11107	4.0
153.09143	2.6
155.08513	4.5
157.10106	3.9
159.11772	13.0
161.13237	8.3
163.11166	54.3
163.14810	5.7
169.10071	3.3
171.11601	4.1
173.09619	5.6
173.13185	7.3
181.12215	11.7
183.11655	2.8
185.13184	2.8
187.14743	3.1
189.11206	2.6
191.10619	5.8
199.14740	2.7
209.11711	8.3
213.16437	2.9
227.12752	100.0
229.14236	3.1
243.21051	6.3
261.22128	26.6
277.21817	2.9
283.15387	45.5
299.23715	3.1
315.23199	3.4
317.24698	9.3
318.36450	2.5
333.23969	2.9
335.25760	56.0
433.30881	3.2
451.32175	6.6
469.33044	5.9
487.33978	2.9
525.35199	7.2
529.39008	3.2
543.36713	55.8
561.37946	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	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01846	5.6
55.05508	12.8
57.03421	5.6
57.07068	1.6
65.03920	2.0
67.05497	42.8
69.07062	11.2
70.84423	2.8
70.84764	3.6
71.04968	3.9
72.56192	1.4
79.05051	2.8
79.05482	37.9
81.03405	2.1
81.07049	45.9
83.08582	8.6
91.05475	12.6
93.07033	58.1
95.04937	6.8
95.08598	51.4
97.02888	2.9
97.06509	4.1
99.04429	5.0
99.08105	1.6
105.07001	15.8
107.04932	5.9
107.07869	1.8
107.08585	34.3
109.06550	1.7
109.10125	14.1
115.05497	1.9
117.07001	7.9
119.08556	11.4
121.06459	3.4
121.10123	20.5
123.11655	4.3
125.05939	3.1
130.07716	2.7
131.08527	6.1
133.10121	6.7
135.08090	2.5
135.11671	48.6
137.13158	2.4
145.10109	27.2
147.11668	2.2
149.13249	5.5
159.11693	3.2
161.13307	3.9
163.11176	43.0
163.14795	2.6
173.13278	4.4
175.14781	1.7
181.12213	10.2
185.85062	1.6
187.14825	2.3
209.11655	2.6
227.12756	100.0
243.21016	6.4
261.22098	26.4
279.23267	3.1
283.15369	38.7
303.52377	1.8
317.24750	9.8
317.27774	1.8
335.25763	50.8
469.32834	2.9
543.36707	29.7
561.38672	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85725	1.5
53.03926	2.3
53.08046	1.5
55.01856	3.9
55.05503	18.2
57.03426	10.4
57.07072	3.5
65.03924	2.7
67.05498	59.4
69.07062	12.3
69.56135	1.4
70.18031	5.5
71.04986	10.7
79.05483	51.4
81.03390	2.4
81.07047	69.7
83.04963	5.4
83.08604	11.6
84.62090	1.3
85.06522	2.2
91.05463	28.2
93.07030	72.2
95.04967	9.4
95.08597	60.0
97.02871	3.3
97.06506	4.7
97.10156	2.5
98.22183	1.5
99.04428	4.4
99.08080	2.1
105.07004	19.9
107.04905	6.4
107.08578	44.6
108.88743	1.3
109.06494	4.6
109.10146	18.7
111.04431	2.0
111.08075	2.2
117.07002	13.5
119.08564	16.6
121.06462	4.5
121.10119	25.9
123.11711	9.5
125.05973	2.5
125.97001	1.3
128.29025	1.3
130.07767	2.7
131.08533	11.8
133.10129	16.4
135.08061	1.6
135.11679	48.3
137.13297	1.4
139.07559	1.6
139.11168	1.4
143.08493	1.5
145.10100	35.3
147.11719	6.6
149.13245	10.1
151.11186	2.4
159.11696	9.5
161.13211	6.7
163.11153	48.4
163.14836	3.1
171.39780	1.4
173.13228	6.4
177.12842	1.8
181.12213	11.8
183.13753	2.0
187.14809	3.0
227.12746	100.0
241.19824	1.7
243.21083	7.5
261.22064	30.8
283.15353	35.3
305.24731	1.3
317.24762	11.6
335.25772	74.8
517.38733	4.0
529.38879	5.9
543.36713	35.3
561.40936	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01852	7.6
55.05501	30.9
57.03415	7.8
57.07067	3.8
65.03951	6.0
67.05501	100.0
69.03429	5.9
69.07066	26.4
69.86020	9.2
69.86432	4.9
71.04990	15.3
72.35425	2.4
79.05482	61.1
81.03409	5.3
81.07050	87.0
83.04986	12.9
83.08625	16.1
85.06544	5.5
85.10202	3.9
87.95611	2.3
91.05473	57.6
93.07036	78.6
95.04956	18.4
95.08599	55.8
97.02859	2.9
97.06531	10.8
97.10157	12.0
97.14048	2.4
98.20812	3.8
99.08105	2.5
105.07024	48.8
107.04945	5.7
107.08576	47.2
109.06509	11.4
109.10149	41.2
111.04404	5.9
111.08059	4.9
117.06998	23.2
119.08570	39.3
121.06462	4.6
121.10129	30.1
123.08047	6.2
123.11706	11.4
125.09636	4.6
129.06976	10.6
131.08565	31.6
133.06500	6.1
133.10098	35.8
135.08051	10.7
135.11690	21.4
137.09601	6.6
141.07089	3.7
143.08539	10.4
145.06429	5.0
145.10120	24.1
147.08029	7.2
147.11667	17.2
149.09608	11.8
149.13223	9.5
150.32677	2.6
151.11165	7.0
153.09077	3.0
153.12778	2.9
155.08513	6.6
156.09299	2.7
157.10103	15.6
159.08037	5.2
159.11711	20.4
161.09642	4.9
161.13220	11.2
163.11127	4.6
163.14781	2.9
169.10124	7.1
171.11664	7.6
173.09619	3.9
173.11852	5.3
173.13257	13.3
175.11156	4.1
183.11668	9.2
183.13757	2.4
185.13232	4.9
187.11227	3.2
187.14844	4.5
197.13237	3.7
199.14778	5.7
209.11713	15.3
215.17770	2.9
223.14786	3.7
227.12746	6.1
229.14305	9.3
253.14236	4.4
259.20316	2.8
261.18173	2.7
261.22009	3.5
273.22122	10.4
277.21548	5.4
283.15503	5.3
289.21677	5.2
293.21014	3.5
297.22128	3.0
298.33755	2.4
299.20178	6.2
299.23615	3.0
301.21469	4.5
315.23196	16.3
317.21164	7.4
331.22977	3.6
335.25717	3.1
373.23706	7.9
378.45816	2.8
389.26700	4.6
391.24667	4.2
400.28027	3.0
433.31015	6.2
451.32138	15.2
453.05783	3.0
469.33112	17.9
487.34116	14.0
517.38867	7.4
525.35638	20.8
529.39264	2.8
543.36829	82.7
561.38654	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62618	1.3
51.40249	1.2
51.61040	1.2
56.96552	6.3
69.50806	2.6
69.51207	9.1
71.07986	1.1
74.72939	1.2
84.08107	1.6
85.02931	1.2
98.71943	1.3
98.97575	2.9
116.98618	5.1
123.12212	1.1
128.98608	2.5
131.00262	1.2
134.99640	2.3
137.05957	1.9
145.02844	1.3
146.99629	4.1
177.05490	2.8
184.00504	1.3
197.01173	2.3
237.02896	4.1
244.44614	1.5
285.04343	1.5
306.33752	1.5
310.62177	1.1
311.06027	2.2
313.03799	1.8
314.04477	1.8
326.04510	3.6
327.05280	5.8
328.05972	2.3
330.04160	1.9
331.05124	1.6
339.04962	3.1
340.06128	1.9
341.07013	5.2
342.07550	1.4
344.05588	1.7
345.06400	5.1
346.07156	2.2
354.07965	3.4
356.06091	1.6
357.06506	3.2
359.08194	4.0
369.10168	4.0
372.08786	20.4
381.25949	2.3
384.08820	5.5
387.11136	20.6
390.09793	26.7
397.09808	2.2
399.11212	5.8
399.19812	2.4
402.09824	4.0
403.10797	1.9
405.12146	20.1
410.13034	2.0
415.10611	3.6
417.12158	26.1
428.13803	2.0
435.13217	14.4
440.13712	2.6
459.12988	1.5
483.12939	1.7
501.14386	2.3
531.15448	11.3
561.17017	100.0
561.32013	36.1
562.17542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.9
55.05503	28.8
57.03416	11.7
57.07065	5.3
60.26931	3.7
65.03909	5.9
67.05494	100.0
69.03426	4.7
69.07050	23.7
70.93394	3.0
71.04960	3.4
71.33291	5.5
76.98885	3.0
77.41338	3.2
79.05479	94.1
81.03420	7.8
81.07040	79.0
83.04989	19.6
83.08606	12.4
91.05463	77.2
93.07029	84.4
95.04958	26.3
95.08590	66.9
97.06502	8.2
97.10162	6.0
105.07011	46.8
107.04934	7.5
107.08576	42.4
109.06516	5.3
109.10120	22.2
111.08027	3.7
117.06985	15.9
119.08575	31.6
121.10114	25.8
123.08002	4.6
123.11640	3.8
129.06964	19.1
130.53046	3.3
131.08563	23.5
133.10104	21.3
135.11658	18.6
143.08530	19.0
145.10103	20.3
147.11662	40.8
147.52191	3.3
149.12148	3.6
149.13243	13.4
152.85812	3.3
157.10179	3.4
159.11678	9.0
161.09598	3.5
161.13199	17.6
163.14810	5.1
169.10094	6.1
171.11639	28.2
173.13264	7.9
178.84914	4.1
189.12711	10.6
207.13797	19.9
243.21025	5.1
261.22137	18.1
279.15939	6.3
281.17447	42.5
317.24698	5.9
335.25757	28.4
449.34280	6.7
452.77374	3.7
457.83078	3.5
532.15271	3.6
541.38770	92.5
555.33911	3.6
559.40100	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01860	6.2
55.05504	22.9
57.03418	12.3
57.07073	3.3
65.03914	2.9
67.05167	3.8
67.05496	45.5
69.03419	3.8
69.07064	19.7
69.92373	11.9
71.04968	6.3
73.02959	2.5
79.05481	56.2
81.03400	4.6
81.07045	50.8
83.04962	5.3
83.08608	14.9
85.06539	3.3
86.89980	2.0
91.04884	2.6
91.05466	46.8
93.07029	72.6
95.04953	15.0
95.08596	62.1
97.02859	5.0
97.06510	8.6
97.10143	4.6
98.20782	2.7
99.04442	3.9
103.05479	2.5
105.07018	58.8
107.04962	10.5
107.08575	48.9
109.06481	4.9
109.10132	9.1
111.04469	2.2
111.08076	3.1
117.06997	25.7
119.08561	56.8
121.06467	7.3
121.10131	27.5
123.08074	2.6
129.05441	3.0
129.06992	7.9
130.07788	3.7
131.08568	26.5
133.09126	2.9
133.10112	40.9
135.08073	4.8
135.11674	62.2
143.08527	7.8
145.10100	46.3
147.11676	37.0
149.13228	8.9
155.08522	2.5
157.10101	11.7
159.11647	14.6
161.13226	33.8
163.11154	72.5
163.14880	3.7
171.11685	13.5
173.11929	2.5
173.13249	9.0
175.14786	18.8
181.12222	9.9
185.13208	9.0
187.14839	4.0
197.13327	3.1
199.14848	3.5
203.14336	2.5
209.11674	2.3
213.16429	4.4
227.10466	4.9
227.12738	100.0
231.21030	7.2
241.17253	2.0
241.19470	42.3
243.20950	2.7
259.20547	79.6
274.22186	2.0
275.20029	6.2
277.21674	2.2
283.15344	53.4
297.22299	2.6
315.23083	5.6
333.24164	77.9
378.45630	2.7
449.30359	2.4
466.06082	2.3
467.31046	4.0
541.35144	28.8
559.35791	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	559.2356
Annotation	Casteloside B
Peak:m/z	Relative Intensity
53.23354	0.4
54.25443	0.4
69.03368	1.2
70.06544	0.8
70.94894	0.7
70.95235	0.8
72.08112	0.7
73.02883	0.5
81.03346	0.6
84.08073	0.9
85.02843	1.4
86.09671	0.7
91.05421	1.1
93.06985	0.4
95.04947	0.3
97.02881	0.5
110.29843	0.4
112.11204	0.4
116.96014	0.4
118.12825	0.4
123.08012	0.6
127.03902	0.5
145.02840	0.6
147.04349	0.6
149.05919	0.4
153.01842	2.0
167.06898	0.8
177.05412	1.1
185.04094	1.0
187.14796	0.4
207.06468	1.0
235.13063	0.9
298.13770	0.6
324.73141	0.5
397.18301	100.0
398.18515	1.2
559.23572	70.9
560.24261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24244	0.9
55.01864	1.2
55.05508	7.8
55.40522	0.9
56.96564	0.8
57.03422	2.6
57.07074	13.1
59.04989	2.2
61.02922	4.4
67.05486	1.4
69.03432	10.5
69.07066	62.8
71.04990	5.9
71.08638	8.1
73.02927	1.6
73.06542	8.1
78.17807	0.9
79.05499	1.8
81.03415	4.4
81.07049	1.3
83.04951	0.8
83.08612	2.3
84.08162	1.2
85.02899	58.3
85.10172	4.8
89.05472	1.6
89.06030	30.2
91.03947	3.8
91.05457	1.8
93.07014	1.7
97.02888	17.7
99.04446	2.9
105.06990	1.8
107.08575	1.0
109.02888	5.2
110.59641	0.9
111.11716	100.0
121.06486	0.9
127.03917	13.1
129.12752	92.6
133.10107	2.9
137.09630	2.0
145.04936	16.1
153.01836	1.7
163.06053	5.6
163.11177	1.2
177.05577	1.0
199.16930	26.6
217.17993	30.5
225.75584	0.9
229.72618	0.9
230.60344	0.8
359.58459	1.1
378.26947	1.1
558.33942	18.1
559.27740	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	558.2802
Annotation	N1,N8-Bis(sinapoyl)spermidine
Peak:m/z	Relative Intensity
51.02381	0.7
56.96550	0.6
58.06564	1.4
65.03917	2.1
69.03414	0.7
70.06573	1.5
70.14108	2.4
72.08146	9.0
75.09190	0.7
77.03919	0.6
84.08115	1.4
85.02892	1.1
86.09676	0.8
89.03886	1.3
91.05469	31.0
92.56066	0.5
95.04920	0.8
102.19399	0.5
103.05428	0.8
105.03368	1.1
105.06987	0.9
107.04934	1.0
107.67010	0.5
109.02852	0.6
112.11233	4.2
117.03362	1.0
118.06532	1.1
119.04927	51.8
127.03895	0.9
129.03351	0.9
129.13892	2.3
131.04878	0.7
132.02045	1.6
133.02847	0.8
137.05984	1.1
145.02841	2.2
146.05981	0.9
146.16466	1.7
147.04391	43.2
148.04691	0.6
149.02284	0.9
149.05968	0.8
153.01820	2.8
155.11781	1.8
157.03944	4.0
161.05922	0.8
163.03891	1.0
164.04666	0.8
172.14388	1.3
174.05490	2.2
175.03885	88.6
176.04274	1.6
177.05444	1.5
178.05785	0.5
179.07016	3.2
191.03383	0.7
206.08173	1.6
207.06502	98.4
208.06850	1.8
211.09813	0.6
248.09200	0.9
252.81250	0.6
263.13907	1.0
264.12277	52.1
265.12494	0.9
278.13776	3.7
281.14786	1.0
334.21381	1.6
335.19556	3.5
352.22260	25.5
353.22574	0.7
378.20370	1.6
540.26721	1.6
541.25702	1.9
558.28052	100.0
559.28363	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	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63274	2.8
69.03413	6.5
69.88341	3.2
70.84072	9.0
74.15239	3.6
75.53536	3.0
79.05480	4.7
79.39877	4.5
83.10270	3.1
85.02896	9.7
90.12247	3.4
91.05458	18.6
95.04939	4.9
103.05426	20.5
105.07020	14.3
107.04943	26.9
115.05462	5.9
119.04942	19.4
121.06500	7.4
127.03880	6.4
129.06978	6.3
131.04919	22.4
133.02827	7.2
133.06473	8.2
135.08028	7.6
137.05960	100.0
147.04399	11.4
149.05927	10.8
151.07539	34.1
153.01787	9.5
161.05957	58.9
161.09573	16.6
162.06749	3.4
163.07527	74.6
165.09129	3.5
175.07558	13.1
177.05470	4.8
177.09065	15.6
179.07034	11.7
179.10599	3.2
181.08521	9.8
189.09065	41.6
195.07927	3.7
201.49751	3.5
207.10150	56.0
219.10188	9.1
221.11763	4.7
227.10783	6.3
241.08527	4.3
255.10179	3.7
281.11978	3.6
285.11197	5.5
287.12720	14.8
311.12726	13.1
313.14371	16.6
331.15338	33.6
343.15369	6.7
394.64716	3.7
428.45895	3.9
560.48730	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	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32597	3.3
66.58070	3.3
69.03421	8.5
69.69958	3.2
70.75478	10.0
72.08131	3.3
79.05460	5.1
81.03394	10.6
81.34787	3.2
84.08119	8.5
85.02908	16.9
91.05457	15.1
97.02856	8.4
99.04445	5.0
103.05446	9.5
105.07027	12.4
107.04963	30.7
109.02875	3.6
117.03339	5.9
119.04914	14.3
121.06464	11.6
122.03606	3.3
127.03903	6.6
129.06982	4.7
131.04898	12.7
133.02826	12.3
133.06462	15.6
135.08054	6.8
137.05962	100.0
145.02806	6.9
145.04971	5.5
145.06488	4.1
147.04436	18.7
149.05969	14.6
151.07527	28.0
153.01801	5.9
157.06470	4.2
161.05968	62.1
161.09593	10.0
162.06715	4.5
163.03873	3.5
163.07523	49.6
165.05385	4.3
165.09058	8.9
167.07043	5.5
175.07535	8.2
177.05347	19.5
179.07121	19.4
181.08583	10.3
189.09100	43.0
191.06953	9.1
195.08119	4.7
207.06537	9.4
207.10139	73.4
215.06937	4.2
227.10724	3.5
255.10150	5.7
267.10046	3.8
273.11160	7.7
285.11218	3.6
287.12732	7.6
291.12201	9.9
313.14343	9.5
325.14392	3.8
331.15280	30.0
343.15292	9.4
528.06866	3.8
533.01648	3.8
540.27161	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	557.6016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05505	22.7
57.07071	35.8
63.28443	3.1
67.05493	45.4
69.07063	35.9
71.08621	24.7
71.14282	6.1
79.05489	7.3
81.07048	75.7
83.08603	22.5
83.44870	2.7
85.10185	15.5
85.47033	2.8
87.17139	2.3
95.08596	100.0
96.37976	2.3
97.10162	28.0
109.10148	70.9
111.11699	20.6
112.12319	2.7
118.84626	2.7
123.11679	19.8
125.13278	9.8
137.13239	10.8
139.14731	4.5
151.14812	8.7
165.16388	7.6
234.89830	3.8
305.32019	3.6
333.34927	3.6
361.37805	5.3
394.18799	3.0
481.89484	4.1
551.89545	4.7
555.39948	2.7
557.46906	3.4
557.60138	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05506	19.3
57.03442	5.5
62.24028	4.0
63.90499	3.0
65.03932	3.6
65.98124	3.9
67.05498	37.8
69.07055	14.5
69.48583	27.5
70.78856	3.3
76.46431	4.1
79.05486	35.3
79.25201	3.3
81.07053	39.5
83.08612	11.7
91.05458	33.6
93.07029	30.3
95.04969	8.5
95.08595	27.0
97.06508	3.9
97.10167	4.5
105.07014	31.1
107.04939	5.2
107.08566	16.4
109.10162	9.3
117.06996	14.7
119.08559	28.5
121.10117	12.9
123.08068	4.7
128.06268	3.7
129.07004	14.6
131.08571	36.5
133.10127	15.3
135.11674	8.6
141.06978	8.2
142.07782	4.2
143.08556	21.8
145.10075	27.9
147.11679	15.7
155.08540	15.9
157.10136	15.6
159.11717	17.6
161.13252	11.4
163.11201	5.4
163.14822	5.0
167.08521	6.2
169.10115	19.2
171.11670	15.4
173.13232	9.8
179.08542	3.6
181.10088	12.0
182.10901	3.9
183.11678	15.7
185.13264	10.1
195.11696	11.4
197.13280	11.0
199.11241	3.7
199.14832	8.7
203.14427	4.2
209.13326	5.6
211.14813	9.7
213.16281	6.2
219.17409	5.0
221.13379	4.4
223.14830	5.9
224.88359	4.0
225.16545	4.1
227.12755	5.2
232.60364	4.2
235.14774	5.4
237.16376	7.0
241.19719	4.8
259.20557	12.4
276.91049	5.8
323.23422	3.7
368.84869	3.7
379.96689	4.6
419.32901	5.1
429.31418	5.4
437.34012	16.0
447.32492	28.8
465.33691	28.4
483.34653	15.8
521.36310	9.8
529.39124	4.9
539.37231	100.0
557.38678	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.05511	21.3
57.03411	4.6
57.07049	6.3
67.05502	47.1
69.07069	17.3
70.91663	8.4
79.05489	38.4
81.03409	5.9
81.07053	48.2
83.04955	3.3
83.08613	12.3
91.05476	41.5
93.07043	42.1
95.04973	10.5
95.08606	33.2
97.06492	4.3
97.10184	5.5
105.07011	33.5
107.04951	7.1
107.08568	21.0
109.06499	4.7
109.10156	16.4
111.08110	4.3
115.05423	4.4
117.07016	25.3
119.08576	37.4
121.06512	5.1
121.10151	11.8
121.17673	4.2
129.07011	20.2
131.08553	35.3
132.87979	3.4
133.10130	22.8
135.08104	3.9
135.11661	11.1
141.06956	6.7
142.07710	6.3
143.08527	27.9
145.02823	5.6
145.10121	29.4
147.11653	17.4
155.08548	22.8
157.10098	25.3
159.11690	16.3
161.13260	17.5
167.08583	13.5
168.09311	4.3
169.10088	21.2
171.11716	22.2
173.13264	12.1
175.14905	6.4
177.05437	5.8
177.12740	3.8
181.10126	10.3
183.11650	23.3
185.13257	12.8
187.14873	7.3
189.12691	5.5
195.11736	12.1
197.13266	15.8
199.14825	9.7
201.16486	5.7
207.11754	4.7
209.13217	12.3
211.14740	9.2
213.16469	13.6
214.74422	3.8
221.13200	5.9
223.14888	4.8
225.16460	4.1
233.21840	4.1
241.19545	7.9
247.17110	4.5
259.20554	14.0
281.17426	7.6
296.12653	3.4
323.23462	3.9
333.24338	5.1
411.10654	3.6
419.32761	6.6
429.31342	7.8
437.34058	10.6
447.32715	29.7
461.86853	6.3
465.33713	31.0
483.34875	21.2
521.35944	10.3
527.37762	4.9
529.38892	7.9
539.37286	100.0
557.30853	15.1
557.38593	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66363	1.4
53.03936	2.9
53.36294	1.2
55.01869	2.5
55.05506	19.0
57.03414	7.0
57.07060	4.0
59.04956	1.4
65.03933	2.3
66.00189	1.2
66.55042	1.4
67.05495	38.8
69.03417	2.1
69.07058	15.2
69.36596	13.5
71.04986	1.6
74.05888	1.2
79.04244	1.3
79.05480	33.8
81.03409	3.5
81.07042	38.8
83.04977	4.1
83.08595	8.0
85.06539	2.1
91.05468	35.5
91.06003	2.6
93.07030	30.6
95.04948	7.0
95.08594	29.6
95.09172	2.7
97.06528	3.7
97.10158	3.9
98.36782	1.4
99.08065	1.6
99.14655	1.3
103.05481	2.3
105.06377	2.4
105.07021	30.6
107.04937	4.2
107.08563	18.3
109.06560	2.5
109.10145	9.7
111.08070	2.6
111.28146	1.4
115.05411	2.2
117.06995	14.5
119.08564	28.8
121.06523	1.8
121.10125	11.4
123.08031	2.0
125.09605	2.7
128.06219	5.9
129.06996	18.6
130.07730	1.8
131.08546	28.7
133.10112	17.1
135.08098	1.7
135.11665	9.2
137.09517	1.6
141.06934	7.3
142.07820	3.2
143.08542	22.6
145.10101	27.4
147.08092	2.5
147.11661	12.4
149.13289	3.9
154.07834	2.3
155.08533	20.4
156.09335	2.2
157.10129	23.4
159.11674	14.1
161.09657	4.3
161.13240	10.7
163.23785	1.5
165.07076	1.7
166.07866	1.8
167.08562	11.5
167.71646	1.5
168.09317	2.8
169.10100	26.6
171.11656	22.0
173.09581	2.3
173.13249	14.3
175.14822	5.8
177.12799	2.9
178.07790	1.7
179.08615	3.5
181.10115	12.7
182.11082	1.8
183.11693	20.9
185.09712	1.7
185.13255	14.3
187.11238	4.0
187.14789	7.4
189.12718	1.8
193.10159	5.9
195.11655	12.9
197.13249	15.2
199.14789	8.5
201.16406	3.1
207.11591	4.1
207.13762	3.6
209.13234	12.4
211.14760	7.3
213.12770	2.3
213.16345	9.7
217.15909	1.6
221.13216	3.9
221.96732	1.5
223.14819	5.8
225.16357	3.9
233.13094	2.4
235.14816	2.5
237.16490	4.6
239.17928	3.5
241.19563	5.5
247.14850	2.0
250.00235	1.7
251.17982	2.7
257.19012	1.7
259.20596	11.2
275.20267	1.5
279.15988	3.9
281.17368	10.6
295.20450	1.7
297.21933	2.4
308.31561	1.5
309.22345	1.9
321.22076	3.0
323.23752	3.3
325.21536	1.8
327.23474	1.6
333.24213	4.0
335.23550	3.1
339.23074	1.7
341.24750	2.2
349.25427	2.8
353.24887	3.7
363.26910	1.6
367.26456	2.7
379.26337	2.2
385.92325	1.7
419.33121	5.0
429.31467	5.2
435.32245	2.1
437.34082	15.3
447.32541	24.6
455.34924	1.6
465.33627	29.0
466.96960	1.6
483.34665	17.1
501.35831	2.4
511.37958	3.1
521.36194	9.4
527.36987	3.9
529.38605	6.6
539.37274	100.0
540.37457	3.3
557.29608	2.8
557.38312	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	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03938	4.3
55.01859	1.9
55.05503	21.3
57.03434	5.9
57.07065	3.1
65.03933	2.2
67.05496	36.5
69.07063	16.0
69.44865	2.9
69.45263	10.1
71.04993	2.8
79.05479	32.5
81.03394	2.9
81.07047	37.6
83.04959	3.0
83.08617	8.8
85.06532	2.6
91.05472	36.3
93.07027	31.8
95.04950	8.7
95.08049	0.9
95.08595	26.1
97.06508	4.6
97.10149	4.6
98.21558	2.2
98.37253	1.3
103.05463	1.8
105.07017	33.5
107.04939	5.1
107.08579	18.4
109.06516	3.1
109.10130	11.3
111.08097	1.4
115.05432	1.8
116.06207	1.5
117.07006	15.4
119.08563	25.5
121.06492	1.8
121.10161	10.3
123.08047	4.5
123.31422	1.4
125.09626	1.8
128.06212	4.4
129.05490	1.7
129.06981	15.5
130.07784	1.4
131.04956	1.1
131.08542	26.8
133.06421	1.7
133.10112	15.6
135.08008	3.0
135.11690	10.1
136.32962	1.3
141.06953	7.1
142.07758	2.7
143.08546	22.9
145.06474	2.6
145.10103	26.5
147.08076	1.7
147.11652	15.1
149.09616	2.9
149.13261	2.9
154.07690	1.3
155.08546	20.8
156.09331	3.4
157.10101	22.6
159.08063	1.9
159.11649	14.7
161.09605	2.6
161.13246	10.3
163.11214	2.7
167.08537	9.1
168.09271	2.7
169.10095	22.2
171.08116	1.6
171.11687	21.2
173.09549	1.2
173.13240	10.3
175.11176	1.8
175.14813	4.8
177.12741	1.9
179.08553	3.6
180.09349	1.4
181.10117	10.1
182.10872	1.9
183.11668	17.4
184.12563	1.4
185.13223	13.6
187.11130	2.4
187.14821	4.4
189.12697	2.6
189.16487	1.5
193.10120	5.2
193.86861	1.4
195.11678	11.6
197.13182	12.9
199.11189	1.7
199.14781	9.8
201.16393	3.7
207.11684	4.7
207.13809	4.5
209.13271	7.6
211.14796	9.9
213.12988	1.3
213.16388	8.3
219.11711	1.7
221.13272	4.9
223.14798	7.5
225.12746	1.3
225.16386	4.2
231.17500	1.9
231.21107	2.0
233.13199	2.2
235.14816	3.5
235.16945	1.4
237.16373	3.9
239.17827	2.2
241.19521	6.2
247.16972	2.7
249.16287	2.0
251.17856	2.0
257.19055	2.8
259.20511	12.0
269.19147	1.5
270.19318	1.3
279.16058	4.0
281.17413	8.8
283.19937	1.7
287.20160	2.1
295.20474	2.0
297.22031	1.9
299.23843	2.3
309.22119	1.5
311.23718	1.4
315.23267	1.5
321.22083	1.8
323.23788	1.9
325.21625	2.0
327.23169	1.7
333.24268	3.9
335.23618	3.5
337.25342	1.5
341.24503	2.1
353.24850	2.7
367.26379	2.1
419.33063	3.8
429.31409	5.4
437.34116	13.5
447.32550	27.9
453.36774	1.4
455.35040	1.6
465.33621	32.9
483.34662	18.7
485.33713	3.0
493.36807	1.7
494.26068	1.3
501.35608	3.8
503.35291	2.9
511.37448	2.4
521.36139	10.9
527.37585	1.7
529.38812	8.0
539.37244	100.0
540.37781	2.2
557.29608	2.9
557.38336	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3293
Annotation	CHEBI:61255
Peak:m/z	Relative Intensity
55.05514	0.2
56.96542	0.3
58.99085	0.2
60.54724	0.2
67.05490	0.3
69.07045	0.3
71.59361	0.2
71.59834	0.3
74.35316	0.2
85.02901	0.5
90.03586	0.2
90.72918	0.3
91.05511	0.4
92.48439	0.2
93.07049	0.3
95.04953	0.2
107.08574	0.2
109.10163	0.3
111.08289	0.2
119.88363	0.2
121.06555	0.3
125.16269	0.2
127.03928	0.3
153.01889	0.4
177.05536	0.3
203.05229	2.5
318.41254	0.2
321.20380	0.7
355.05460	0.2
362.15759	0.2
377.26553	23.5
395.27917	1.7
428.07867	0.2
437.28333	0.4
453.41226	0.2
459.23788	0.2
551.89880	0.3
557.32910	100.0
558.33252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	2.9
69.45245	0.9
69.45647	4.0
70.06570	1.6
72.08154	2.4
84.08140	15.0
85.82520	0.5
89.03912	7.5
91.05468	1.0
98.09678	1.2
103.05448	0.5
110.09630	1.2
112.11234	38.0
117.03371	23.2
119.04917	0.8
120.01965	0.5
121.03796	0.6
129.13869	27.0
134.03629	1.5
135.04413	2.6
137.05907	0.8
145.02834	71.9
146.05956	0.6
147.04402	1.5
149.05978	7.0
155.11768	3.4
158.05913	0.6
163.03937	1.0
175.03928	0.6
176.07085	0.6
177.05455	100.0
178.05830	1.0
186.05457	0.9
203.22340	0.6
204.10094	0.5
207.06506	1.1
218.10423	0.5
219.08878	0.6
233.12877	3.7
234.11232	57.9
235.11603	1.4
248.12842	0.6
264.12570	0.8
275.07541	0.6
275.17438	0.6
276.15698	0.5
305.18582	44.6
306.19122	0.7
341.24606	0.5
361.26007	1.1
379.27011	9.1
537.30646	1.1
538.29041	2.4
555.31750	80.9
556.32227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07306	1.9
55.05501	5.5
57.07068	54.3
67.05479	2.1
69.07066	10.1
71.08620	43.1
71.59806	4.1
73.06535	2.7
83.08619	5.4
85.10180	27.3
87.04452	4.5
89.06020	100.0
97.10160	7.9
99.11723	9.2
107.07080	4.6
111.11705	5.6
113.13264	5.6
117.09115	3.4
125.97157	1.9
130.08600	3.2
133.08588	61.6
149.00769	1.8
177.11246	26.9
221.13846	5.5
236.47816	1.8
257.24652	3.6
283.17401	3.8
301.27335	3.1
371.22607	13.4
539.41534	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	555.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78156	0.2
69.07094	0.2
70.93491	0.4
84.08138	0.3
87.86625	0.3
100.43013	0.2
107.08598	0.3
109.10201	0.3
112.11218	0.5
117.03365	0.3
129.13884	0.4
145.02824	1.6
155.11798	0.3
165.12595	0.3
177.05455	1.9
203.05272	1.6
234.11223	0.7
265.32532	0.3
305.18597	0.4
335.09598	0.3
343.17194	0.3
375.25015	21.6
376.25433	0.5
393.26166	2.5
435.26859	0.3
511.32504	0.4
555.31372	100.0
556.31671	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	555.3174
Annotation	PF1070B
Peak:m/z	Relative Intensity
57.72997	0.6
58.06586	4.3
59.45165	0.6
67.59423	0.6
71.19062	0.7
71.19415	1.6
72.08147	3.9
76.40025	0.7
84.08137	15.9
89.03902	9.0
91.05452	1.6
98.08591	0.6
98.09682	1.1
102.61358	0.8
112.11237	46.1
117.03371	29.4
119.04953	0.9
120.20178	0.7
129.13872	37.7
134.03627	1.9
135.04382	2.5
137.05966	1.1
137.37863	0.6
145.02835	82.8
145.12518	0.7
147.04353	1.7
149.05971	7.1
155.11807	4.2
177.05457	100.0
178.05795	1.6
186.05591	0.8
203.22150	1.2
233.12869	2.7
234.11229	54.6
264.12146	1.0
275.17493	1.0
284.57489	0.8
298.02097	0.8
305.18573	47.9
306.18954	0.8
360.78317	0.8
379.27036	15.5
519.73303	0.7
537.30591	1.1
538.29370	6.6
555.31763	97.7
556.31824	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	555.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91459	0.4
69.91868	0.9
75.19384	0.2
76.63621	0.2
81.07027	0.2
98.21472	0.4
112.11261	0.3
129.13867	0.3
145.02826	0.6
177.05482	0.9
203.05231	1.7
230.11377	0.3
234.11201	0.5
236.36734	0.2
281.38867	0.2
343.17203	1.1
360.69644	0.3
373.56293	0.2
375.25015	24.9
376.25327	0.5
393.26062	1.7
435.26465	0.3
555.31342	100.0
556.31677	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	555.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47110	0.3
60.41603	0.3
71.33646	0.6
75.56389	0.2
78.90707	0.3
112.21637	0.3
117.03394	0.5
129.13826	0.3
141.06790	0.3
145.02826	0.6
177.05495	1.0
194.30696	0.3
203.13219	0.3
234.11339	0.7
252.10324	0.3
278.96362	0.3
288.87457	0.3
305.18604	0.5
341.39175	0.3
375.25037	0.5
393.26050	2.5
435.26974	0.6
508.19995	0.3
511.32462	0.7
555.31360	100.0
556.31775	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	555.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05469	0.3
70.77979	0.3
70.78341	0.7
76.58801	0.3
81.07036	0.3
84.08136	0.4
85.02885	0.4
95.04974	0.4
102.63232	0.2
103.71978	0.2
112.11242	0.6
117.03355	0.3
129.13876	0.5
145.02835	1.2
145.10060	0.2
147.11621	0.2
155.26979	0.2
177.05460	1.4
234.11215	0.6
240.71420	0.2
305.18588	0.7
311.25473	0.3
339.85211	0.2
375.24762	0.4
393.25903	2.8
405.39554	0.3
511.32388	0.9
555.31342	100.0
556.31519	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	555.2926
Annotation	Acrovestone
Peak:m/z	Relative Intensity
56.96555	0.4
59.86981	0.4
62.87706	0.4
69.99088	2.1
76.02272	0.4
81.07066	0.7
84.08147	0.6
86.09717	2.3
86.10179	0.5
91.05477	0.8
95.08591	0.5
105.07018	0.8
112.11211	0.8
114.96326	0.4
117.03365	0.6
118.86112	0.4
119.05049	0.4
121.10133	0.5
145.02855	1.5
177.05492	2.0
234.11276	1.2
305.18643	0.9
375.21988	1.9
393.22586	1.0
393.26837	0.8
428.82974	0.5
555.29260	100.0
556.29895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.0
69.84498	4.4
79.05458	0.7
81.07043	1.2
85.47103	0.7
98.20744	1.2
111.14441	0.6
112.11236	0.9
129.13850	1.0
133.10158	0.8
138.62111	0.6
145.02817	1.0
177.05362	1.6
234.11206	0.7
305.18604	1.3
393.23120	1.4
411.24200	0.8
555.29218	100.0
556.29315	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	555.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.3
62.78429	0.3
63.93122	0.3
67.05487	0.4
69.07037	0.3
69.53930	1.7
69.54348	0.8
79.05467	0.4
79.64343	0.3
81.07046	0.6
84.08109	0.8
91.05455	0.7
93.07022	0.6
95.08576	0.4
98.20782	0.6
100.06252	0.3
105.06999	0.8
107.08530	0.4
107.41247	0.3
112.11243	1.8
117.03343	1.3
119.08546	0.5
123.04520	0.4
129.13869	1.1
133.10080	0.4
135.04288	0.3
137.05856	0.4
145.02808	3.8
147.08015	0.4
149.05934	0.4
153.01782	0.5
167.06953	0.4
177.04001	0.5
177.05450	5.5
203.05202	0.5
203.81030	0.4
207.09857	1.4
234.11180	2.9
235.13033	0.7
276.15182	0.3
305.18597	1.9
310.35251	0.3
333.07840	3.2
343.17197	0.8
371.20361	0.4
375.25055	1.7
379.26923	0.6
405.21136	0.8
423.22507	1.2
440.03625	0.3
444.20734	0.4
537.29681	0.4
555.27429	100.0
556.27960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05501	0.8
56.90854	0.6
58.06588	0.8
67.05497	2.0
69.03418	0.7
69.07060	0.7
69.41321	5.3
70.06580	1.8
71.04986	0.6
72.08151	1.2
79.05482	0.9
81.07056	1.6
84.08138	10.4
85.02902	4.9
85.06535	100.0
86.09714	1.1
89.03902	4.1
91.05479	1.1
93.06532	0.5
93.07013	2.7
95.04969	2.1
95.08598	3.5
97.02903	1.6
97.06534	1.0
98.21433	1.4
99.04466	0.5
105.07021	0.9
107.08588	1.8
109.02866	0.8
109.10152	1.5
110.09660	1.0
112.11221	3.1
113.79526	0.5
114.40332	0.5
117.03372	9.7
117.04130	0.9
121.10145	1.9
123.11749	0.7
127.03887	0.9
128.10699	3.3
129.13878	1.0
131.08548	0.6
134.03635	0.9
135.04449	0.7
137.06013	1.0
137.09552	0.5
139.11177	1.8
145.02831	31.9
145.04768	1.2
147.04398	1.4
149.05971	4.5
149.13286	1.9
153.01863	1.5
159.11729	1.0
163.03975	0.7
167.14311	0.8
177.05450	45.6
177.12773	1.3
195.13786	37.5
207.06549	0.7
213.14848	4.8
234.11241	12.7
248.12708	0.6
273.19138	0.5
286.14478	0.9
304.15524	0.8
305.18549	1.3
322.21335	1.7
334.21387	1.8
360.22791	1.7
378.23843	6.3
386.72870	0.7
428.06360	0.6
498.25940	7.2
536.27667	3.4
537.25995	2.0
554.28650	27.2
555.30627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23848	0.5
54.21612	0.5
69.07037	0.5
69.55205	1.9
69.55623	2.2
76.10887	0.5
88.83953	0.5
125.99059	0.6
172.78015	0.6
185.04222	2.1
201.03741	1.3
227.34525	0.5
255.16713	0.5
270.48349	0.5
275.07480	1.2
299.18719	0.7
302.27921	0.5
317.19589	2.0
331.10010	2.4
335.20651	1.4
345.11627	0.9
352.22519	0.6
359.13239	0.6
373.14856	0.8
391.24518	0.8
415.19104	0.8
441.21024	0.7
443.60449	0.6
455.22382	0.6
483.21942	1.5
535.27136	1.0
553.29785	100.0
554.29980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
56.05015	2.3
58.06592	4.9
68.05030	0.8
69.76762	3.8
70.06581	5.8
72.08141	4.2
81.05779	1.2
82.06576	2.2
83.07349	1.5
84.08135	100.0
85.07656	20.2
86.09692	1.1
95.95403	0.7
96.08125	2.6
98.08459	1.4
98.09682	27.0
98.20832	1.5
99.09206	1.0
109.66500	0.7
110.09671	12.0
112.11230	33.2
113.07142	0.9
123.03139	1.8
123.06857	0.8
123.09155	3.9
124.04001	1.2
124.07594	1.2
127.03847	0.8
127.12316	1.3
129.13863	18.6
137.05978	1.6
139.06284	0.9
139.08672	2.8
139.12315	0.9
140.07045	9.1
149.10689	0.9
150.05511	0.8
151.06258	5.9
151.08699	1.5
151.12381	0.9
152.05881	1.5
152.07059	3.7
153.10269	1.2
155.11790	3.2
164.49507	0.8
166.07370	1.0
167.08145	2.0
179.08087	0.9
180.08908	5.0
180.11272	1.0
181.09662	1.6
184.05141	0.9
189.05434	1.0
192.08968	0.9
193.09750	1.1
195.04417	2.2
195.11143	1.0
199.07524	1.3
201.05476	1.3
203.06961	0.9
207.11255	1.6
208.12003	1.6
209.12982	1.3
211.14482	3.0
212.04590	4.1
223.12917	0.9
224.13933	2.4
227.07059	1.7
229.04974	6.5
234.06863	0.8
236.13861	1.6
244.07353	1.5
249.14743	1.0
250.06171	1.2
250.21317	0.9
251.16301	3.3
251.22256	3.7
259.09641	47.9
264.17142	1.7
265.08615	4.1
272.89648	0.7
278.05936	0.8
282.08984	1.1
283.15219	1.2
284.23260	0.7
293.08066	8.0
294.17102	1.7
294.20465	33.2
295.21185	9.3
297.11374	1.5
323.09070	1.0
325.10629	4.9
397.17523	1.0
408.14304	2.3
410.16006	2.8
425.16846	0.9
467.21524	1.0
469.23251	6.6
479.21664	7.1
525.30774	2.7
553.30182	97.4
554.30377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2822
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
54.60794	0.4
56.96560	0.5
57.98949	0.3
69.07099	0.4
69.52056	2.0
69.52475	1.1
90.03233	0.4
99.41650	0.4
105.07052	0.5
151.15237	0.4
153.01883	0.4
184.07375	0.8
196.06801	0.4
200.30836	0.5
203.05382	0.9
259.07877	0.7
317.08536	0.6
333.19138	2.1
375.20129	0.6
389.22998	1.6
551.28247	100.0
552.28741	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	553.298
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
50.08271	0.3
56.96545	0.6
70.08041	1.3
70.08449	0.9
70.83630	0.4
77.00893	0.4
81.07015	0.5
83.01099	1.0
86.09677	0.8
93.07040	0.5
95.01089	0.9
95.01984	0.7
96.01848	0.5
105.07083	0.5
107.08569	0.5
119.01910	0.5
133.03458	0.9
143.85338	0.4
151.04506	0.5
156.03900	0.4
157.99962	0.4
161.02953	0.8
165.46823	0.4
183.02658	0.4
184.14221	0.4
185.04140	2.0
188.30905	0.4
201.03734	1.1
201.05908	0.4
203.05188	1.9
237.02789	0.6
259.07825	1.6
277.07559	0.6
299.18692	1.3
317.19516	3.1
331.10080	2.0
335.20602	2.5
358.22183	0.4
359.13037	0.9
359.20831	0.4
373.14682	0.5
373.87668	0.4
391.24396	0.6
415.19189	0.9
419.12671	0.5
421.19034	1.5
441.21210	0.5
455.22467	0.8
483.21899	1.5
488.04453	0.4
535.28052	1.0
553.29797	100.0
554.30066	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63223	1.1
55.05511	1.5
57.07050	1.3
57.92726	1.0
67.05510	7.2
69.03410	3.1
69.07070	7.1
69.84101	2.4
69.84521	4.1
71.04975	1.9
79.05485	4.0
81.07051	22.3
83.08601	2.8
85.02884	3.2
85.06503	3.1
86.09714	2.1
91.05479	7.6
93.07033	11.1
95.04948	2.6
95.08592	11.7
97.02871	2.2
97.06544	2.2
98.20737	2.2
99.04436	3.4
105.07018	10.8
107.08585	23.9
108.76891	1.3
109.06499	7.4
109.10149	41.7
111.08028	2.0
119.08583	5.9
121.10150	7.8
123.08012	1.6
123.11684	12.6
127.07566	9.9
131.08652	2.7
133.10118	31.4
135.11710	4.7
137.09557	1.2
137.13229	1.4
139.11147	1.3
145.10088	1.3
147.11708	6.9
147.12624	1.3
149.09578	2.0
149.13235	2.5
151.11171	74.7
153.12741	1.5
157.10094	1.8
161.13196	2.8
163.11156	2.0
165.12733	2.3
167.10690	1.7
169.12227	17.3
172.09067	1.3
175.14905	1.9
177.16335	3.3
179.10632	16.6
181.12230	1.9
184.07277	3.6
197.11725	2.5
203.17918	8.2
215.12769	24.5
221.18961	2.1
277.21588	3.0
317.24744	10.0
335.25766	100.0
353.26929	2.6
362.42310	1.4
551.24243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53078	2.0
53.03947	2.5
55.05503	10.5
57.07059	6.6
60.08157	4.8
64.32810	2.0
67.05493	15.0
69.03414	8.4
69.06715	3.6
69.07060	44.4
70.26415	9.2
71.05000	4.8
71.07355	2.1
73.06545	2.4
79.05472	9.7
81.03410	2.9
81.07047	55.1
83.04979	7.1
83.08605	11.5
85.02895	13.4
85.06551	4.8
86.09698	25.1
91.05461	11.1
91.52538	2.1
93.07036	29.9
95.04964	6.6
95.08596	27.5
97.02897	5.3
97.06535	7.0
97.10159	2.1
99.04425	10.8
99.08102	2.0
103.44946	2.4
104.10741	7.8
105.07018	28.1
107.08582	38.3
109.06512	14.0
109.09446	4.1
109.10149	55.1
111.08031	4.3
111.11724	5.7
117.95155	2.1
119.08588	13.6
119.72941	2.0
121.06472	2.7
121.10126	25.2
123.08047	5.7
123.11676	23.1
124.99998	16.8
125.09605	2.3
127.07560	8.2
127.11180	47.5
131.08563	5.3
133.10104	30.9
135.11650	14.8
137.09656	2.3
137.13239	6.7
145.10138	8.2
147.11673	47.8
147.12788	4.0
149.09610	7.9
149.13174	2.8
151.11172	50.5
153.12741	20.5
159.11707	3.4
161.13222	4.7
162.80083	2.1
163.11183	10.7
165.12730	39.9
167.10689	3.9
169.12230	12.2
171.11679	2.1
171.13823	3.9
173.13271	4.3
175.11171	5.8
175.14743	2.4
177.16382	3.3
179.10588	12.4
181.12234	9.8
184.07318	66.6
191.10649	6.8
193.12238	30.2
197.00912	1.9
197.91895	2.0
201.16391	2.7
203.18002	3.4
207.13786	4.4
211.13306	2.4
215.12766	10.3
229.14322	36.7
299.23895	3.2
317.24649	21.7
335.25769	100.0
353.26837	42.0
353.30920	3.8
371.27890	56.8
379.98328	2.2
538.56610	2.2
550.30920	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	550.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05506	9.4
55.95223	1.4
57.07063	6.1
57.83324	1.4
61.02920	3.0
67.05491	13.0
69.03416	7.4
69.07061	40.0
69.34629	10.0
69.35036	4.7
71.04996	3.7
71.26844	1.3
79.05487	7.7
80.21953	1.4
81.03416	2.0
81.07049	52.8
83.04974	5.5
83.08611	11.2
85.02898	10.7
85.06527	6.2
86.09694	6.6
91.05485	7.0
93.07033	26.5
93.34114	1.4
95.04956	5.9
95.08591	23.9
97.02884	4.2
97.06511	9.4
97.10134	3.2
98.21439	2.6
99.04435	8.8
99.08097	3.4
104.10718	3.0
105.07014	27.5
105.07668	2.2
107.08578	33.7
109.06513	11.2
109.10142	48.7
111.08060	2.9
111.11697	8.0
119.08583	13.7
121.10126	29.8
123.08044	8.2
123.11687	21.3
124.99998	3.4
125.06033	1.8
125.09644	1.6
125.13239	2.0
127.07541	4.7
127.11172	42.4
131.08580	3.0
133.10112	26.2
135.11679	18.8
137.13255	7.2
139.07452	1.7
145.05016	1.5
145.10114	7.8
147.08041	1.5
147.11661	45.7
149.09610	8.5
149.13242	5.2
151.11163	53.2
151.12332	3.2
151.14709	1.6
153.01816	1.9
153.12729	19.7
155.14282	1.7
159.11705	4.4
161.13229	5.8
163.11220	8.3
163.14857	1.7
165.12729	38.2
167.10623	3.8
167.67162	1.4
169.12228	9.4
171.13783	3.9
175.11189	4.1
175.14786	3.0
179.10602	9.6
181.12224	12.8
183.13837	1.9
184.07338	19.9
184.19234	1.4
187.14810	2.4
191.10657	5.2
193.12224	22.0
193.15912	1.5
197.11671	1.6
201.16336	3.2
203.17953	2.7
207.13908	3.3
209.11697	3.1
211.13242	1.5
215.12791	11.8
219.17451	2.5
219.21071	1.7
221.18994	2.2
227.12654	1.5
229.14326	33.0
229.16519	2.0
277.21619	2.1
281.22717	3.2
299.23663	5.4
317.24710	23.6
335.25763	100.0
336.26297	2.2
353.22470	2.3
353.26831	48.5
371.27866	79.1
387.41031	1.5
389.27533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05502	4.7
57.07058	3.1
59.04977	0.9
61.52765	0.6
67.05222	0.7
67.05499	8.1
69.03405	2.9
69.07059	13.8
69.48147	6.0
71.04987	1.3
71.08597	1.2
75.66668	0.6
75.99554	0.6
76.76759	0.6
78.65849	0.6
79.05482	5.9
80.61500	0.6
81.07046	28.8
83.04958	2.9
83.08183	0.6
83.08585	3.7
85.02878	2.0
85.06538	2.8
86.75159	0.9
87.77005	0.8
91.05469	5.4
93.07028	15.3
95.04966	3.0
95.08598	14.7
96.20502	0.6
97.02915	0.7
97.06520	3.3
97.10165	1.6
98.21493	0.9
99.04435	4.9
99.08071	0.9
105.07019	9.6
107.08585	22.7
109.06503	7.6
109.08020	0.7
109.10143	29.4
111.08029	2.2
111.11691	1.3
111.13853	0.7
119.08565	5.2
121.10128	12.9
123.08082	3.8
123.11696	12.9
125.54190	0.6
127.07529	5.9
131.08574	2.1
133.10112	19.9
135.08037	1.0
135.11693	7.1
137.09596	1.2
137.13251	2.3
143.08624	0.7
145.10135	3.8
147.11665	9.6
149.09622	3.2
149.13222	1.8
151.11163	54.6
152.11336	0.6
153.01802	1.5
153.09116	1.1
153.12743	3.9
155.14284	1.0
159.11662	2.8
161.09557	0.8
161.13271	1.8
163.11174	4.9
163.14742	1.7
165.12711	5.5
169.12224	10.7
171.11736	0.7
173.13263	1.6
175.11156	1.1
175.14792	0.9
177.16309	1.1
179.10669	10.2
181.12241	5.1
182.18468	0.7
184.07336	2.1
187.15068	0.8
189.16354	1.3
191.10606	2.8
191.17844	1.1
193.12222	3.1
193.15889	2.7
197.11679	1.6
201.16446	1.4
203.17969	1.6
205.12239	0.8
207.13773	1.4
209.11653	1.3
215.12727	12.5
215.17781	1.0
219.17471	1.3
227.12633	1.4
229.14235	1.5
233.18953	1.1
257.22513	0.9
261.18399	1.0
275.23590	0.8
279.19623	0.9
289.25354	1.3
299.23761	2.7
317.24683	15.6
322.90396	0.7
335.25757	100.0
336.26157	2.1
353.26834	25.2
388.20779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58452	31.1
67.74043	31.0
70.22848	94.9
70.23241	52.0
76.42249	33.9
79.05472	84.6
81.07076	62.7
91.05478	47.8
93.07053	42.9
105.06998	37.0
111.07114	28.5
121.10093	34.3
249.65681	30.9
259.20654	50.7
276.91052	61.8
294.73569	32.8
351.25366	59.0
393.04004	34.4
408.13229	32.8
509.29837	34.9
565.90930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01887	0.2
55.78093	0.2
65.03944	0.2
65.69788	0.1
67.15093	0.2
69.03442	0.2
69.80341	0.4
69.80750	0.8
71.05000	0.2
72.08144	0.3
77.03905	0.4
81.03414	0.2
91.05462	2.7
93.07040	5.3
95.04955	1.3
103.05458	3.6
106.96200	0.2
121.06495	100.0
122.06820	0.6
138.09128	32.1
139.09485	0.3
153.01854	0.3
156.67467	0.2
303.01321	0.5
344.38348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26002	2.6
52.81999	2.4
55.05495	14.1
56.96555	2.8
57.03429	17.8
59.04996	7.0
59.67046	2.8
67.05499	20.4
69.03423	59.7
69.07042	10.4
70.04471	4.9
70.04874	10.1
79.05483	14.2
81.03394	5.6
81.07052	51.6
82.46196	2.6
82.90308	3.1
83.04945	3.5
83.08622	4.3
85.02892	46.8
87.04453	44.1
91.03967	2.9
91.05478	16.9
93.07034	33.0
95.04961	4.8
95.08595	55.7
97.02876	50.4
99.04439	3.7
103.05331	3.8
105.07017	67.7
107.08582	60.0
109.06504	3.6
109.09447	3.9
109.10146	46.9
109.39743	2.1
115.03915	66.4
115.04730	3.4
119.08568	45.3
121.06486	4.2
121.10114	21.7
123.08071	2.5
123.11678	10.8
126.96230	2.7
127.03897	5.5
131.08588	8.2
133.04947	61.0
133.10118	34.7
135.11670	15.3
143.08542	3.0
145.04938	7.7
145.10106	6.4
147.11658	40.3
149.09653	3.1
149.13269	4.5
150.07597	2.6
151.11214	3.7
153.01794	2.8
153.12752	4.5
157.10022	2.7
159.11703	3.7
161.13237	16.2
163.14810	9.1
169.01213	2.7
175.14847	9.4
189.16356	5.3
201.16335	6.4
203.17932	100.0
213.16191	5.5
215.17978	4.6
221.19017	9.8
241.06966	3.8
244.67137	2.7
245.18977	3.2
259.08038	2.6
277.09045	2.8
317.24731	3.5
335.22354	5.2
335.25809	9.7
402.44522	2.7
564.76593	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	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
55.01852	6.7
55.05501	36.2
57.03415	10.2
57.07056	6.7
63.43098	2.7
65.03920	6.3
67.05495	100.0
69.07056	28.6
70.19706	12.0
71.04982	54.3
71.08640	3.7
79.05486	63.0
81.03413	16.0
81.06580	3.7
81.07050	71.2
83.04952	8.6
83.08603	18.8
85.06515	3.7
91.05460	49.5
93.07031	73.7
95.04967	19.9
95.08598	52.7
97.06508	8.0
97.10139	11.6
105.07023	21.4
107.04945	6.5
107.08577	34.7
109.06483	3.9
109.10136	61.2
111.08044	5.4
117.06988	13.9
119.08555	30.1
121.06497	3.6
121.10133	32.1
123.11651	5.6
125.09577	4.8
129.06975	4.5
131.08534	13.4
133.10118	15.8
135.08028	3.6
135.11679	32.2
137.09612	21.0
143.08551	3.9
144.92448	3.5
145.10098	20.6
147.11667	6.4
149.09637	4.8
149.13234	5.0
151.11163	3.0
157.10106	5.4
159.11685	5.6
161.13214	5.7
163.11171	12.5
163.14771	3.6
169.12196	5.7
171.09708	3.2
171.11606	4.4
173.13242	3.8
175.11150	4.3
175.14828	3.6
181.12172	6.1
183.68828	2.8
185.13300	3.9
193.12196	7.7
199.14998	2.8
227.12755	18.1
243.15881	3.2
261.22238	5.9
267.15918	14.3
337.27289	11.0
361.27213	5.9
386.63953	3.5
437.34033	3.8
455.34909	10.5
473.35925	6.0
503.37421	20.4
515.37024	9.1
529.38721	21.7
547.40558	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22461	0.2
60.23626	0.2
69.03442	0.1
69.07044	0.2
70.13311	0.8
70.13661	0.3
81.07032	0.3
98.20830	0.3
99.74780	0.2
141.03703	0.2
153.01866	0.4
234.90167	0.2
276.91037	0.2
323.27835	0.2
337.25876	0.2
385.28760	0.6
499.32236	0.2
536.36450	0.2
547.34460	100.0
548.34906	2.2
565.91406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.7
55.05504	23.9
57.03434	7.3
57.07072	4.9
60.43349	3.0
66.45994	3.0
67.05499	90.3
69.07069	29.5
70.33716	10.3
71.04978	3.5
76.07013	2.9
79.05486	47.5
81.07051	100.0
81.24168	2.9
83.08605	13.9
85.06545	4.1
91.05474	42.9
93.07030	55.2
95.04976	5.2
95.08599	65.0
97.06534	4.2
97.10147	5.2
105.07024	30.3
107.08591	34.1
109.10142	31.6
111.08088	5.1
117.07001	11.4
119.08564	27.0
121.10123	27.0
123.11694	12.8
125.09597	4.5
129.07002	5.6
131.08557	21.4
133.10135	18.5
135.11664	19.7
143.08539	6.0
145.10129	21.1
147.11682	16.7
149.13239	18.3
155.08569	4.1
157.10136	5.6
159.06023	2.9
159.11700	15.7
161.13257	9.6
171.11697	5.6
173.11783	5.1
173.13260	12.7
175.14801	3.2
177.12755	3.3
178.98563	3.1
183.11644	4.0
185.13353	3.9
187.14830	4.9
195.13803	9.6
199.14809	3.1
227.12637	4.0
229.14272	5.8
232.31937	2.9
247.20572	3.4
261.22083	16.9
269.17404	18.0
301.25284	8.0
335.25824	15.1
437.34070	10.5
455.34995	10.0
473.36154	11.8
499.10721	3.3
503.36920	3.3
511.37582	3.8
529.38770	65.3
547.36548	25.7
547.39215	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	547.215
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
70.06559	0.4
70.13934	1.1
81.68804	0.3
89.75594	0.3
98.21509	0.4
150.15442	0.3
151.01118	0.3
175.03688	0.4
189.05215	0.9
204.07556	4.7
205.08145	0.3
218.22980	0.4
262.47537	0.3
331.89456	0.3
366.88895	0.3
401.15704	38.7
417.84430	0.3
442.75018	0.3
547.21490	100.0
548.21753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96531	0.6
69.03366	0.5
70.06511	0.6
71.13312	1.2
72.49625	0.5
81.03353	1.0
82.24381	0.5
85.02850	0.9
97.23148	0.6
99.49707	0.5
101.25286	0.6
105.06982	0.6
116.98558	0.6
134.99635	0.5
146.99577	0.7
274.01492	0.8
282.99133	0.8
301.00134	0.9
302.01035	2.4
303.01736	4.7
310.98703	1.0
311.99484	1.0
313.00073	0.6
319.01208	12.8
320.01892	2.2
321.02710	1.5
330.00449	2.1
331.01273	4.9
337.02286	7.9
339.98840	1.0
343.98422	2.5
347.00699	10.8
348.01462	12.2
349.02240	3.1
355.01019	5.7
355.04532	0.4
357.99936	1.3
361.99451	2.3
362.95993	1.0
365.01721	7.2
366.02573	7.8
371.03336	0.6
373.02228	7.8
375.00201	3.0
376.01013	14.7
391.03317	100.0
392.03690	1.2
393.01373	1.5
394.02032	22.1
396.03848	1.3
399.02512	1.0
409.04391	64.6
410.00815	0.7
414.04883	10.6
415.03693	1.7
417.03656	1.2
429.04846	0.7
432.06104	2.6
433.04538	5.8
437.07001	0.8
445.04550	1.8
447.05869	1.2
469.04456	1.0
487.05487	2.7
505.06476	9.5
523.07336	0.9
528.08582	0.7
546.33246	31.2
547.07568	5.1
547.17920	1.8
547.34167	25.9
553.98895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
55.05504	4.9
57.03437	3.7
57.07052	2.5
59.81591	0.7
61.06142	0.7
62.06063	1.2
67.05498	7.1
69.07062	6.5
71.04996	1.4
71.08619	4.6
71.17436	1.3
79.05490	6.2
81.07047	13.8
83.04969	1.4
83.08601	3.7
85.06486	0.8
91.05457	3.9
93.07029	8.1
95.04942	1.6
95.08598	12.0
97.06518	2.4
97.10138	1.4
98.98470	3.8
99.08092	2.9
105.07023	6.1
107.08585	6.9
108.87503	0.7
109.06509	6.9
109.10131	3.4
111.08054	1.5
117.07021	1.3
119.08576	8.7
121.10139	5.9
123.08057	15.2
123.11685	2.2
125.09599	1.6
126.69180	0.6
131.08553	2.3
133.10118	8.3
135.08047	6.3
135.11662	2.3
137.09534	1.1
143.08614	0.8
145.10115	3.1
147.11674	4.0
149.09607	2.2
149.13234	2.0
156.77374	0.6
157.10117	1.3
159.11684	2.4
161.09650	0.8
161.13239	1.9
163.14819	1.0
165.12770	1.4
167.14310	1.3
173.09615	0.8
173.13312	0.8
175.14825	6.3
177.12755	4.6
177.16428	0.8
179.14282	23.4
186.58328	0.8
191.14304	1.4
193.15837	1.2
199.14803	0.8
205.15860	4.0
216.06313	1.8
233.19153	0.9
263.19873	1.7
277.21347	0.7
281.09222	0.7
289.21567	6.6
289.24680	1.0
293.21115	1.7
303.26773	1.7
319.22736	1.7
331.26263	13.8
337.23648	0.9
349.23868	1.0
349.27417	7.3
368.30331	0.8
369.27908	0.9
374.30676	1.9
375.28983	2.2
387.28873	6.6
405.29947	100.0
406.30521	1.7
485.26941	1.4
503.27515	4.7
511.85626	0.7
546.31396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
55.05498	6.1
57.03433	4.8
57.07059	2.1
62.06069	1.2
67.05488	8.8
69.03445	0.5
69.07057	6.6
69.65906	3.6
71.04987	1.4
71.08618	4.6
75.30967	0.5
79.05483	6.1
81.03394	0.9
81.07046	15.9
82.07379	0.5
83.04959	1.9
83.08610	4.3
85.06534	1.2
85.98537	0.5
91.05473	6.0
93.07022	8.7
95.04983	1.8
95.08595	10.7
97.06532	2.7
97.10134	1.5
97.71861	0.6
98.06026	0.6
98.98451	3.2
99.08080	2.1
105.07014	7.4
107.08575	8.6
109.06516	8.1
109.10155	4.7
111.08054	1.5
117.07008	1.6
119.07793	0.8
119.08570	11.3
120.08852	0.5
121.10121	6.0
123.08055	13.8
123.11685	1.8
125.09595	2.2
131.08560	3.6
133.10117	9.2
135.07098	0.9
135.08034	8.6
135.11671	2.2
137.09610	1.6
143.08525	1.5
145.10104	3.8
147.08125	0.6
147.11671	6.2
149.09590	1.9
149.13229	2.7
154.94148	0.6
157.10057	1.2
159.11681	2.5
161.09541	1.3
161.13248	1.7
163.11185	0.8
163.14781	0.7
165.12744	1.5
167.14340	1.2
171.11633	1.2
173.09567	0.6
173.13220	2.1
175.14798	7.6
177.12755	3.4
177.16344	1.3
179.14282	21.8
185.13219	0.9
187.14832	0.8
190.96350	1.0
191.14185	0.7
193.12303	0.6
193.15913	1.6
198.05200	0.8
201.16360	0.7
203.14204	0.6
205.15894	3.8
216.06177	1.2
221.15282	0.8
231.15919	0.8
261.22247	0.7
263.20117	1.6
271.20462	0.8
275.20047	0.7
289.21606	7.6
289.24860	0.6
293.21048	1.8
303.26718	1.2
318.18002	0.8
319.22586	1.2
331.26279	13.3
337.23627	0.9
347.25900	1.1
349.23526	1.0
349.27328	6.1
357.27774	1.1
361.27429	1.1
369.27841	1.4
374.30432	1.3
375.28821	2.6
384.11368	0.6
387.28885	7.4
405.29938	100.0
406.30203	1.6
472.18478	1.5
485.26648	1.5
503.27579	4.6
528.37378	1.7
546.38519	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	546.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.1
55.01859	10.2
55.05502	6.5
67.05490	7.0
69.03416	12.8
69.07050	10.3
69.18474	2.6
69.28454	30.7
69.89757	2.8
70.03448	2.6
71.04961	6.0
74.64092	2.9
79.05471	8.3
81.03410	16.7
81.07042	19.7
83.04969	4.4
85.02912	3.6
85.06523	4.3
88.78959	2.8
91.05472	7.3
93.07047	25.3
95.04946	8.2
95.08593	10.7
97.02866	3.4
97.06524	8.8
99.04450	6.6
105.07022	25.9
107.08580	41.2
109.02871	27.4
109.06497	8.6
111.08067	4.2
116.14354	2.6
119.08556	8.6
121.06486	16.0
121.10156	24.4
123.08045	4.9
127.03897	16.1
131.08591	4.1
135.08022	3.5
135.11678	12.3
145.10118	20.2
147.11722	3.8
149.09598	10.8
151.07541	8.3
153.01825	4.0
159.07968	2.8
161.05904	2.5
163.11163	59.0
167.10674	13.4
169.08577	65.7
171.11627	2.6
173.09656	4.0
176.78557	3.0
177.05473	3.8
181.12234	13.9
185.11732	4.0
191.10663	27.0
203.06935	2.9
209.11749	32.1
227.12756	100.0
231.06454	5.5
245.13972	4.0
289.14423	3.3
311.15063	3.0
317.14026	4.6
335.14862	4.6
353.15897	49.4
364.12384	2.8
366.26755	3.8
371.17023	12.8
546.33472	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.4
55.01874	3.0
55.05506	19.9
57.03426	5.6
59.04985	1.9
65.03934	3.3
67.05498	49.3
69.03413	4.2
69.07051	13.2
71.04977	5.6
78.28218	1.5
79.05482	55.6
81.02969	2.7
81.03409	34.4
81.07047	54.8
83.04969	5.7
83.08609	20.3
85.02888	18.9
85.06526	1.7
91.05473	40.6
93.07029	45.4
95.04950	23.1
95.08596	33.9
97.02901	1.7
97.06534	4.5
97.10143	5.8
99.08038	1.9
105.07024	28.6
106.07480	1.4
107.04926	3.6
107.08575	21.8
109.06517	4.9
109.10139	14.3
111.04438	2.2
111.08072	8.6
115.05450	1.8
117.07006	9.6
119.04942	1.6
119.08569	25.8
121.06485	1.8
121.10139	25.8
123.08079	2.9
123.11708	6.2
125.09624	5.0
126.93398	1.4
128.06218	3.0
129.06979	9.8
131.08548	18.6
133.06470	1.9
133.10112	15.3
135.08051	3.1
135.11673	10.7
137.09555	1.6
137.13220	1.6
143.08614	3.3
145.10081	9.9
147.08083	1.6
147.11670	14.4
149.09630	4.1
149.13252	6.3
155.08545	2.0
157.10132	10.0
159.11693	6.5
161.13243	5.6
163.11148	2.3
163.14798	2.8
165.12753	4.1
171.11731	4.8
173.13266	5.6
175.11182	8.8
175.14891	2.6
177.12756	2.2
181.09943	1.6
183.11629	2.5
185.13266	5.0
187.14911	2.6
189.11243	2.6
189.16499	1.7
193.12228	36.8
197.13255	2.3
201.16354	2.2
209.13284	1.9
211.13258	45.5
227.12846	4.7
229.68254	1.6
261.22083	6.1
267.15915	6.9
301.25241	2.5
303.23230	2.2
317.24805	1.9
335.25708	3.6
341.24792	1.8
371.44135	1.5
435.32571	4.5
453.33514	7.5
471.34592	2.9
527.37115	22.8
545.38312	100.0
546.38623	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01871	4.5
55.05512	37.8
57.03436	9.8
57.07077	3.0
65.03950	4.3
67.05502	71.9
69.03426	5.7
69.07074	23.4
69.91877	11.5
71.04976	2.3
76.82887	1.8
79.05492	50.5
81.03423	25.3
81.07058	69.5
83.04971	6.7
83.08622	23.7
85.06548	3.1
91.05479	42.1
93.07040	43.0
95.04958	22.5
95.08059	1.6
95.08601	44.8
97.06521	4.5
97.10169	21.5
105.07039	36.2
107.04984	7.8
107.08581	34.0
109.06521	6.4
109.10163	25.6
111.08092	7.0
115.05492	3.1
117.07008	15.6
119.08585	30.8
121.06530	11.1
121.10139	18.2
123.08049	3.7
123.11698	10.3
125.09644	15.6
128.06194	1.9
129.06990	11.8
130.65411	1.9
131.08569	25.7
133.06509	4.3
133.10136	22.0
135.08049	6.2
135.11673	15.7
137.09616	4.4
137.13341	1.9
142.07791	4.2
143.08586	10.5
145.10124	16.7
147.08052	3.8
147.11673	15.6
149.09627	4.8
149.13232	9.0
151.11188	2.8
153.09102	2.3
153.12759	2.1
155.08591	4.7
157.10109	12.7
159.08113	3.2
159.11684	15.6
161.13271	6.6
163.11172	4.7
163.14847	3.5
165.12805	2.7
166.27663	1.8
169.10069	3.4
171.11726	7.1
173.13268	11.1
175.11273	3.6
175.14807	5.2
183.11765	4.4
185.13271	7.8
187.14896	7.4
189.11183	13.6
189.12688	1.8
193.10504	1.9
193.12216	11.0
197.13298	3.4
199.14964	3.2
201.12715	2.7
203.14433	3.0
211.14932	3.1
213.16350	2.2
221.13362	2.8
227.12766	12.5
233.15398	3.0
243.21169	3.9
261.22150	15.9
267.15912	23.1
279.23444	3.4
285.22098	4.3
299.23718	3.0
301.25168	23.0
303.23227	3.5
308.35104	1.8
317.24860	4.0
329.21173	2.4
335.25815	19.8
359.25781	3.2
417.31412	2.5
421.25980	5.4
435.27692	4.3
435.32526	10.1
453.33694	18.8
461.71863	2.0
471.34613	13.6
509.36475	3.5
527.37360	66.4
545.38409	100.0
546.38928	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01873	5.7
55.05503	33.2
57.03434	11.9
57.07062	2.6
59.04995	1.5
65.03940	5.5
67.05495	78.7
69.03418	5.0
69.07059	18.5
69.33426	11.0
71.04978	7.1
79.05479	77.8
81.03406	49.7
81.07045	73.4
83.04973	12.0
83.08605	23.7
85.02892	21.9
85.06538	3.9
91.05468	66.1
92.96846	0.9
93.07028	70.4
95.04953	32.5
95.08595	48.7
95.09222	1.2
97.02866	1.8
97.06512	7.5
97.10146	9.0
99.08070	1.9
105.04528	1.5
105.07011	44.7
107.04923	6.5
107.08575	37.0
109.06503	7.9
109.10143	20.1
111.04408	1.6
111.08071	11.2
113.05999	2.5
115.05457	3.9
117.07001	12.9
119.08560	33.7
121.06499	4.5
121.10120	31.2
123.08031	2.7
123.11705	7.7
125.09610	5.3
128.06219	2.3
129.06985	12.9
131.08539	24.3
133.06516	3.1
133.10109	22.4
135.08032	2.4
135.11679	16.7
137.09590	2.0
137.13277	1.3
139.11127	1.0
140.39444	1.0
141.06990	1.8
142.07751	2.8
143.08527	7.0
145.10092	18.1
146.10451	1.0
147.08002	3.3
147.11655	21.4
149.09615	6.6
149.13185	5.5
155.08569	3.0
157.10112	15.0
159.08037	1.4
159.11687	10.1
161.13213	6.3
163.11147	2.5
163.14787	2.3
165.12712	2.8
169.10120	3.7
171.11688	4.4
173.13216	6.8
175.11162	14.3
175.14812	3.7
179.14441	1.1
181.10068	1.6
183.11728	3.1
185.13284	3.3
187.14818	5.2
189.11223	2.4
189.16376	1.6
193.12213	48.3
195.11772	1.8
197.13292	1.9
199.14777	2.9
201.16467	1.3
209.13306	1.7
211.13242	44.0
213.12573	1.2
227.12785	3.5
243.21077	3.3
247.16759	1.1
259.20670	1.5
261.22073	8.9
267.15927	8.4
285.17041	1.2
285.21924	1.5
287.20230	1.9
292.43842	1.2
297.22025	1.3
299.23700	1.5
301.21939	2.1
301.25296	7.3
303.23279	1.4
317.24756	2.6
331.26773	1.0
335.25882	5.6
371.38187	1.1
417.31320	2.2
435.32474	6.4
453.33685	7.9
471.34753	4.2
509.36383	2.4
527.37311	26.1
545.38306	100.0
546.38647	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01858	6.3
55.05506	36.9
57.03436	8.3
57.07062	2.1
65.03948	2.0
67.05497	59.3
67.29897	1.6
68.85421	1.7
69.03416	4.3
69.07057	16.5
70.27193	6.7
71.04969	4.1
79.05486	39.4
81.03407	18.1
81.07049	54.9
83.04962	4.7
83.08607	21.2
85.06529	4.2
85.80190	1.6
91.05474	33.8
93.07033	42.8
93.07620	2.5
95.04955	23.4
95.08595	40.0
97.06509	6.9
97.07093	1.5
97.10161	22.5
99.08102	1.4
105.07012	29.1
107.04933	6.6
107.08587	25.2
109.06522	5.6
109.10150	27.1
111.08079	5.7
115.05430	2.2
117.07011	16.4
119.07767	1.1
119.08558	28.4
121.06457	8.5
121.10124	18.6
123.08057	4.4
123.11710	9.5
125.09611	18.4
129.06984	7.3
131.08553	22.4
133.06494	4.4
133.10121	16.5
135.08052	6.1
135.11681	12.1
137.09613	3.8
137.13266	2.8
141.06938	2.3
143.08536	9.9
145.06485	1.8
145.10107	15.5
147.08038	3.4
147.11670	13.1
149.09590	2.8
149.13243	5.0
153.09129	2.7
155.08559	3.7
157.10133	10.7
159.11682	15.0
161.09572	2.4
161.13255	7.0
163.11195	4.8
163.14900	3.6
165.12753	1.7
169.10132	4.4
171.11705	5.1
173.11966	2.2
173.13272	10.4
175.11226	4.5
175.14848	3.4
177.12669	3.0
181.10086	2.9
183.11679	3.1
185.13269	5.1
187.11385	2.0
187.13231	2.5
187.14836	5.4
189.11163	10.4
189.12654	1.8
193.12239	9.2
197.13231	3.0
199.14769	4.1
201.16406	3.8
203.70560	1.8
208.33885	1.7
211.13205	2.0
211.14914	2.3
223.14944	2.4
227.12787	17.6
243.21220	3.2
247.16855	3.2
249.14896	1.5
261.19156	1.9
261.22043	11.1
267.13223	3.1
267.15891	24.8
285.22092	7.4
287.20026	2.5
295.22626	2.0
299.23599	3.3
301.25244	19.7
317.24854	2.9
329.21231	2.6
335.25769	14.6
359.25845	2.3
403.25113	2.8
417.31534	1.8
421.25830	4.6
435.32703	9.4
453.33615	16.7
471.34555	13.2
509.36682	3.0
527.37201	59.4
528.37476	1.9
545.38324	100.0
546.38617	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.4
55.01862	6.6
55.05257	2.7
55.05507	36.9
57.03435	8.3
57.07080	2.1
59.04982	2.1
59.09513	1.7
65.03910	4.3
67.05499	76.3
69.03429	4.5
69.07059	17.2
70.84337	3.4
70.84705	2.0
71.04977	5.4
79.05483	41.2
81.03412	22.0
81.07050	63.7
83.04968	5.6
83.08608	22.7
85.06533	4.1
91.05472	37.5
93.07030	39.3
95.04962	22.8
95.08598	41.1
97.06536	4.7
97.10155	22.0
99.08075	1.9
105.07018	31.3
107.04968	6.9
107.08580	30.0
109.06524	4.1
109.10143	29.9
111.08092	5.8
113.09650	1.6
117.07010	16.4
119.08569	31.6
121.06475	10.9
121.10128	21.0
121.10915	2.1
123.08046	3.8
123.11703	9.5
125.09615	17.5
128.06189	3.9
129.07001	10.9
131.08546	27.2
133.06633	2.4
133.10110	23.1
135.08051	5.8
135.11676	14.4
137.09612	4.2
137.13266	3.6
141.07005	2.2
143.08528	10.7
145.06485	3.8
145.10104	20.7
147.08061	2.5
147.11644	14.4
149.09578	3.8
149.13260	6.7
153.09087	1.9
155.08563	4.3
157.10100	9.6
159.08041	3.9
159.11679	17.0
161.09584	1.7
161.13205	10.2
163.11206	2.6
163.14833	3.4
169.10129	4.0
171.11703	8.0
173.11870	2.2
173.13193	9.4
175.11159	4.4
175.14851	4.2
177.12782	2.5
180.75175	1.7
182.44522	1.6
183.11670	6.3
183.81529	1.6
185.13237	5.2
187.14786	7.8
189.11201	10.2
189.12692	2.3
193.12186	9.6
197.13298	4.5
199.14836	3.8
200.85341	1.6
201.12831	3.0
201.16351	3.2
209.13251	2.5
211.14871	3.3
227.12723	19.8
232.59569	1.6
233.15265	3.3
243.21243	2.1
249.14882	2.2
261.22153	11.2
267.15833	17.6
279.19522	1.8
285.22073	5.1
287.20453	1.8
297.22235	1.8
299.23721	3.6
300.80566	1.6
301.25226	26.2
303.22992	3.8
304.96548	1.8
317.24747	2.1
329.21347	2.3
333.24463	2.0
335.25748	18.4
359.25894	3.6
403.24939	3.7
417.31494	2.7
421.25809	5.1
425.34161	2.1
435.27481	3.8
435.32614	8.8
453.33618	17.2
471.34775	14.1
509.36081	3.3
527.37231	70.7
528.37543	2.3
545.38330	100.0
546.38812	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.2
55.01856	4.7
55.05504	31.6
57.03434	10.6
57.07049	3.0
57.57751	1.3
65.03942	3.5
67.05496	61.3
69.03410	5.1
69.06771	1.4
69.07062	14.8
71.04980	5.4
71.11156	2.7
76.69518	1.3
79.05481	38.4
81.03408	25.3
81.07048	58.4
82.65363	1.3
83.04974	8.5
83.08607	22.5
85.02892	6.3
85.06523	1.6
86.09713	1.5
91.05473	37.4
93.07036	41.0
95.04961	19.3
95.08595	37.3
97.06512	3.9
97.10148	16.1
101.69431	1.3
105.07016	31.2
107.04979	3.1
107.08585	27.5
109.06517	5.5
109.10155	21.6
111.08078	5.7
115.05486	1.6
117.06998	13.6
119.07758	2.7
119.08565	24.5
121.06498	6.2
121.10133	18.6
123.08042	4.1
123.11671	8.3
125.09601	12.4
128.06161	1.3
129.06976	11.4
131.08557	23.1
133.06593	2.5
133.10114	19.4
135.08031	3.8
135.11664	10.2
137.09579	3.8
137.13277	2.6
141.07024	1.6
142.07777	2.5
143.08559	7.8
145.06528	1.9
145.10112	15.8
147.08058	3.2
147.11667	14.1
149.09586	5.6
149.13284	5.2
151.11163	1.9
153.09114	1.8
155.08572	2.8
157.10069	11.5
159.08151	1.6
159.11661	13.1
161.13258	7.0
163.11232	2.7
163.14830	2.1
165.12746	2.0
169.10124	4.9
171.11708	4.3
173.09567	2.1
173.11943	1.4
173.13255	9.3
175.11211	5.9
175.14809	3.9
177.12685	2.2
179.14203	1.6
183.11693	3.7
185.13243	5.1
187.13388	2.0
187.14803	7.3
189.11220	5.9
193.12213	17.3
199.14824	3.9
201.16403	1.9
211.13234	11.6
211.14879	1.5
227.12735	8.2
233.15242	1.7
239.17763	1.4
243.21034	1.9
247.17064	2.4
261.22076	11.5
267.15848	16.1
276.30957	1.3
283.24194	1.7
285.22208	3.4
287.19968	1.9
295.22949	1.6
301.25266	15.2
303.23221	2.5
317.24908	2.2
327.23135	1.8
329.21201	1.6
335.22226	1.8
335.25781	12.8
345.24173	1.8
347.90140	1.6
357.27881	1.3
357.67471	1.6
359.25977	3.4
361.24289	1.6
377.76859	1.5
383.26593	1.4
403.24622	2.2
417.31631	2.6
435.27493	2.2
435.32599	8.1
449.29590	1.5
453.33563	11.5
471.34613	9.5
509.36505	3.0
527.31268	1.0
527.37250	45.9
545.38312	100.0
546.37866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
56.05022	0.5
57.03415	0.6
59.96133	0.3
66.99102	0.4
67.48016	0.4
69.03448	0.5
69.07060	8.0
69.07407	0.7
71.01385	0.5
71.04990	0.8
71.37218	0.8
73.02904	0.7
75.03448	0.4
75.29371	0.3
85.02904	0.6
86.09699	100.0
87.04450	0.5
87.10023	0.8
93.35960	0.4
96.01386	0.4
97.02902	0.5
101.02390	1.3
111.00800	0.9
113.02387	0.6
114.49513	0.3
115.03938	2.0
116.98614	0.5
127.03922	0.4
129.01851	1.1
132.10196	58.2
142.51637	0.4
143.03404	1.3
157.01379	2.1
158.99719	0.5
159.02902	0.9
171.02904	0.5
189.03929	6.4
198.06984	0.3
205.84445	0.4
207.04950	0.4
219.07195	0.4
220.99554	0.4
231.68935	0.4
255.05165	0.4
277.03320	0.5
303.00974	0.4
322.10437	0.8
353.76328	0.4
359.06024	4.6
377.07278	3.3
389.54630	0.4
395.08026	1.6
413.09259	0.9
544.13538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1991
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
57.82787	0.2
69.63390	0.5
69.63786	1.9
86.09712	0.2
91.37233	0.3
91.46146	0.3
93.55171	0.2
95.68202	0.3
104.10744	0.3
161.05952	0.5
172.61703	0.3
203.05298	0.6
216.40213	0.3
365.13672	0.7
515.17798	0.3
545.19904	100.0
546.20654	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01867	3.1
55.05251	1.5
55.05504	15.4
56.63712	0.8
57.03424	3.9
57.07073	1.4
62.95136	0.9
65.03934	3.1
66.31115	0.8
67.05499	37.3
69.03418	1.4
69.07062	11.0
70.84678	1.9
70.85045	1.7
71.04973	3.3
79.05486	46.6
81.03407	2.5
81.07049	34.6
83.04974	3.6
83.08606	8.9
85.06539	1.2
85.70070	0.9
91.04893	1.1
91.05471	23.6
93.07036	58.2
95.04962	11.2
95.08596	48.3
97.02888	4.2
97.06520	4.7
97.10152	2.1
99.04441	3.5
103.05462	1.0
105.07017	18.7
107.04940	8.1
107.08582	35.3
109.06492	2.3
109.10152	7.2
111.08121	1.3
113.05997	1.4
115.05457	1.4
117.07018	15.3
119.08565	15.5
121.06509	4.6
121.10131	22.8
123.08063	1.5
123.11721	1.4
125.05994	1.9
125.09563	1.0
129.06996	1.8
130.07784	2.0
131.08551	9.1
133.10132	7.1
135.08037	4.2
135.11674	44.5
139.07520	1.5
143.08563	3.0
145.06599	1.0
145.10101	33.2
147.10635	0.9
147.11688	3.3
149.09624	0.9
149.13223	4.8
151.83379	0.9
155.08492	1.4
157.10130	2.6
159.11673	4.3
161.13280	2.0
163.11162	51.6
171.11684	0.9
173.09505	1.8
173.13309	3.1
175.14864	1.2
181.12213	12.8
187.14804	1.2
209.11636	2.2
227.12756	100.0
228.13225	1.2
243.20915	2.0
261.22110	5.8
275.20166	2.1
275.48260	0.9
317.24768	2.8
433.31210	1.3
451.32346	1.4
469.33371	1.5
525.35822	2.4
543.36761	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01858	3.5
55.05510	14.2
57.03428	2.3
57.07053	2.9
57.32318	0.8
65.03931	1.7
67.05502	36.8
69.03424	1.1
69.07060	12.2
70.84868	1.7
71.04981	2.1
71.42704	0.7
77.03896	1.2
79.05491	48.8
81.03410	2.6
81.07054	32.6
83.04971	3.2
83.08631	7.9
85.06562	1.3
91.04893	1.1
91.05473	21.9
93.07039	57.1
95.04967	9.1
95.08602	41.1
97.02876	3.5
97.06521	4.0
97.10175	1.5
99.04454	2.7
103.05466	1.4
105.07024	15.4
107.04955	8.6
107.08593	35.6
108.79671	0.8
109.06511	2.6
109.10149	6.7
110.01718	0.8
111.04420	1.4
111.08074	1.4
111.58655	0.9
117.07010	12.7
119.08586	14.1
121.06494	6.2
121.10132	18.3
123.11700	1.4
125.06017	2.0
125.09626	1.0
129.06973	2.3
130.07803	1.6
131.08565	6.7
133.10107	7.3
135.08028	2.0
135.11691	41.9
139.07564	2.0
143.08557	2.7
145.09026	1.8
145.10120	26.2
147.11674	2.6
149.09628	1.3
149.13260	3.1
159.11694	2.7
160.26147	0.8
161.13278	1.7
163.11172	55.9
163.14857	1.5
173.13225	1.6
175.14809	1.1
181.12201	11.4
187.14871	1.6
191.10611	0.9
209.11763	2.8
227.12770	100.0
243.21089	1.7
261.21976	4.6
317.24765	1.3
389.26620	0.9
522.61865	1.0
525.35687	1.9
543.36792	54.2
544.36884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2931
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
56.96561	5.0
61.18436	0.6
65.35098	0.6
65.98933	0.6
67.05502	1.2
68.02745	0.7
69.03424	1.1
69.07062	0.9
69.89252	4.0
77.67302	0.6
79.05497	1.1
81.03367	1.2
81.07045	1.8
85.02882	1.4
91.05459	1.0
93.07000	1.0
95.08599	1.1
97.02890	1.6
97.33797	0.6
98.97548	1.5
105.07031	1.9
107.08593	1.2
109.02834	1.0
109.10191	1.2
116.98598	1.4
117.07022	0.7
121.10128	0.9
127.03877	1.1
146.97383	1.0
147.03252	1.1
153.00792	0.8
153.01840	5.9
155.03745	1.0
171.03137	0.8
173.04860	2.1
175.03853	0.7
189.71454	0.8
191.05885	1.0
201.07928	1.1
229.07506	1.7
231.09068	0.9
241.11169	0.8
253.14722	0.9
265.14783	0.8
271.15930	1.0
272.14648	1.0
285.13806	0.9
328.99750	0.8
333.21014	1.4
345.20993	4.5
351.22235	1.4
355.65732	0.7
363.22015	20.5
381.22882	4.5
381.26349	3.8
423.24426	2.0
513.26819	0.7
537.91254	1.0
543.29193	100.0
543.38635	21.0
544.29468	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74437	2.7
53.54672	2.7
55.05494	4.0
57.03428	8.8
59.71752	3.3
61.02924	4.0
61.74644	2.8
63.50573	2.8
67.05485	4.1
69.03429	7.9
69.07050	4.2
70.06572	4.6
70.94791	6.5
71.04984	39.3
73.02914	3.1
79.05481	5.4
81.03408	5.2
81.07042	9.9
83.04964	12.4
84.04446	2.8
85.02895	52.7
85.06525	5.9
86.09707	7.4
87.04466	5.6
91.05463	11.7
93.07030	7.3
93.83886	2.8
95.08567	4.3
99.04480	3.3
103.05453	9.5
104.10706	5.0
105.07031	17.9
107.04958	9.5
109.02848	4.0
109.06492	3.6
109.10152	3.7
109.78447	3.4
111.04437	9.5
112.11234	4.9
117.03365	4.0
119.04914	14.6
120.08112	3.5
121.06541	4.2
121.10144	3.9
122.03684	5.7
123.11716	3.2
129.05461	15.5
129.06970	6.1
129.13907	4.4
131.04903	21.8
133.02866	5.0
133.06456	24.5
135.08138	2.9
136.06174	3.9
136.07625	4.1
137.05965	100.0
143.04939	4.0
145.02861	6.0
145.06435	5.4
147.04373	13.9
149.05962	18.9
151.03937	3.4
151.07536	34.4
153.01779	6.8
157.06546	3.3
159.04405	11.3
160.05186	4.7
161.05956	44.2
161.09639	5.9
162.06697	8.0
163.03857	5.4
163.07544	34.4
165.09094	13.3
167.07080	4.6
175.07507	17.9
176.04636	3.9
177.05429	22.4
177.09042	4.6
179.07077	7.4
181.08626	10.1
183.10182	6.4
183.13684	4.0
184.07298	7.6
187.13260	3.4
189.09068	25.3
191.07016	76.6
193.08652	5.9
201.09056	3.9
203.06999	16.1
203.10602	3.3
205.08609	6.8
207.06570	4.1
207.10143	46.0
213.09140	4.2
217.08626	3.9
219.10138	4.7
221.08046	3.8
223.07492	4.4
231.10132	11.8
233.07974	14.5
240.03676	3.5
249.11295	6.2
255.10023	3.7
259.09686	12.2
268.10358	3.4
277.10657	18.3
287.12836	5.9
290.25531	3.9
295.11710	11.7
297.11121	4.2
311.12802	5.0
313.14380	13.7
331.15347	33.3
343.15305	7.0
349.76465	3.3
477.91388	3.6
495.40222	3.3
537.91736	4.8
542.30127	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	542.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01862	2.6
57.03426	1.5
65.03929	1.7
67.94730	1.4
68.99749	1.2
69.87288	2.4
69.87613	8.5
71.04984	9.8
75.04455	2.1
76.49248	1.4
79.05473	5.3
81.96645	1.6
83.04967	2.3
85.02882	9.7
91.05473	9.1
93.03366	2.3
93.07030	2.8
95.04950	2.6
97.06485	2.1
99.04475	1.4
103.05462	8.2
105.07020	22.6
106.04128	3.7
107.04935	8.3
109.02830	3.2
109.06486	2.9
115.05410	3.3
117.12437	1.3
118.04137	6.4
119.04906	7.8
121.06469	6.5
122.03631	1.7
123.08036	2.3
124.05183	1.8
125.05937	1.8
126.17673	1.3
129.05453	2.1
131.04912	8.7
133.06485	22.2
134.07280	2.2
134.60669	1.6
135.04370	3.3
135.08005	5.6
137.05960	37.2
145.06480	1.7
146.03583	2.5
146.08089	1.9
147.04393	4.7
148.05176	3.0
149.05980	13.1
150.06708	11.3
151.07527	15.2
153.09064	2.1
161.05960	19.8
161.09618	3.1
162.06720	1.7
163.03905	1.8
163.07538	10.0
165.09071	16.0
167.07033	10.9
175.07549	3.7
177.05450	13.5
177.09021	2.0
178.06235	1.6
179.07039	3.6
181.08563	6.1
187.07475	1.4
189.09027	8.6
191.06989	6.8
193.06807	3.3
193.08572	54.7
195.06458	1.7
195.08104	1.8
207.10167	10.7
209.08067	36.1
211.09622	100.0
217.08623	2.3
219.10133	2.4
223.04181	10.6
233.08075	3.5
255.09949	1.7
267.06790	6.2
287.12726	2.9
297.11066	1.5
299.12918	1.5
310.11264	1.7
311.12723	3.5
313.14310	4.9
327.16193	1.5
331.15341	10.4
528.60986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
57.03412	1.3
64.79987	1.0
67.05507	1.1
69.03436	1.5
69.27688	11.7
71.04987	4.3
73.74491	1.0
79.05492	4.0
81.35976	1.2
85.02917	6.0
87.72774	1.0
91.05470	7.0
93.03381	2.5
93.07043	2.6
95.04948	2.8
98.46677	1.0
103.05467	6.1
104.03779	0.9
105.07028	20.2
106.04173	5.5
107.04951	4.7
109.06525	2.1
111.04442	1.1
115.05425	2.1
118.04133	7.0
119.04950	4.2
120.05663	1.8
121.06486	6.7
122.03627	1.4
122.07248	1.8
123.04430	1.3
123.08120	1.9
124.05205	2.3
125.05984	1.8
129.05489	1.5
131.04933	3.5
132.05765	1.8
133.06493	20.5
134.03656	1.1
135.04399	3.7
135.08067	5.5
137.05957	19.4
145.02824	1.2
146.03618	1.4
147.04373	3.2
149.05951	14.2
150.06746	11.9
151.07549	8.6
153.09056	1.9
161.05991	8.8
163.03928	2.4
163.07545	6.8
165.09102	13.9
167.07048	12.1
175.07541	2.6
177.05472	8.9
178.06232	1.5
179.07011	2.5
180.07875	1.0
181.08559	5.7
189.09082	4.1
191.07001	4.9
193.08594	56.7
207.10201	5.5
209.06047	1.5
209.08080	39.1
211.09645	100.0
223.04208	9.3
227.10463	1.2
233.07933	1.3
267.06882	2.8
277.73022	1.0
285.11304	1.2
287.12704	2.4
312.09009	1.4
313.14230	1.8
331.15311	3.8
333.19388	1.2
343.15170	1.6
360.10715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03935	8.9
55.01851	2.7
55.05255	2.0
55.05504	26.6
57.03427	3.4
57.07065	2.5
65.03945	5.8
67.05497	82.5
68.05869	1.2
69.03411	1.8
69.06675	1.4
69.07056	18.9
69.33861	4.8
69.34285	5.8
70.06569	1.2
71.04976	2.8
72.76582	1.1
76.20488	1.1
77.03932	1.4
79.05483	100.0
81.03419	6.0
81.07048	68.3
83.04983	10.4
83.08599	8.4
85.06525	2.6
91.05467	66.3
93.07030	91.4
95.04955	25.1
95.08594	44.9
97.06538	4.6
97.10169	3.8
97.58064	1.0
102.51911	1.1
103.05464	2.6
105.04516	2.7
105.07021	48.1
107.04933	4.1
107.08585	30.7
109.06500	5.2
109.10150	12.1
111.08084	2.2
112.83192	1.1
115.05438	1.5
117.07013	15.9
119.08566	28.6
119.25920	1.0
121.06478	3.2
121.10128	23.0
123.08048	4.5
123.11668	2.1
128.06181	2.9
129.06992	14.6
130.07787	1.0
131.08551	11.2
133.10101	15.1
135.08078	1.3
135.11656	11.0
141.06973	1.6
142.07703	1.2
143.08533	7.1
145.10114	14.5
147.08052	2.3
147.11670	28.1
149.13266	4.7
155.08542	2.4
157.10173	3.3
159.11710	5.2
161.09604	3.2
161.13248	10.4
163.14842	1.4
169.10085	2.6
171.11679	23.1
173.13268	3.9
175.14883	1.8
183.11618	1.0
183.27556	1.1
185.13278	1.6
187.14828	2.0
189.12755	7.9
197.13211	1.3
199.14761	1.7
203.82805	1.1
207.13773	23.2
209.13239	1.4
211.14685	1.6
220.96751	1.2
224.26807	1.1
225.14894	4.2
240.13277	1.2
243.21049	1.7
256.26376	1.8
261.22189	4.8
281.17523	1.4
289.35336	1.1
311.29312	1.6
317.24811	1.5
327.07733	1.1
449.34216	3.0
540.53528	2.5
541.38867	78.4
541.53387	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	541.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01862	7.9
55.05513	16.8
55.05746	3.2
57.03409	6.4
57.07066	18.7
67.05495	44.8
67.14113	3.5
69.03416	26.9
69.07068	27.9
69.62862	24.4
70.06582	12.7
71.04993	7.5
71.08642	4.9
72.08140	6.9
73.02911	4.3
78.35016	3.6
79.05483	17.3
81.03404	4.9
81.07043	84.7
83.04975	11.6
83.08605	12.3
83.84288	3.4
84.04498	8.8
84.08139	14.0
85.02907	21.8
85.06534	100.0
86.09705	5.1
89.03937	4.9
91.05470	11.7
93.07025	37.9
95.04975	3.5
95.08591	62.3
97.02895	6.3
97.06511	9.2
97.10154	3.7
99.04440	6.8
99.08080	18.3
101.06030	5.1
103.05404	3.9
105.07034	28.3
107.04939	7.5
107.08584	38.6
109.02850	3.7
109.06474	4.0
109.10143	53.6
111.08064	16.8
111.11710	4.0
112.11235	19.1
117.03383	8.8
119.08579	17.0
120.08948	3.6
121.10122	29.5
123.11692	50.7
125.09610	77.9
125.73843	3.2
127.03902	7.6
127.11198	6.6
129.13873	11.6
133.10104	6.8
135.04433	3.8
135.11658	21.9
137.05957	7.8
137.09648	5.3
137.13261	10.8
139.11166	12.1
145.02837	25.2
145.10135	4.7
147.04416	6.5
147.11716	11.4
149.05972	7.0
149.13220	10.9
151.11162	4.4
153.01848	13.3
153.12733	11.5
154.28870	3.4
155.10669	19.3
156.18011	3.5
157.12283	11.0
159.11674	9.3
161.13254	9.2
163.02608	4.8
163.03882	34.6
163.14874	10.0
165.12737	6.3
167.14313	4.2
169.12215	8.9
171.13799	35.0
175.14728	4.6
177.05453	42.1
179.01616	4.1
179.07228	3.4
179.14276	3.8
183.13710	3.6
191.01630	5.5
191.07034	5.1
191.17905	17.9
192.07712	3.7
193.03143	5.5
195.01114	3.7
205.19342	3.8
207.04652	4.0
208.01819	5.4
209.02693	6.3
220.09720	19.3
223.04216	40.7
234.09178	3.7
234.11174	16.7
239.20030	19.6
249.05766	4.4
249.11273	15.7
250.11560	7.8
267.06824	65.8
271.24182	4.7
277.25214	8.8
289.25174	16.0
291.17017	16.6
293.08420	4.4
295.26202	29.0
301.24600	4.0
305.18564	18.4
307.26291	39.8
310.10965	9.5
313.27344	18.2
325.27319	15.2
343.28223	22.0
352.08490	10.7
361.29346	15.0
396.10938	6.0
413.13705	13.1
467.14764	4.7
523.28510	4.5
541.22650	5.9
541.30066	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	541.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26925	2.8
52.69823	2.6
55.05493	14.1
57.07068	6.6
59.05001	5.9
61.02911	3.0
65.34189	3.0
67.05495	11.1
69.03414	6.6
69.07057	82.7
71.04974	3.5
71.08659	2.8
79.05487	16.3
81.07049	100.0
83.08601	14.2
84.08143	4.7
85.02911	12.2
85.06532	12.8
85.72798	2.7
86.09689	6.1
91.05487	6.5
93.07043	18.5
95.08596	44.2
97.02924	3.3
97.06537	9.7
97.10177	8.3
98.21503	6.8
99.08078	18.0
105.07037	15.1
107.08554	22.9
109.02870	3.5
109.06501	9.3
109.10136	32.9
111.08101	2.8
111.11708	31.4
112.11234	4.6
113.94542	3.0
119.04911	3.4
119.08570	13.0
121.10129	16.5
123.11700	24.4
125.09634	4.0
129.13840	5.7
133.10161	8.6
135.11653	10.5
137.05997	4.9
137.13254	4.4
139.11156	32.3
143.14217	4.4
145.02811	6.3
147.11678	11.8
149.13272	9.2
151.11140	3.3
153.01813	8.2
157.12228	14.2
159.11714	2.9
161.06078	3.0
161.13297	5.5
163.03926	7.1
163.07555	3.5
163.14781	29.8
165.12764	4.1
167.07092	4.6
175.14902	3.7
177.05495	9.3
177.09108	6.2
177.16425	5.0
178.09409	4.6
181.83479	2.7
203.17914	29.0
215.70770	3.3
219.15109	2.5
220.09833	3.3
221.18983	31.2
239.20035	97.4
257.21091	56.1
291.17001	3.7
295.26315	11.1
305.18442	4.3
307.26273	18.9
325.27386	6.9
332.15326	3.6
410.53040	3.7
541.30353	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67899	0.2
55.01853	0.3
55.05497	0.4
55.59876	0.2
61.28014	0.2
67.05499	0.7
69.07049	0.5
69.90910	1.2
70.02940	0.2
79.05495	0.8
81.03404	0.4
81.07043	1.0
83.08647	0.3
86.06064	0.6
86.09700	0.9
88.03986	0.6
91.05493	0.7
93.07050	0.3
95.04960	0.3
95.08601	0.5
105.07053	0.8
107.08586	0.6
109.10226	0.3
116.10735	1.0
118.30869	0.2
119.08549	0.3
129.07027	0.3
133.10101	0.4
157.10072	0.3
168.57349	0.3
203.05255	7.3
214.18025	0.8
240.76666	0.2
275.20157	0.3
357.55536	0.3
361.27109	12.5
362.27805	0.4
379.23914	1.3
379.28424	0.8
421.29224	0.4
425.26257	0.7
443.27719	1.1
474.01038	0.3
541.33521	100.0
542.33777	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
56.57413	0.2
67.05489	0.4
69.03400	0.2
69.07046	0.2
69.90786	1.1
71.54802	0.2
79.05494	0.3
81.03394	0.2
81.07047	0.3
83.08607	0.2
84.08154	0.2
86.09704	0.2
87.12617	0.2
91.05470	0.3
93.07039	0.3
95.04984	0.2
95.08603	0.3
103.90692	0.2
105.07017	0.3
109.10145	0.3
119.08565	0.3
145.10170	0.3
192.41508	0.2
201.12772	0.2
203.05240	1.9
240.36363	0.2
273.76538	0.2
345.80444	0.2
361.27087	4.7
361.31393	0.3
379.28259	1.0
397.27744	0.3
443.27994	0.3
497.33862	0.3
523.32153	0.5
541.33453	100.0
542.33740	3.8
543.54456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2986
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
51.72676	0.7
52.73932	0.6
53.03938	0.8
55.05503	0.8
67.05484	0.7
71.59702	0.7
71.60174	0.8
79.05488	1.1
80.27001	0.7
81.03416	1.1
81.07056	1.2
83.09628	0.6
84.08131	1.1
85.02903	1.1
86.09671	0.7
89.12718	0.7
91.05444	1.3
93.07024	2.0
95.05004	0.9
95.08619	1.0
97.02883	0.9
97.06522	0.6
105.07041	1.6
107.08600	1.4
112.11171	0.7
121.10165	0.9
133.10182	1.0
137.05998	0.8
145.02873	0.9
146.97466	0.8
147.04422	0.8
153.01820	1.4
159.10497	0.8
161.06099	0.8
165.09114	0.8
167.07042	0.7
193.08505	0.9
293.71014	0.7
325.46805	0.7
361.23291	0.9
363.25128	2.9
379.24585	9.4
523.28577	0.7
541.29822	100.0
542.30133	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	540.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01852	8.6
55.04432	2.0
55.05505	12.9
56.96541	3.0
57.03428	16.1
57.07060	4.1
59.04995	2.0
61.02905	9.4
67.05496	33.7
69.03420	35.8
69.06783	1.8
69.07063	23.3
69.43357	12.0
69.43764	5.5
71.01345	6.3
71.04988	11.1
73.02911	61.5
79.05463	12.0
79.66781	2.0
81.03398	7.8
81.07040	37.5
83.04942	3.7
83.08614	15.0
84.08144	2.9
85.02898	73.0
85.06509	7.7
87.04448	6.1
91.05481	16.5
93.06560	2.1
93.07047	26.0
95.04959	2.0
95.08597	55.8
97.02277	3.5
97.02877	46.6
97.06511	15.4
97.10184	10.7
99.04456	3.0
99.08067	4.4
105.07021	14.3
107.08583	11.5
109.02860	8.1
109.06535	2.3
109.10146	38.4
111.08043	8.0
111.11708	5.7
115.03905	21.1
119.08557	21.7
121.10124	7.5
122.84183	2.2
123.08014	3.7
123.11721	3.8
127.03899	23.3
131.08521	3.9
133.04948	20.6
133.10121	25.6
135.11650	8.1
137.05991	2.4
137.09567	6.8
145.04982	20.3
147.11681	13.6
149.13205	7.8
151.11195	2.6
151.14824	15.2
153.01825	5.3
157.06720	2.5
163.06001	6.3
175.14812	75.3
193.04942	2.5
193.15858	69.8
199.05952	3.4
207.06416	2.7
211.16904	100.0
217.62738	2.3
223.06078	4.4
229.17961	88.6
241.06992	6.0
250.94630	2.4
258.46945	2.6
259.08170	5.6
271.13739	9.4
271.63943	2.7
277.00269	2.2
280.14307	13.4
280.64380	2.9
307.13657	2.7
496.23334	5.4
540.30176	12.5
541.29620	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	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
63.75974	1.6
66.65976	1.4
69.03411	2.1
69.07045	1.7
70.79871	1.4
71.32306	2.7
71.32640	2.3
72.40618	1.4
73.02890	2.4
79.05463	2.5
81.07051	2.4
85.02894	5.4
86.09666	2.2
86.57730	1.3
87.47826	1.6
91.05460	8.0
95.04940	2.3
103.05446	7.2
104.10711	1.4
105.07017	2.3
107.04927	3.6
108.74442	1.9
109.06497	2.4
109.10104	2.4
115.05473	1.7
117.01487	1.6
117.06995	2.2
119.04919	7.4
120.08051	1.9
121.06443	2.9
122.03606	2.7
123.08042	2.0
129.06987	3.9
131.04913	15.8
133.06491	1.8
135.08020	2.6
137.05969	44.5
147.04395	3.0
149.05971	5.6
151.03893	1.7
151.07520	30.9
152.01398	1.5
153.01840	9.6
157.06464	3.8
161.05980	6.9
161.09596	1.7
163.03925	2.1
163.07535	39.0
167.07162	3.0
167.08514	6.1
175.03871	1.9
175.07545	7.0
177.09088	100.0
181.08562	1.9
182.03343	1.5
189.09091	13.5
195.08054	6.1
195.10124	1.7
207.06509	2.1
207.10083	1.9
209.09666	2.0
221.06042	3.0
221.09679	3.6
221.11714	14.5
223.07509	3.1
225.09077	2.6
227.10609	10.3
247.02190	1.4
249.09192	1.8
253.08578	4.0
253.12178	4.9
255.10136	8.5
265.08350	1.8
281.11990	1.5
285.11133	8.0
287.12759	16.4
296.29086	1.5
299.12830	2.8
303.01450	2.0
313.14230	16.0
331.15369	42.5
343.15497	3.5
361.16498	7.5
544.92609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
61.02910	1.0
62.09068	0.9
69.03414	3.4
69.53849	1.9
69.54259	5.3
70.06596	1.4
73.02905	1.6
75.25301	1.0
78.16270	1.0
79.64098	0.9
81.03395	1.9
84.08102	1.5
85.02898	7.1
86.09685	2.3
90.68538	1.0
91.05466	11.4
93.07027	1.4
95.04948	3.7
97.02905	1.8
98.21537	1.8
105.07005	1.5
107.04942	2.0
109.02894	1.4
109.06521	1.3
112.11201	1.1
115.05468	0.9
116.06223	1.0
117.03355	2.0
117.06927	1.3
119.04931	7.6
121.06494	1.4
122.03620	1.9
127.03892	2.0
128.06204	1.8
129.07002	9.8
129.13864	1.1
130.05106	0.9
131.04898	2.6
131.08582	5.9
133.06464	1.6
135.08000	1.4
136.06152	1.9
137.05956	32.9
141.06970	5.4
145.02849	3.2
145.06454	2.3
147.04401	2.2
149.05983	7.6
151.07529	44.9
153.01817	3.4
157.06479	10.2
158.07245	2.5
159.08028	5.1
160.05228	1.8
161.05988	4.9
161.09587	1.6
163.07538	10.4
165.06985	1.5
165.09097	1.7
167.07141	1.8
167.08572	5.9
169.06445	3.9
170.07275	1.1
174.06743	15.0
175.07521	6.0
177.05481	4.5
177.09045	2.0
178.07739	1.6
181.08543	1.1
184.07343	2.2
186.06769	3.4
189.07373	2.0
189.09087	40.0
191.10626	1.8
193.06429	2.2
193.10133	2.6
195.08008	9.2
201.09088	10.4
203.08694	1.3
203.10608	1.4
207.06422	1.3
207.10170	2.4
210.06647	1.7
211.13335	1.2
212.08426	1.1
219.10132	100.0
221.05914	3.9
221.09563	4.2
223.07567	4.6
224.08298	2.4
225.05527	1.3
225.09143	2.2
227.10643	14.3
237.11119	1.1
238.06294	1.8
249.09003	3.7
253.08611	6.0
253.12242	7.7
255.10188	14.2
267.10132	1.6
269.08249	1.6
269.11621	1.5
272.10455	1.6
281.11688	3.2
285.11099	11.1
287.12790	26.1
299.12814	2.0
313.14291	24.4
331.15366	71.4
332.16064	1.1
339.37137	1.1
343.90872	1.1
507.04660	1.3
540.28247	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16691	0.5
53.03289	0.4
53.03922	0.5
55.01855	0.5
60.51057	0.5
62.15257	0.5
65.03944	0.5
65.20391	0.5
67.05490	0.7
69.03424	1.0
70.62795	1.0
72.08141	0.4
78.69237	0.5
79.70803	0.5
80.89095	0.5
81.03409	0.7
82.34165	0.4
82.54665	0.5
85.02886	1.7
91.05463	3.5
95.04939	1.0
97.02924	0.5
103.05457	6.4
105.06999	0.8
107.04948	0.9
107.08588	0.5
109.06491	0.7
112.29890	0.4
115.05434	1.0
117.06985	2.2
119.04916	2.5
121.06486	1.2
122.03653	1.4
123.08023	0.9
128.06210	0.7
129.06958	1.2
131.04919	16.2
133.06487	0.5
135.08051	1.2
136.05240	0.5
137.05968	23.7
145.02824	0.7
145.06470	1.3
149.05946	1.6
151.07527	13.6
153.01810	1.1
157.06448	1.3
161.05949	2.1
162.06737	2.1
163.07533	41.0
165.06979	0.6
167.08606	1.1
171.08022	1.0
174.06769	0.6
175.07549	2.6
177.09096	100.0
178.07826	0.7
178.09454	1.7
189.09097	4.1
193.06505	0.5
193.10101	0.8
195.08252	2.8
195.09984	2.9
203.10597	0.9
207.10228	0.7
212.08176	0.5
221.05916	1.2
221.09706	0.8
221.11694	15.6
224.08244	0.8
225.09126	1.1
227.10675	3.1
231.02928	0.4
237.09125	0.7
238.06183	0.6
249.08812	0.7
253.08606	1.7
253.12180	1.9
255.10139	2.9
265.08493	1.0
267.10187	1.0
269.07858	0.9
281.11581	0.8
285.11218	2.7
287.12759	7.6
299.12689	1.0
311.12704	1.5
313.14337	7.2
331.15375	20.1
343.15280	1.1
442.93454	0.5
457.02814	0.5
458.67929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01860	2.2
64.66690	0.6
65.03934	3.2
67.05506	1.2
70.06593	0.8
70.84727	1.9
75.04471	4.0
78.04678	2.6
79.05476	2.9
81.03415	1.3
84.08123	1.8
85.02895	4.4
89.03914	1.8
89.06031	1.1
91.04948	1.2
91.05472	11.1
93.03396	10.4
93.07049	5.9
95.04962	4.5
97.02909	0.8
97.06515	3.3
103.05465	6.3
104.10780	1.3
105.03380	0.9
105.04494	0.7
105.07010	1.7
106.04163	28.8
107.04947	3.0
109.06487	0.8
111.04420	1.5
117.03387	0.9
118.04154	1.0
119.04920	1.5
121.06490	31.2
123.04412	1.4
124.05186	1.1
125.05963	7.5
131.04866	1.9
133.06483	1.1
134.03590	3.4
135.04382	1.5
135.08066	0.8
137.05968	7.0
138.06720	2.4
139.07497	2.1
145.02815	2.7
147.04326	1.5
148.05186	2.6
149.05971	43.6
151.07518	3.6
153.05446	3.5
153.09087	12.5
161.05930	2.6
163.03885	2.0
163.07545	2.8
165.05464	0.8
166.06204	1.1
167.07022	3.5
173.06073	0.7
177.05457	26.1
181.08575	20.5
184.07285	1.5
189.09036	0.8
191.07005	2.7
207.10124	2.3
209.08069	100.0
210.08470	1.5
223.04234	6.8
331.15341	1.8
369.12994	0.9
540.27118	1.9
551.29041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.9
55.87989	3.2
57.07071	51.9
65.03927	2.9
65.78823	2.8
67.05170	4.0
67.05501	61.9
69.07063	15.7
70.64513	5.1
70.64866	8.2
71.04990	62.4
71.08624	38.2
79.05496	19.6
81.03371	2.7
81.07050	94.1
83.04956	10.0
83.08603	20.8
85.06503	7.5
85.10175	19.3
89.05995	3.5
91.05473	38.7
92.94723	3.4
93.07046	17.4
95.08590	40.6
97.06523	8.1
97.10191	5.7
98.20754	3.5
105.07020	21.5
107.08556	18.8
109.10159	19.4
117.06999	3.5
121.10107	4.4
123.11723	19.5
131.08528	6.4
133.08665	3.5
133.10141	21.9
135.11665	3.9
143.79558	3.8
149.13297	6.7
151.11171	11.8
153.75835	3.2
159.11674	7.6
160.88274	2.9
171.48016	3.9
177.12703	4.5
179.72563	3.0
183.13770	20.2
187.13271	6.2
195.13890	4.3
227.16431	3.7
239.23715	9.9
285.16943	5.0
339.28595	4.5
341.27258	4.4
437.99582	3.5
495.40372	43.9
507.40347	4.3
539.43054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47764	6.8
55.05503	20.8
57.03437	9.4
57.07063	41.4
67.05492	42.2
69.07056	20.7
71.08624	35.3
72.65522	7.3
73.96207	7.6
79.05489	31.5
79.05901	7.6
81.07043	58.3
83.08607	29.6
85.10183	13.9
91.05491	13.1
93.07031	46.7
95.04992	12.7
95.08595	55.9
105.07018	15.5
107.04919	9.4
107.08588	36.8
109.10114	13.7
117.07005	9.3
119.08585	9.7
121.10150	16.7
123.11722	8.3
131.08606	8.6
133.10184	7.7
135.11641	55.2
145.10126	42.0
145.11171	7.8
147.89235	7.5
163.11185	47.0
181.12265	16.1
225.20190	7.4
227.12753	100.0
283.15402	48.8
283.46597	7.5
313.27332	88.0
452.96005	8.3
477.16138	9.0
521.38428	59.2
539.38635	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05512	18.0
57.03417	3.0
61.34659	2.0
65.03909	2.2
67.05502	24.8
69.07056	11.8
71.08617	2.0
71.48519	3.2
75.62630	2.1
79.05481	22.3
81.03436	2.2
81.07049	23.3
83.04991	3.8
83.08596	6.2
91.05468	25.1
93.07045	19.5
95.04932	4.9
95.08600	15.7
97.06513	2.9
97.10216	2.5
105.07022	19.2
107.08583	14.0
109.10154	4.1
117.07027	11.0
119.08566	11.5
121.10150	6.5
125.09573	2.6
128.06235	3.8
129.06979	10.3
131.08589	11.4
133.10124	10.3
135.11671	3.1
141.06996	5.9
142.07837	2.3
143.08508	15.3
145.10127	8.9
147.11697	6.0
154.42474	2.2
155.08536	14.3
156.09373	3.0
157.10168	10.6
159.11655	9.3
160.04091	1.9
161.13185	2.9
166.07849	2.4
167.08574	7.5
168.09331	2.6
169.10074	18.1
171.11659	15.8
173.13303	3.3
179.08577	2.8
180.09343	2.5
181.10136	13.3
182.10927	3.4
183.03366	1.9
183.11676	16.7
184.74368	2.0
185.13290	4.9
195.11743	13.0
197.13211	9.9
199.14819	4.9
207.11720	4.6
209.13219	11.6
211.14824	6.9
221.13321	4.0
223.14857	6.1
225.16507	2.4
232.06155	1.9
235.14915	2.7
237.16425	3.6
249.16539	2.8
251.18021	2.6
253.15952	2.2
259.20676	3.0
261.16397	3.1
281.22830	2.3
295.20563	2.2
327.23312	2.1
329.20819	2.0
335.23730	2.8
429.31396	7.1
447.32681	22.3
465.33615	10.7
483.34680	3.7
485.33817	2.9
503.35175	3.4
507.20163	2.1
521.36456	10.9
539.37305	100.0
540.38080	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	539.3186
Annotation	Dysinosin D
Peak:m/z	Relative Intensity
67.05492	0.3
71.41730	0.3
71.42069	0.5
79.05508	0.3
81.29723	0.2
81.77209	0.2
81.96159	0.2
85.28744	0.3
86.09691	0.3
87.94633	0.2
105.07058	0.2
118.53859	0.2
118.55331	0.2
142.31787	0.2
176.38016	0.2
192.96790	0.3
203.05273	0.4
318.85535	0.3
359.25537	3.3
359.29678	0.3
377.26541	4.6
419.27762	1.0
492.58392	0.3
510.24536	0.2
539.31879	100.0
540.32355	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	539.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97286	0.5
53.03917	1.0
53.09540	0.5
55.01838	1.3
55.05502	5.9
56.96535	0.7
57.03397	1.8
57.07045	1.2
64.59000	0.5
65.03898	0.9
66.92316	0.5
67.05497	10.3
69.03381	0.6
69.07053	4.2
69.33064	3.9
69.33482	1.3
71.08585	0.8
73.32052	0.4
79.05482	9.2
81.07048	10.3
83.04946	1.1
83.08617	3.0
85.06491	0.5
86.09683	3.4
90.78255	0.5
91.05469	10.1
93.07025	8.1
95.04928	2.4
95.08603	5.5
97.06490	0.9
97.10131	1.7
103.05400	0.6
104.10667	2.0
105.07017	9.1
107.08584	3.6
107.94050	0.6
109.10162	2.9
117.07016	4.4
119.08558	5.6
121.10072	1.6
123.07996	1.1
124.99906	1.6
125.09575	1.0
128.06204	0.6
129.06979	5.0
131.08556	6.6
133.10107	2.8
134.99557	0.7
135.11600	1.4
141.06902	2.2
142.07710	1.2
143.08554	5.1
145.06332	0.5
145.10112	4.9
147.11653	3.9
149.01155	1.2
149.02293	0.5
153.06886	1.1
154.07674	0.5
155.08525	6.1
157.10106	5.1
159.11662	2.8
161.13142	1.7
165.06877	1.1
166.07680	0.5
167.08542	2.9
168.09286	1.1
169.10095	6.1
171.11661	4.4
173.13184	1.2
177.00618	0.7
179.08467	1.0
180.09198	0.8
181.10112	5.4
182.10902	0.8
183.11659	5.3
184.07295	5.1
185.13277	2.7
187.14716	0.8
193.10031	1.0
194.10759	0.5
195.11681	4.5
196.81708	0.6
197.13213	3.0
199.14694	0.6
203.05203	0.8
205.09993	1.0
207.11551	2.0
207.13574	1.2
209.13297	3.2
211.14679	1.6
213.16219	1.4
219.11470	0.6
221.13092	1.5
223.14702	1.9
225.16267	1.0
230.39087	0.6
233.13228	0.9
233.15366	0.6
235.14622	1.0
237.16287	0.8
239.17903	0.8
244.94769	0.6
249.16360	0.6
259.20453	1.5
261.16348	0.7
307.20361	0.7
313.27173	0.7
315.22931	1.3
321.22107	1.9
323.23468	0.7
327.22910	0.6
335.23560	1.0
337.20450	1.1
363.22714	0.9
363.26791	0.6
406.13202	0.5
429.31107	2.1
447.27380	0.5
447.32507	7.4
462.86868	0.5
465.33344	2.7
483.34167	2.2
485.33688	0.6
521.36145	3.4
538.81305	1.5
539.31158	100.0
539.36853	11.0
539.81738	0.6
540.31738	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	539.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92061	0.2
69.37975	1.9
93.07016	0.2
127.81461	0.2
135.96683	0.2
136.13707	0.2
159.07777	0.2
203.05243	2.6
333.15811	0.2
359.25522	27.2
360.25739	0.4
377.26596	1.7
539.31860	100.0
540.32343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.9
68.66673	1.0
69.03421	2.2
70.60361	2.6
70.60718	1.0
71.04983	4.1
74.20958	0.8
79.05496	1.7
81.07047	1.0
84.08118	1.1
85.02888	5.2
91.05481	2.2
93.07013	1.5
94.04166	2.4
95.04926	1.8
95.08556	1.3
103.05445	2.5
105.07027	2.4
107.04964	3.2
112.11198	1.3
115.05419	1.2
117.06976	1.1
119.04956	1.9
119.08642	1.0
121.06528	1.0
122.03654	5.4
123.08073	0.9
129.06963	1.8
131.04880	4.3
131.08601	1.5
135.08046	1.5
137.05965	100.0
138.06294	2.6
145.06445	1.3
147.07887	0.8
151.07541	6.9
151.36719	0.8
161.05977	3.4
163.07510	5.8
165.06967	0.9
167.07047	7.2
172.08047	0.9
175.07484	4.6
177.05530	1.3
177.09062	1.3
181.08606	5.7
189.09068	1.8
195.10104	2.1
205.08575	1.4
207.10133	1.5
213.11217	6.1
223.09552	1.0
265.08655	1.1
285.11288	1.2
291.12225	1.1
297.11203	1.3
297.40613	0.8
311.12769	1.1
327.11877	1.1
337.14426	1.4
351.70410	1.0
353.68097	0.8
355.15457	1.5
539.28204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.05504	18.2
56.66913	4.7
56.96570	6.9
57.03420	11.1
57.07070	7.2
65.03929	6.8
65.88319	5.9
67.05499	23.2
69.03424	19.0
69.07066	69.3
69.83618	34.9
71.04979	13.9
71.08614	9.3
79.05482	23.5
81.03426	8.1
81.07047	100.0
83.04972	11.6
83.08604	18.7
85.02904	23.8
85.06548	13.2
86.09671	6.8
91.05459	34.3
93.07036	75.2
95.04955	20.4
95.08593	68.9
97.02884	10.0
97.06533	16.2
97.10168	6.5
105.07022	35.2
107.04979	6.2
107.08584	45.4
109.02902	7.5
109.06474	12.6
109.10153	53.5
111.08070	13.5
111.11711	12.8
119.04933	6.6
119.08577	33.6
121.06519	8.0
121.10126	82.4
121.11636	6.5
123.04431	5.7
123.08116	7.8
123.11704	32.1
127.11160	9.8
131.08553	14.4
133.10115	19.3
135.08066	10.8
135.11650	28.7
137.05966	24.2
137.09628	16.0
137.13232	10.7
139.11217	29.2
145.02863	7.4
145.10101	13.7
147.08115	10.2
147.11665	9.5
149.13269	19.5
151.11160	16.4
153.01799	27.5
153.12770	19.3
157.10075	9.7
159.11665	12.2
161.05969	6.9
161.13246	7.3
163.11143	10.8
163.14745	9.9
167.10645	13.8
171.13724	7.3
173.13255	12.3
177.05495	13.5
189.16315	8.8
191.14375	6.1
203.49413	6.2
261.21979	6.6
279.23032	14.1
287.23724	11.6
293.24579	16.4
305.24744	49.4
311.25714	7.9
323.25818	64.2
378.32642	6.6
399.11005	6.9
430.30664	6.5
494.23151	10.7
538.28442	7.8
539.28265	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	538.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	26.4
57.07072	13.8
67.05515	24.3
69.03422	14.6
69.07064	67.2
69.69074	4.6
70.06595	7.5
70.91273	13.6
71.04960	9.0
71.76525	4.7
79.05498	24.9
81.03418	6.0
81.07050	82.8
83.04976	8.5
83.08619	10.6
84.08131	5.1
85.02897	13.8
90.74309	4.3
91.05473	20.6
93.07044	100.0
95.04951	17.0
95.08602	68.0
97.02908	8.4
97.06526	14.6
97.10145	7.5
105.07018	31.5
107.08566	31.4
109.06497	13.4
109.10136	40.2
111.08071	11.2
112.11275	8.1
119.08572	27.1
121.06528	6.8
121.10126	74.7
123.08055	10.9
123.11704	35.2
125.09553	4.7
131.08585	9.1
133.10126	20.1
135.08086	5.0
135.11693	13.1
137.06003	11.0
137.09607	7.7
137.13252	10.2
137.47643	5.2
139.11183	19.6
145.02824	10.0
145.10101	7.9
147.11679	11.3
149.09564	12.1
149.13234	9.5
151.11215	7.7
153.01804	9.6
153.12749	7.6
157.10182	6.8
159.11702	9.6
161.13232	9.9
167.10696	39.6
169.12247	5.5
175.14841	6.4
177.05527	11.2
179.10754	5.3
197.11728	9.5
201.16423	4.8
204.96002	6.0
261.22116	5.3
269.22586	8.4
287.23755	28.3
305.24759	63.3
323.25696	64.9
534.22382	5.3
538.27515	7.9
539.28082	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	537.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.4
67.05476	2.4
69.03419	6.4
69.95312	12.7
71.04978	9.2
73.02904	2.3
79.05480	6.0
81.78532	2.2
83.04977	3.1
85.02896	9.2
91.05479	10.7
93.07021	4.6
95.04955	20.7
98.20836	4.3
103.05460	18.6
103.53383	2.0
103.74314	2.0
105.07020	5.7
107.04959	13.1
115.05433	2.9
117.07005	3.0
119.04938	5.2
121.06508	10.9
131.04903	25.3
133.06494	5.9
135.04404	5.1
135.08025	4.2
136.05264	2.3
137.05956	25.8
137.92860	2.4
138.06821	2.2
143.04915	2.6
145.02834	2.7
145.06490	4.0
147.04414	11.6
151.07542	6.8
159.08081	2.6
161.05977	6.2
163.07520	34.1
165.09122	2.4
167.06998	28.0
167.49893	2.2
171.08015	2.8
175.07555	6.3
177.05434	5.1
177.09012	2.8
179.07019	6.2
181.08574	100.0
187.07526	3.1
189.09157	2.7
191.06950	2.5
193.08607	22.3
195.06416	2.4
195.08218	2.2
195.10153	8.2
203.06897	2.8
205.08560	4.1
206.99115	1.9
207.10138	7.5
211.09669	15.5
213.11203	10.5
217.08548	3.2
219.10176	3.1
221.08029	2.0
223.09619	2.6
225.11276	8.5
231.10181	6.2
305.13977	3.3
308.03220	2.1
391.52121	2.1
407.55524	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	537.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60600	1.0
60.68462	0.8
62.98245	4.9
65.48087	0.9
68.39828	1.1
69.35643	0.9
71.23095	1.1
71.23430	1.7
94.45496	1.0
102.39124	0.8
104.99290	1.9
119.00819	2.5
120.98728	2.2
131.01906	2.5
131.51933	1.9
132.01791	2.2
137.52036	1.5
150.97545	1.0
152.52443	1.5
166.72887	0.9
173.53078	1.1
177.01373	11.4
185.04153	4.4
193.98256	1.3
194.96657	100.0
195.02403	26.2
203.05296	9.5
204.03937	1.9
224.54520	1.1
254.97482	7.3
255.03217	1.4
266.97659	2.0
282.03775	1.3
314.99478	1.2
357.00485	1.4
365.10532	44.7
381.07809	7.5
462.31381	1.2
537.08435	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	536.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	29.9
56.96553	20.0
57.07087	10.6
59.16326	7.1
67.05495	26.6
67.14963	7.7
69.07063	60.3
71.08595	9.9
71.59419	11.5
79.05501	18.5
81.07047	61.0
83.08607	41.4
85.02909	16.6
85.06503	8.5
91.05421	9.7
93.07022	23.8
95.08593	61.5
97.06545	8.1
97.10153	24.6
105.07006	24.1
105.74451	9.6
107.08583	24.4
109.10125	42.2
111.11727	20.5
119.08534	16.6
121.10143	15.7
123.11671	28.0
135.11681	22.0
137.13196	8.7
139.01685	8.0
141.09059	9.2
144.20567	7.8
145.10121	13.7
149.13225	9.7
151.14833	10.0
161.13266	8.6
165.12703	8.9
184.08786	7.9
249.99849	8.9
303.26816	12.5
321.27850	37.0
333.07950	9.5
339.28928	100.0
377.24045	10.8
381.47900	10.7
432.69327	10.2
505.35519	9.1
536.25452	80.0
537.26465	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	536.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32216	9.7
55.05504	29.7
57.07063	14.4
61.43029	8.6
67.05494	34.8
69.07059	67.8
69.36201	7.5
69.52132	67.7
74.02305	7.2
79.05465	15.0
79.85082	7.3
81.07041	100.0
83.08611	61.7
85.02898	11.9
91.05447	10.5
93.07048	29.6
95.08582	90.0
97.06511	9.9
97.10168	21.9
105.07033	20.3
107.08589	26.2
109.10139	53.0
111.11711	33.6
112.07627	11.2
119.08575	18.2
121.10163	19.4
123.11701	30.5
125.09564	8.8
125.13255	22.3
133.10127	21.0
134.24394	7.2
135.08009	9.7
135.11639	24.8
137.13232	22.9
145.10094	9.7
147.11630	16.7
149.09602	8.9
151.14822	9.3
153.01805	16.5
155.10692	7.8
161.13235	13.3
169.12164	17.2
179.14290	9.3
183.13834	19.4
185.58669	7.3
191.14316	13.5
195.13812	22.0
197.15279	11.1
207.21146	8.5
208.65977	8.4
209.15388	14.1
239.20045	9.9
247.20540	10.6
265.21619	14.1
285.25491	8.4
299.05981	14.4
303.26776	21.5
321.27881	60.7
339.28842	36.2
536.15442	12.6
536.32593	33.7
537.23010	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	536.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22992	0.1
56.05025	0.4
58.06348	0.2
58.06621	0.4
59.07385	0.2
60.08158	6.9
62.00854	0.2
66.15723	0.2
67.05496	0.6
70.06593	0.2
70.57918	0.6
70.60084	0.1
71.06978	0.2
71.07370	3.0
72.32831	0.2
79.05489	0.4
81.07051	0.7
86.09695	32.8
91.05474	0.3
93.07030	0.3
95.08598	0.3
98.98454	2.5
104.10729	3.1
105.07018	0.2
116.99491	0.2
124.99989	22.7
143.01016	0.5
176.19551	0.2
184.07320	100.0
185.07701	0.4
212.32201	0.2
258.10931	0.2
500.30945	0.7
518.25781	0.2
518.32355	3.5
537.26050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
55.05507	6.8
55.72957	1.3
56.96550	1.8
57.03424	1.6
58.99586	13.9
67.05512	7.8
69.03400	2.3
69.07056	2.0
70.57465	3.7
70.57819	2.0
74.00668	1.8
76.02219	100.0
76.03980	4.0
79.05465	5.6
81.03412	27.6
81.07056	8.8
83.04983	8.2
83.08595	8.2
84.04498	24.3
84.08097	1.9
85.02907	2.0
85.04008	3.7
86.99045	4.4
88.02192	2.0
91.05450	8.6
93.07033	3.7
95.04953	9.5
95.08610	1.9
97.01091	2.7
97.02889	3.1
97.10155	1.7
101.56325	1.3
102.58479	1.3
105.07030	5.2
105.41263	1.4
107.04951	1.9
107.08601	1.5
109.06471	3.1
111.08109	3.4
116.01663	21.8
116.04412	1.3
119.08582	3.3
121.10102	3.2
129.06969	3.5
129.33873	1.6
130.04993	16.9
131.04524	2.1
131.08527	3.2
133.06488	1.8
133.10098	1.6
136.07590	1.6
142.03256	6.6
144.01141	13.4
147.08018	2.2
147.11696	4.1
149.09647	2.8
153.01836	8.6
157.10098	3.6
162.02188	51.5
170.02634	2.1
175.11096	6.7
177.03291	8.5
177.05443	2.1
179.04843	96.0
187.05353	2.6
191.14047	1.4
193.12189	15.3
207.28397	1.6
211.13260	33.8
215.04781	1.7
233.05869	29.5
245.05826	3.6
268.13657	2.8
290.08014	2.3
291.06329	1.8
303.01474	1.7
308.09076	85.2
518.20844	1.5
536.18835	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3474
Annotation	Cepafungin I
Peak:m/z	Relative Intensity
51.37356	4.0
54.24387	3.7
55.05502	20.3
56.30106	4.1
57.07058	10.0
59.20720	4.0
67.05497	25.6
69.03426	4.7
69.07052	28.5
71.04969	4.8
71.08615	6.0
73.19264	4.3
79.05484	18.8
81.07044	100.0
83.08614	11.6
85.02909	9.2
85.06544	31.4
91.05466	11.1
93.07023	39.5
95.04971	5.9
95.08588	81.7
97.10139	5.5
99.04446	4.6
99.08074	6.1
105.07003	19.7
107.08594	43.5
109.02826	5.3
109.06532	8.8
109.10137	43.1
111.08046	4.9
113.90392	4.1
119.08582	13.9
121.10125	33.5
123.08081	6.3
123.11677	27.3
127.07584	8.2
133.10136	16.4
135.11702	27.9
137.13251	23.3
145.10091	8.0
147.11732	11.2
149.13243	20.9
151.11186	15.3
153.01784	4.4
161.13318	4.9
163.11182	5.6
163.14816	8.3
165.12714	7.7
177.12694	5.0
181.12186	9.1
183.37177	4.1
184.07465	4.9
195.13777	7.0
205.19469	6.6
209.15364	8.2
217.19568	4.3
223.16791	4.2
229.41643	6.1
240.90796	4.9
250.13281	4.6
283.24341	4.9
301.25281	12.7
319.26254	75.9
337.23651	6.4
337.27332	70.5
355.28378	30.0
373.29468	4.2
453.37878	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	535.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00164	2.8
67.05508	3.9
71.59286	3.9
75.57378	2.6
79.05486	4.2
81.07079	4.3
86.09752	3.5
91.05474	3.9
91.36381	3.4
101.37888	2.8
111.36797	2.8
141.31059	3.0
184.07347	7.3
286.65710	3.5
314.05676	3.9
324.07907	3.2
325.05115	4.0
339.06424	3.9
343.05887	3.8
344.06824	9.6
355.05881	11.6
367.05820	5.9
368.06769	5.0
370.04703	7.6
371.05334	5.7
383.05206	20.3
383.88315	3.2
384.06104	9.3
385.03140	7.3
385.07367	4.8
386.04077	7.0
396.06158	7.1
397.07086	5.1
399.04715	7.6
399.09332	3.9
400.05832	10.0
401.06467	8.9
409.07156	4.3
411.08621	3.8
412.05902	4.9
413.06528	9.1
415.08060	100.0
415.51276	3.5
425.10150	9.8
427.08026	9.4
429.09586	10.6
437.06165	4.8
441.05603	7.7
442.10803	4.2
443.06909	14.9
453.09366	3.6
457.12909	9.0
459.10742	9.1
467.11389	6.1
485.12238	37.4
499.14163	7.0
503.13052	7.5
535.15906	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	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	28.8
57.07051	10.1
60.12152	8.3
60.23414	9.4
66.45904	9.4
67.05493	69.1
69.07053	21.1
79.05439	23.2
81.07034	86.6
83.08612	19.3
88.35747	8.6
91.05489	16.0
92.24225	8.8
93.07034	41.1
95.08591	100.0
97.10172	16.5
104.10680	10.4
105.07011	15.7
105.86781	8.7
106.78390	9.4
107.08606	13.9
109.10164	35.5
119.08552	20.4
121.10109	20.4
122.51015	8.6
123.11730	18.5
124.47255	8.1
131.00708	8.0
135.11667	16.5
147.11769	10.8
149.13242	17.5
163.14827	21.0
184.07347	10.2
186.21469	9.0
188.72127	9.6
229.64673	9.2
245.22675	51.8
263.23691	84.1
280.78311	9.9
306.91776	17.2
337.27441	52.9
337.30945	10.1
364.55438	9.3
420.02072	9.9
465.85980	10.2
491.81815	10.7
492.87860	23.4
551.89282	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	535.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80215	2.2
55.01860	7.6
61.02906	2.9
69.03403	4.0
70.06571	3.5
70.31332	5.1
70.31721	4.2
70.56033	2.1
71.04961	3.1
77.38939	2.5
78.25596	2.2
79.05457	3.8
79.63947	2.2
81.03410	4.0
82.52927	2.8
84.08131	3.1
85.02874	7.5
93.07054	3.1
97.02883	3.5
103.05487	2.5
107.04917	4.1
109.02835	3.9
111.04420	3.3
119.04900	8.9
121.02857	38.3
121.06528	2.9
123.06857	2.5
145.02840	10.2
147.04401	3.7
149.05974	4.4
153.01843	5.5
163.03905	4.7
169.46477	2.3
177.05463	7.5
189.01799	5.7
191.03389	6.0
195.02859	8.3
201.05414	2.7
203.03363	16.1
205.04924	3.0
207.02844	7.4
207.06537	2.8
209.08034	5.2
210.34447	2.5
215.03336	6.7
219.02843	2.9
221.04460	6.1
223.08574	2.8
225.10138	4.7
229.04910	4.6
233.04451	6.5
239.11633	3.4
243.02934	2.5
245.04372	3.0
253.09653	5.7
267.11359	4.6
268.07193	2.7
279.06488	6.2
283.06006	4.5
292.07254	3.8
293.08047	6.5
294.05380	13.7
294.08218	3.4
295.05939	56.2
295.10828	4.1
296.06693	6.6
297.07541	7.7
299.05667	3.8
305.07956	4.2
307.05991	39.7
307.09506	4.1
308.06723	13.5
309.07526	15.8
313.11771	4.5
317.07672	3.3
319.05887	5.7
319.09448	3.2
320.06790	6.9
321.07523	45.2
322.08084	3.5
323.09006	8.6
325.06976	40.8
329.08200	4.3
331.05997	4.2
333.07458	32.8
334.08212	6.6
335.09082	19.4
336.06082	3.7
337.06940	34.0
345.07495	18.1
347.08972	5.9
349.07013	42.5
349.11041	2.0
351.08466	16.6
359.09024	5.4
361.06924	26.1
363.08566	25.7
367.08078	9.9
373.07056	17.5
373.13651	6.2
375.08917	11.8
377.10367	4.3
379.08038	63.5
385.09341	3.4
387.08539	7.7
389.10242	4.8
391.08063	55.4
393.09656	2.8
397.04437	4.1
397.09119	40.0
399.08490	6.1
403.07941	11.3
405.09552	11.4
409.09158	49.2
415.07657	13.8
415.74634	2.9
417.09647	13.5
421.09271	5.5
427.10266	26.3
433.09055	37.2
445.09201	20.8
451.10162	37.3
463.10086	28.9
469.11255	60.3
481.11218	100.0
499.12302	75.4
503.21078	8.0
517.12860	20.2
535.18494	11.2
535.24396	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	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99263	3.7
55.05503	21.1
57.03429	5.9
57.07058	10.6
57.92445	3.6
58.27628	3.5
59.65359	4.1
60.08141	4.3
61.02918	4.9
62.73448	3.3
63.58599	3.4
64.83092	3.7
67.05493	89.3
69.07070	29.7
69.43790	13.9
69.44213	21.8
71.04917	4.1
71.08600	7.2
71.85961	3.5
77.57080	3.8
79.05487	22.7
81.07051	100.0
83.08614	23.2
85.02866	7.6
86.09692	21.5
91.05463	20.8
93.07028	26.5
95.08590	83.5
97.06496	5.6
97.10158	12.3
98.21513	7.7
99.08096	5.0
104.10719	43.3
105.07018	15.4
107.08584	20.5
109.10139	38.4
111.08041	6.2
115.78930	3.9
116.94576	4.5
119.08549	14.3
121.10110	24.7
123.11672	28.8
124.22165	3.7
125.00010	10.5
125.09602	5.0
128.97873	3.9
133.10123	17.1
135.11661	13.5
137.13239	7.6
141.12732	3.7
147.11638	10.3
149.13245	9.9
151.14771	10.3
155.14270	6.7
161.13248	15.1
163.14813	11.5
165.16382	13.0
175.14827	10.1
179.17958	6.9
184.07323	31.5
189.16338	6.7
213.47354	3.8
245.22620	74.9
263.23669	97.4
267.71945	4.5
337.27365	77.7
355.28244	4.8
478.91531	4.3
534.35406	6.6
535.69568	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	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23493	0.3
55.01834	0.3
55.05507	3.3
57.03415	0.3
57.07067	2.5
59.04979	0.5
61.02896	0.3
67.05494	3.9
69.03400	0.9
69.07059	9.3
71.04974	1.4
71.08615	0.9
71.59886	0.5
72.18504	0.3
73.06557	0.4
79.05484	3.3
79.62003	0.3
81.07048	15.6
83.04972	0.9
83.08133	0.5
83.08606	7.4
85.02903	1.5
85.06529	1.4
85.10173	0.4
86.09659	0.3
91.05451	1.5
93.07034	8.9
93.07613	0.5
95.04944	1.9
95.08592	12.4
97.06513	2.2
97.10142	2.2
99.04442	4.7
105.07014	4.7
107.07854	0.7
107.08577	10.4
108.97639	0.3
109.06493	3.6
109.10141	9.5
111.08071	2.2
111.11723	0.7
117.05495	0.9
119.08564	3.3
121.06464	0.5
121.10120	5.7
122.10384	0.3
123.08057	3.2
123.11688	5.0
125.09593	0.5
127.07547	4.2
129.65692	0.3
131.08551	0.9
133.10114	9.5
135.08032	0.5
135.11674	5.7
137.09642	0.8
137.13255	1.7
139.11243	0.3
139.43541	0.3
143.08534	0.6
145.10117	1.2
147.11662	4.0
149.09581	0.6
149.13235	5.2
151.11163	24.0
151.14769	1.0
152.95082	0.3
153.09045	0.4
153.12712	0.9
155.10664	0.3
156.09235	0.3
157.10097	0.8
159.11658	1.4
161.09608	0.4
161.13219	2.0
163.11191	1.9
163.14754	0.9
165.12761	0.4
165.16368	0.8
167.10577	0.6
167.14294	2.0
169.12221	0.5
171.11716	1.1
173.13254	0.6
175.11143	1.6
175.14725	0.4
177.12738	1.0
177.16351	1.2
179.10643	4.3
179.14290	0.4
179.17984	0.6
181.12236	1.4
183.17474	0.4
184.07323	0.9
185.13298	0.6
189.12732	2.1
189.16368	0.9
191.17908	1.0
193.12216	1.3
195.13776	0.8
199.14803	0.4
201.16454	0.3
203.17987	1.0
205.19574	0.7
207.13768	4.0
209.19008	1.0
213.16371	0.6
217.19582	0.4
221.15436	0.4
221.19067	0.5
227.17944	1.0
240.90834	0.8
243.21074	0.5
249.18460	0.7
259.24115	0.8
263.20081	0.6
273.25778	1.0
276.91074	0.4
281.91281	0.6
283.24252	2.0
301.25143	2.1
306.91879	0.6
315.17868	0.4
319.26266	12.1
324.93188	0.5
337.27322	100.0
338.27771	1.8
411.12906	0.3
415.84909	0.3
492.88098	1.0
493.88010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.6
57.03408	1.3
57.07059	3.0
67.05501	5.9
69.03421	2.1
69.06715	1.0
69.07066	12.4
69.34802	5.1
69.35210	1.6
71.04975	2.2
71.08623	0.8
79.05496	4.6
81.07050	19.8
83.04977	1.2
83.08613	10.6
85.02906	5.7
85.06535	1.8
91.05466	2.1
93.07041	12.3
95.04961	2.2
95.08601	15.7
95.09158	1.3
97.02882	1.0
97.06542	3.4
97.10157	2.6
99.04456	9.2
105.07026	5.7
107.08582	13.3
109.06483	3.8
109.10139	12.3
110.35236	0.7
111.08074	2.7
117.05490	1.8
119.08572	3.9
121.10142	7.1
123.08047	4.0
123.11686	6.8
127.03914	1.2
127.07511	4.8
131.08545	1.0
133.10126	9.9
135.08089	0.8
135.11699	9.1
137.13242	2.9
145.10104	2.1
147.11668	4.6
149.09682	0.9
149.13240	9.0
151.11172	27.6
153.12759	1.4
154.40370	0.6
157.10135	0.9
159.11728	1.7
161.09697	0.9
161.13277	2.3
163.11168	2.2
165.12805	1.3
165.16409	1.0
167.10657	1.3
167.14325	2.8
171.11682	1.8
173.13258	1.0
175.11192	2.3
177.12747	2.1
177.16452	1.5
179.10645	4.7
179.14400	0.9
179.17917	1.1
181.12228	2.4
184.22330	0.7
185.13283	1.3
189.12741	2.7
193.12247	2.0
197.70219	0.8
203.17931	1.8
205.15958	0.8
205.19450	2.2
207.13737	6.7
209.19055	1.0
221.19020	1.2
222.89838	0.7
227.17863	0.8
234.89903	0.9
240.90924	2.9
259.24219	0.7
273.25623	1.0
276.90872	1.1
281.91110	2.4
282.91907	0.7
283.24185	2.7
291.26712	1.1
301.25262	3.1
306.91943	2.4
319.26297	23.3
324.92923	1.4
337.27335	100.0
338.27478	1.0
355.28394	29.1
450.34189	0.9
492.88062	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35398	0.2
55.05527	0.2
56.05025	0.4
56.42836	0.2
58.06601	0.4
60.08156	6.9
60.14006	0.2
67.05503	0.4
69.07050	0.2
70.06608	0.3
71.07363	3.3
71.42172	0.5
79.05501	0.6
80.97415	0.2
81.07039	0.4
86.09697	31.2
90.80519	0.2
91.05436	0.4
93.07037	0.6
95.04986	0.3
98.98454	3.0
104.10730	4.0
105.07021	0.5
107.08611	0.3
121.10129	0.3
124.99989	21.9
133.10104	0.4
135.11682	0.2
143.01038	0.6
174.54300	0.2
184.07320	100.0
234.89841	0.3
240.90891	1.1
264.90936	0.4
275.90170	0.3
276.90851	0.9
281.91257	0.8
282.91986	0.5
297.85861	0.2
306.91983	1.3
322.91476	0.3
324.92874	0.5
337.27304	0.6
449.44931	0.3
467.87912	0.2
492.88049	1.6
493.88229	0.3
498.29541	1.0
516.30872	3.5
551.89178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43661	0.2
56.05029	0.6
57.03432	0.2
58.06615	0.4
60.08160	7.0
60.08471	0.3
62.37971	0.1
67.05514	0.4
69.07034	0.1
70.73081	0.3
70.73415	0.2
71.07369	3.2
71.08630	0.2
75.31783	0.1
79.05503	0.2
81.07061	0.5
86.09699	33.3
91.05476	0.2
93.07021	0.3
95.08605	0.3
98.98447	2.8
104.10736	6.7
105.07050	0.2
107.08569	0.2
116.99503	0.2
124.99995	21.4
131.06738	0.2
143.01074	0.5
163.69249	0.2
166.02614	0.2
184.07327	100.0
185.07623	0.6
222.89951	0.2
234.89861	0.2
240.90898	0.7
258.10928	0.3
276.90924	0.2
281.91095	0.7
282.91879	0.3
306.91953	0.8
318.91885	0.3
322.91217	0.2
324.92969	0.4
420.38785	0.2
465.85196	0.2
474.87149	0.2
492.88229	1.0
493.88181	0.3
516.30835	1.1
534.31909	4.2
551.89087	0.2
559.19543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28187	0.3
52.30213	0.4
52.57779	0.4
52.89834	0.3
53.03939	0.6
53.92542	0.5
55.05488	0.4
56.96554	0.6
57.81195	0.4
67.05483	0.8
69.03407	1.7
70.04516	0.4
71.60101	0.4
78.04675	0.5
79.05470	1.4
79.22343	0.4
81.03415	0.5
81.07051	0.8
82.99232	0.4
85.02895	1.5
86.09696	0.5
86.37505	0.4
91.05476	4.3
92.06236	0.6
93.07042	3.1
95.04948	1.4
95.08586	1.0
97.02880	0.4
103.05444	1.3
105.03365	0.5
105.07025	3.7
107.04929	1.8
107.08578	1.2
108.05716	0.9
108.87657	0.5
109.02879	0.5
109.06498	0.7
111.04414	2.0
115.05460	3.3
117.07015	14.9
118.04176	0.4
119.04893	0.9
120.05708	1.4
121.05645	0.7
121.06504	12.0
123.04462	1.3
123.08057	1.5
124.05194	0.9
131.04936	0.8
132.05721	0.7
133.06491	2.7
135.06052	0.4
135.08035	1.9
136.05145	1.1
137.05940	1.4
138.06801	1.9
144.05685	1.9
145.06483	12.3
147.08026	0.5
147.65413	0.4
148.05147	1.0
149.05980	1.1
151.07527	2.6
151.72256	0.4
153.01831	0.9
159.04358	0.5
159.08046	0.7
160.05171	0.7
161.05980	2.7
162.06732	2.5
163.07550	1.7
166.06276	3.4
167.07039	31.8
172.05211	0.4
173.05946	0.7
175.07562	0.7
178.06224	0.6
179.07021	1.2
181.08588	100.0
182.08899	0.7
187.07439	0.7
189.08900	1.8
190.06221	2.6
191.07021	8.7
193.08606	7.3
195.10197	1.2
205.08595	49.9
206.08951	0.5
207.10100	0.4
211.09666	2.1
223.09639	16.0
225.11203	1.4
229.06747	1.4
281.91306	0.6
291.12280	0.4
303.12280	1.5
306.91846	0.6
321.13318	4.3
324.92969	0.6
337.12521	2.3
352.14926	6.1
388.99866	0.6
492.88400	1.1
533.23566	29.8
534.23993	1.2
551.89056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.8
55.21684	2.0
57.03421	6.9
57.07102	2.1
61.02904	6.6
66.99146	2.0
67.05493	8.2
69.03427	13.2
69.07059	5.0
69.49448	8.4
69.49882	9.0
70.63869	1.7
73.02912	40.5
79.05480	6.2
79.36741	1.9
81.07054	14.9
85.02901	25.4
86.48010	2.4
87.04440	3.2
91.05482	5.2
93.07051	10.9
95.04915	2.5
95.08601	42.3
97.02885	23.4
105.07024	51.5
107.08591	13.8
109.02901	2.8
109.10146	29.1
115.03930	17.0
115.27471	1.9
117.07036	2.2
119.08572	90.0
119.17856	2.0
121.10101	8.1
123.11707	6.1
127.03901	11.4
133.04971	14.5
133.10121	28.7
145.04938	14.1
145.10143	3.3
147.11664	23.6
150.07541	3.8
159.11749	2.2
161.13254	21.4
163.06009	7.4
175.14767	6.2
177.05437	2.4
203.16010	5.0
203.17935	100.0
223.05949	2.3
235.48470	2.1
238.91368	3.1
241.07126	3.3
259.08090	8.2
276.90814	2.7
278.24872	2.0
295.10086	4.7
327.97626	2.0
335.22064	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2144
Annotation	6-Methoxygossypol
Peak:m/z	Relative Intensity
55.05487	2.4
56.96536	2.8
67.05457	3.2
68.17083	1.0
69.03376	2.0
69.07065	5.3
71.59962	1.9
72.80328	0.9
72.93773	1.3
79.05441	3.1
81.03402	1.2
81.07047	10.9
83.08575	2.2
85.02841	3.6
91.05418	3.1
93.07022	6.9
95.04930	1.8
95.08600	6.8
97.02834	2.2
97.10122	1.6
98.97500	1.6
105.06981	3.6
107.08528	4.6
109.06481	2.1
109.10136	5.5
116.98547	1.3
119.08500	3.2
121.10059	3.6
123.11642	4.5
125.35565	1.0
127.03805	1.9
127.07475	1.5
128.61769	1.0
133.10066	2.5
135.11607	2.1
139.11075	1.6
145.04857	1.1
145.10117	1.5
147.11600	2.8
151.11079	2.9
153.01749	2.4
159.11555	1.1
164.70940	1.0
175.03897	1.2
197.73212	0.9
240.90842	1.7
260.60553	1.0
276.90967	2.1
281.90997	1.4
286.13974	2.9
286.64734	1.1
289.24915	1.5
306.91934	1.7
308.26205	1.1
317.24500	2.1
335.25894	8.9
353.26608	4.5
379.18866	1.5
380.19443	1.1
381.18924	1.4
409.22577	1.2
423.15421	1.2
443.23065	2.1
445.20319	5.7
492.87518	3.7
523.85895	1.0
533.20782	100.0
533.70667	1.1
534.21710	2.1
537.02997	1.1
551.90039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.1
57.03437	19.7
59.04984	4.5
65.03930	5.3
67.05221	3.0
67.05505	32.4
69.03416	73.6
69.07049	12.3
69.52158	30.7
75.04460	5.1
79.05480	36.0
81.01871	3.4
81.03416	8.0
81.07049	97.5
85.02892	69.6
87.04459	54.1
90.92291	3.9
91.05483	24.9
93.07016	32.4
95.04958	4.1
95.08595	72.1
97.02872	69.6
105.07012	74.1
107.08586	63.8
109.02877	3.7
109.10147	58.6
115.03912	79.4
117.06890	4.6
119.08556	33.0
121.10152	31.1
123.11672	10.1
127.03851	6.7
131.08490	5.7
133.04945	100.0
133.05943	5.4
133.10112	22.4
135.11665	8.8
145.04930	11.8
145.10106	7.6
147.11655	55.7
150.07590	26.8
157.10237	4.1
159.11646	8.7
161.13203	14.0
163.06076	3.8
163.14632	4.1
170.03799	3.7
175.14748	9.2
183.11674	5.2
184.07359	6.3
185.16344	3.7
189.16316	4.9
201.16516	4.0
203.17926	82.1
210.99042	5.0
213.16670	4.0
287.95810	4.2
490.88794	5.3
518.64349	3.9
532.35352	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	532.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.6
55.89917	3.7
56.96555	4.6
57.03424	13.3
67.05493	34.7
69.03419	27.8
69.07053	13.7
69.84134	20.6
79.05474	14.3
81.07043	64.5
82.44938	3.5
85.02881	28.8
87.04445	22.9
91.05464	19.3
93.07014	30.0
95.04925	4.3
95.08591	73.3
96.04459	4.2
97.02883	33.0
105.07009	69.3
107.08583	59.6
109.10139	100.0
115.03912	41.8
117.07037	4.8
119.08569	42.6
121.10098	22.4
123.11681	10.8
127.03835	6.2
133.04944	44.3
133.10144	27.9
134.10107	4.8
145.10178	4.1
147.11671	81.0
150.07602	13.9
150.29556	3.8
161.13206	20.0
175.14812	9.7
197.33775	4.0
203.17929	70.8
278.95816	3.9
471.17874	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	532.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
56.05027	0.6
58.06618	0.4
60.08160	5.3
67.05502	0.4
69.07043	0.2
70.06583	0.2
71.07369	3.1
71.21380	0.3
81.07050	0.6
85.02906	0.3
86.09699	30.0
91.05477	0.4
93.07021	0.5
95.08600	0.4
98.98455	3.2
104.10736	4.2
105.07018	0.5
107.08581	0.4
109.10161	0.2
111.59811	0.2
119.08569	0.4
121.10159	0.2
123.11737	0.2
124.99997	19.4
143.01067	0.6
144.87271	0.2
147.11601	0.2
159.11774	0.2
184.07327	100.0
185.07678	0.3
203.17915	0.2
219.91286	0.2
258.11023	0.3
276.90723	0.2
304.92270	0.3
391.24731	0.2
490.88110	0.4
514.29382	0.9
532.30292	4.2
532.38434	0.4
549.89294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05505	23.1
56.38249	1.3
57.03410	2.3
57.07064	3.6
63.18874	1.5
65.03930	1.9
66.37411	1.4
67.05499	68.1
69.06718	1.9
69.07063	24.0
71.04973	4.3
71.60004	1.7
71.60406	2.3
73.70046	1.4
79.05482	40.6
81.03417	4.6
81.07048	63.9
83.04996	2.2
83.08598	12.7
85.04997	1.5
85.06538	5.2
91.05473	25.4
93.07036	43.5
95.04949	6.3
95.08595	82.4
96.83894	1.5
97.06523	5.7
97.10171	4.6
99.08082	3.1
105.07017	23.5
107.08572	23.9
109.06533	2.3
109.10141	19.4
111.08085	1.8
117.07039	4.3
119.08559	20.6
121.10105	15.5
123.11705	2.8
125.09631	1.7
127.92035	1.4
129.07034	3.5
131.08546	11.1
133.10121	18.1
135.11662	9.9
137.13271	2.8
141.06996	1.7
143.08519	2.5
145.10085	9.8
147.11679	8.0
149.13248	6.2
157.10059	2.4
159.11708	6.1
161.13228	14.6
171.11749	3.9
173.13287	5.4
179.14297	5.9
185.13293	2.5
187.14850	2.4
193.12334	1.9
197.15408	1.8
205.98883	2.0
214.41400	1.8
235.90126	2.4
243.21202	2.1
255.19415	2.0
261.22009	3.7
266.88806	2.0
267.89108	2.5
276.90991	4.1
277.91153	4.6
337.14221	1.9
421.34637	4.7
439.35803	5.3
457.36359	2.8
513.39197	5.0
531.40240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
51.02375	5.0
53.03934	7.1
55.01868	9.5
55.05513	43.6
57.03428	16.6
58.58326	3.8
60.40196	4.0
65.31738	3.8
67.05164	6.7
67.05506	100.0
69.07073	32.8
71.05004	6.0
71.59597	6.4
78.41203	4.4
79.05494	66.8
81.03429	7.8
81.07056	87.1
83.08608	17.6
85.06543	6.7
91.05477	63.0
92.15334	4.2
93.07034	59.4
95.04968	16.7
95.08610	49.6
97.06516	9.7
97.10168	16.2
105.07029	60.8
107.08597	44.4
107.20792	4.5
109.06499	5.5
109.10168	30.4
117.07002	23.1
119.08572	54.0
121.10134	26.0
123.11723	8.6
125.09657	9.3
128.06235	5.4
129.07018	17.8
131.08577	53.8
133.10118	48.6
135.11681	33.9
137.09619	6.0
141.07004	5.3
143.08528	24.8
145.10115	46.5
147.11707	27.4
149.13239	6.4
155.08571	15.3
156.09464	4.3
157.10121	35.9
159.11719	37.9
161.09665	8.2
161.13290	18.6
169.10106	15.5
171.11678	25.2
173.13272	18.0
175.14838	10.2
181.10120	9.7
183.11713	17.9
185.13260	23.6
187.14806	11.7
195.11844	5.4
197.11659	6.1
197.13266	14.4
199.14854	12.8
201.16470	4.7
209.13231	6.6
211.14764	5.7
213.16357	5.9
214.30751	4.2
225.16542	6.9
234.89726	6.7
235.89967	5.8
237.16624	4.8
241.19528	16.1
255.15869	19.1
259.20563	29.0
276.91135	7.6
279.41977	5.1
287.20316	5.5
333.24255	10.7
353.24854	5.4
388.76709	5.0
403.29691	7.2
409.30725	6.1
411.32629	10.5
421.31055	30.6
439.32132	23.4
457.33316	23.1
485.35785	8.4
495.34738	7.1
501.36008	5.6
503.37381	27.6
513.35846	93.7
531.36780	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20181	0.5
53.03938	1.3
55.01857	2.0
55.05505	5.8
57.03419	1.4
57.07055	1.0
65.03930	1.4
67.05495	30.9
69.03411	1.3
69.07056	6.7
70.20081	2.0
71.04987	3.0
71.08608	0.6
79.05483	17.9
81.03400	1.7
81.07045	25.0
83.04957	2.4
83.08609	2.7
85.06533	1.9
87.04478	1.0
91.05471	19.8
92.81025	0.6
93.07028	18.2
93.07616	0.9
95.04952	4.8
95.08595	11.6
97.06534	2.2
97.10130	0.9
99.04463	1.1
101.05967	0.6
105.07014	18.0
107.08580	17.3
109.06521	2.1
109.10142	25.4
111.08060	0.9
113.05994	1.1
114.11284	0.5
117.06307	0.5
117.06985	2.7
119.08546	3.9
121.10139	6.2
123.08069	0.7
123.11677	4.8
125.09588	0.8
127.07557	1.5
129.06985	1.0
131.08582	5.1
133.10115	29.1
135.08040	0.8
135.11679	4.4
143.08614	0.7
145.10101	3.2
147.11690	2.2
149.13223	2.8
151.11165	15.1
157.10222	0.7
159.11708	2.1
161.09540	1.0
161.13235	2.9
169.12244	4.0
171.11673	1.1
173.13292	2.4
175.14865	1.0
179.10718	1.5
187.14835	0.9
201.16347	0.6
215.12839	2.0
220.09787	0.5
243.21132	2.1
253.14322	35.4
261.22110	9.7
271.15396	0.9
317.24811	1.6
421.31522	0.6
439.32181	2.3
457.33124	1.6
513.35583	5.4
531.38409	100.0
532.38721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35518	0.6
53.03934	2.2
55.01860	2.1
55.05508	7.7
57.03430	1.9
57.07066	0.9
65.03935	2.1
67.05499	38.1
67.62167	0.5
69.03428	2.0
69.07063	10.1
69.45959	4.4
71.04993	2.9
79.05487	23.8
81.03423	1.8
81.07051	33.2
83.04988	3.5
83.08641	2.9
85.06522	3.1
87.04475	1.8
91.05476	24.3
92.05822	0.6
93.07040	25.1
95.04467	0.7
95.04958	4.5
95.08602	14.7
97.06533	2.0
99.04492	0.7
105.04517	0.6
105.07022	22.6
107.07853	1.2
107.08588	23.6
109.06490	3.1
109.10148	33.2
111.08080	0.9
113.06041	1.9
117.06998	3.6
119.08583	5.8
121.10140	8.9
123.08022	0.8
123.11694	4.9
125.09626	0.8
127.07560	0.9
128.06294	0.6
129.06993	0.9
131.08549	6.4
133.10121	37.9
135.11665	4.7
143.08559	0.9
145.10106	3.7
147.11700	2.7
149.13278	2.3
151.11177	19.3
152.59682	0.7
159.11720	2.6
161.09668	1.1
161.13321	1.7
163.14827	1.3
163.29782	0.7
169.12186	5.1
171.11717	0.7
173.13290	2.2
175.14917	0.9
185.13292	1.1
187.14821	0.6
215.12799	2.3
227.53085	0.7
243.21184	1.9
253.14331	35.6
259.20764	0.7
261.22131	9.1
261.24774	0.7
270.47849	0.7
271.15469	1.9
282.73962	0.6
317.24844	2.3
421.30905	0.9
439.31992	1.8
457.33179	2.5
513.35498	4.5
531.38391	100.0
532.38385	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	530.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64352	1.0
56.57275	1.0
56.96547	1.1
57.03428	6.3
57.07067	2.3
58.78226	0.9
59.04985	1.1
61.02915	1.2
65.58440	0.8
67.05499	1.3
69.03419	21.4
69.07085	1.3
71.08630	5.5
71.60113	1.2
73.02934	1.0
79.05482	1.7
81.03411	1.9
81.07060	1.7
85.02895	19.5
87.04461	15.8
91.05472	3.5
95.08608	1.2
97.02875	18.5
105.07011	9.7
107.08577	1.6
115.03918	28.1
115.90817	0.8
117.07002	4.1
119.08556	14.7
121.54636	0.9
127.03892	2.2
130.07776	4.1
131.08551	10.1
133.04947	30.2
141.50023	1.0
143.08580	1.1
143.90240	0.9
145.05000	2.7
145.10104	100.0
146.10443	1.7
146.97444	3.1
150.07596	5.2
157.10078	1.9
159.11673	15.9
163.05966	1.1
163.97752	2.6
172.73940	0.9
196.68562	1.1
201.16364	32.1
205.98784	3.8
207.06534	1.3
210.90045	1.0
225.88596	2.9
234.89897	6.9
248.87827	1.6
252.90953	1.2
266.88861	2.4
276.90829	10.2
277.09210	1.6
277.91327	1.6
289.91840	3.8
291.89709	1.1
299.92584	2.0
318.92068	7.4
331.92883	4.0
336.93100	1.7
341.93564	1.4
361.93970	1.5
474.02274	1.0
506.89600	1.9
530.35315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.0
51.88994	1.6
53.03938	6.2
55.01875	1.8
55.05255	2.1
55.05506	21.2
57.03423	5.4
57.07059	3.8
65.03944	2.6
67.05499	70.6
69.07063	23.2
70.34537	5.6
71.04977	3.9
73.02889	1.1
77.03929	1.2
79.02171	1.1
79.05486	58.4
81.03403	1.6
81.07047	79.1
83.04965	4.7
83.08615	15.8
85.06516	4.1
91.05470	33.1
92.96494	1.1
93.07034	67.0
95.04938	11.0
95.05395	1.1
95.08599	36.1
97.06528	10.4
97.10164	3.3
98.20681	1.6
99.08078	2.7
105.04500	2.1
105.07027	20.6
107.08582	36.0
109.06512	2.5
109.10149	11.8
111.08085	5.4
117.07001	12.0
119.08573	15.4
121.06456	2.1
121.10134	27.3
123.08058	1.9
123.11697	3.8
125.09587	1.5
129.06979	3.1
131.08557	18.0
133.10118	11.6
135.11691	17.7
143.08517	3.6
145.10071	13.5
147.11668	5.8
149.12051	1.7
149.13245	28.8
157.10152	3.9
159.11665	16.4
161.13257	4.6
171.11734	3.1
173.13206	6.1
175.14839	2.7
177.12741	4.6
185.13277	3.5
187.14732	3.3
195.13828	6.9
201.16316	1.8
211.14687	1.4
261.22009	6.1
312.04395	1.3
317.24811	1.6
419.32977	2.2
437.33743	6.9
455.35440	1.9
511.37708	2.9
529.38824	100.0
530.38763	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	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01868	1.4
55.05505	11.2
57.03426	3.8
57.07062	1.7
65.03930	2.2
67.05498	30.0
69.07059	13.6
70.19599	1.7
70.19990	1.6
71.04973	1.2
77.03964	0.6
79.05053	1.4
79.05486	20.6
81.07048	29.8
83.04971	1.6
83.08601	5.5
85.06539	1.9
91.05473	20.6
93.07034	25.2
95.04958	2.6
95.08596	20.4
95.49406	0.8
97.06517	2.9
97.10149	2.0
105.07022	22.2
107.08572	13.2
109.03471	0.7
109.10145	7.9
111.08064	2.0
117.07010	11.5
119.08571	15.7
121.10123	9.6
123.11695	2.7
128.06236	1.3
129.06984	5.5
131.08553	19.9
133.10104	13.9
135.11662	4.7
141.06981	1.9
142.07748	1.1
143.08507	8.9
145.10107	18.3
147.08098	0.8
147.11678	8.3
149.09656	1.2
149.13251	2.7
150.22768	0.8
151.11220	1.0
155.08546	2.5
156.09341	0.7
157.10103	9.4
159.11682	16.8
161.13184	4.1
167.08635	1.3
168.09279	0.8
169.10103	5.1
171.11673	8.5
173.13240	10.1
175.11206	1.1
175.14810	1.8
179.14418	1.0
181.10126	2.4
183.11719	4.0
185.13283	6.5
187.14832	3.9
195.11681	2.5
197.13275	3.1
199.14836	3.5
200.04150	0.8
201.16368	2.1
203.17830	0.8
209.13184	1.5
211.14877	1.8
213.16432	1.7
219.17451	1.0
223.14909	1.0
225.16377	1.1
237.16328	0.9
241.19757	1.0
257.18912	0.9
283.20447	0.8
285.22119	2.0
297.22256	0.8
299.23776	1.5
311.23849	1.1
313.25287	1.0
323.23581	0.8
325.25336	1.2
329.24655	1.2
337.24915	0.9
339.26871	0.9
343.26456	0.9
419.32816	4.0
437.34137	15.6
455.35065	6.6
473.36398	1.2
485.35916	0.8
493.36551	1.7
511.37805	8.1
529.38818	100.0
530.39227	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	529.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01859	2.6
55.05506	16.7
57.03430	5.2
57.07059	3.9
65.03924	4.2
67.05498	69.3
69.07062	23.4
71.04979	4.1
79.05485	54.3
81.03399	1.7
81.07049	75.6
83.04968	5.6
83.08609	13.3
85.06527	3.9
91.05473	33.0
91.05904	0.8
93.07031	68.6
95.04955	10.8
95.08594	38.1
97.06527	9.9
97.10176	2.2
97.83801	1.0
99.08088	1.5
99.32648	1.1
105.04597	1.3
105.07018	24.0
105.07674	2.2
107.08585	30.3
109.06528	3.8
109.10136	11.8
111.08082	4.4
117.06992	11.4
119.08576	12.8
121.10128	27.8
121.11006	1.2
122.01513	1.4
123.11678	3.4
129.07013	3.4
131.08548	19.9
133.10117	13.6
135.08101	1.2
135.11690	14.0
142.07825	1.1
143.08546	5.2
145.10107	10.6
147.11700	6.0
149.13235	27.2
149.14348	1.8
157.10165	3.7
159.11681	17.5
161.13263	4.0
163.14859	1.5
169.10182	1.9
171.11688	4.2
172.62294	1.1
173.13174	5.9
175.14856	1.7
175.73430	1.2
176.74457	1.6
177.12758	4.2
183.11746	1.4
185.13277	2.1
187.14833	3.6
195.12111	1.3
195.13803	6.1
211.14915	1.5
243.21130	1.4
261.22137	4.5
276.90814	1.7
317.24625	1.7
386.61499	1.3
437.34271	5.9
473.36230	2.6
511.37439	2.3
529.38855	100.0
530.39148	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01865	2.1
55.05263	1.2
55.05508	16.1
57.03421	3.2
57.07043	1.6
65.03928	2.4
67.05498	57.8
68.12162	1.3
69.07058	17.9
71.04971	3.2
79.05484	41.8
81.07047	67.5
83.04958	3.4
83.08605	10.4
85.06535	3.8
87.04486	1.7
91.05467	28.2
93.07034	54.0
95.04931	8.5
95.08591	33.2
97.06513	4.7
97.10158	2.8
98.26038	1.2
98.26617	1.3
99.08079	2.4
101.39859	1.3
105.07017	21.7
107.08589	29.2
109.06492	3.0
109.10172	9.2
111.08050	2.6
117.07014	10.3
119.08561	15.8
121.10139	19.9
123.08028	2.2
123.11700	4.9
125.09620	2.4
129.07022	3.8
131.08548	17.8
133.10114	13.7
135.11682	12.5
137.13240	1.3
141.79141	1.2
143.08563	5.0
145.10101	12.2
146.97409	1.5
147.11667	7.1
149.13220	17.1
151.11159	2.1
151.12326	1.4
155.08492	2.6
157.10127	5.5
159.11685	13.3
161.13235	4.1
163.97717	1.4
168.51260	1.2
169.10095	2.6
171.11702	4.2
173.13280	5.5
177.12770	2.5
183.11757	3.2
185.13202	3.7
187.14809	3.1
195.13751	9.1
197.13263	1.8
199.14877	3.7
201.16275	1.8
213.14729	2.1
234.89911	4.1
241.19382	1.4
261.22131	4.2
266.88837	1.5
276.90775	6.0
299.23691	1.7
299.92719	1.5
317.24637	1.3
318.91995	3.7
331.92737	2.2
355.93124	1.4
419.33289	2.5
437.34290	8.3
455.35172	3.2
463.88013	1.5
473.36111	2.8
480.58395	1.5
506.88889	1.8
511.37729	4.8
529.38843	100.0
530.39471	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03947	4.0
55.01864	2.2
55.05507	17.0
57.03428	3.3
57.07063	2.6
59.49824	0.7
65.03923	3.5
67.05498	50.7
68.05829	0.9
69.07060	17.2
69.47855	4.4
69.48263	1.9
71.04983	3.2
74.09708	0.8
79.05484	37.8
81.03413	2.0
81.07047	55.4
83.04971	2.8
83.08601	10.3
85.06550	2.7
86.37569	0.8
87.04452	1.3
91.05469	28.9
93.07030	44.1
95.04964	6.5
95.08593	29.7
97.06512	5.4
97.10170	2.4
99.08072	1.7
101.17522	0.9
105.04530	0.8
105.07016	21.8
105.07665	1.5
107.04968	1.1
107.08579	23.7
109.06535	1.9
109.10147	10.3
111.08091	3.1
115.05456	1.1
116.06184	0.8
117.07005	10.4
119.08569	16.1
121.10130	19.9
123.08075	1.1
123.11717	3.5
125.09611	1.2
129.06990	5.8
131.08556	18.7
133.10109	13.8
133.11066	1.2
135.11671	10.0
137.09605	1.4
141.07024	1.0
142.07684	0.7
143.08537	5.2
144.09319	0.9
145.10106	17.0
147.11671	7.0
149.09552	0.7
149.13248	12.7
151.11209	1.2
155.08530	2.4
157.10072	6.6
159.11674	14.9
159.12854	1.5
161.13220	4.7
169.10161	3.5
171.11644	6.4
173.13237	8.9
175.14839	2.2
177.12749	3.0
181.10168	1.3
183.11696	3.5
185.13269	4.4
187.14893	4.4
195.11772	1.8
195.13831	4.9
197.13269	3.0
199.14825	3.5
201.16418	1.6
209.13191	1.5
211.14803	1.1
213.16449	1.3
219.17480	0.8
223.14748	1.7
225.16380	1.5
226.50194	0.7
227.17828	1.0
234.89937	1.0
241.19548	1.4
261.22205	1.7
271.20554	1.3
273.22211	1.1
276.91101	1.2
285.22202	1.2
297.22327	1.0
299.23788	1.6
311.23584	1.1
313.25439	1.0
318.91739	1.3
332.30661	0.9
403.28305	1.0
409.34491	1.1
419.33072	3.6
437.34116	11.1
455.35388	5.0
473.36182	2.0
493.36380	2.2
511.37854	5.3
529.38824	100.0
530.39404	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	529.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38484	0.3
55.05500	0.5
55.06627	0.4
55.62449	0.3
56.35899	0.3
62.72958	0.4
63.78939	0.4
67.05496	0.6
69.03426	0.5
69.07061	0.9
70.07384	0.5
71.30229	0.6
73.02939	0.4
75.74905	0.3
79.05476	0.5
81.03433	0.4
81.07059	1.3
82.03703	0.3
83.08630	0.4
85.02903	0.8
91.05470	0.4
93.07054	0.5
95.08601	0.8
97.02875	0.7
105.07016	0.8
107.08595	0.8
109.02853	0.3
109.10143	0.7
120.75369	0.3
121.06536	0.4
129.12721	0.6
133.10168	0.5
135.11746	0.4
145.10109	0.5
146.97485	0.8
153.01851	0.6
177.05531	0.4
200.17175	0.4
203.05263	10.2
203.07085	0.6
203.47278	0.3
205.98738	0.6
224.87825	0.5
225.88661	0.9
233.89030	0.5
234.89929	1.3
240.74924	0.4
248.87781	0.5
250.89653	0.4
266.88889	0.4
276.90897	2.2
289.91879	0.7
318.92059	1.2
331.24994	0.4
331.92984	1.0
339.69360	0.4
349.27054	3.5
367.16150	0.4
367.28186	0.6
409.27881	0.9
463.87952	0.6
499.32352	0.7
529.33490	100.0
530.33807	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
62.66721	0.4
65.66975	0.5
67.05485	0.9
69.03406	0.7
69.07072	0.6
70.06569	0.5
70.25801	1.1
70.26196	1.0
70.61600	0.5
79.05469	1.3
81.07038	1.5
85.02885	1.1
91.03940	0.6
91.05476	1.1
93.07048	1.1
95.08567	0.9
97.02869	0.8
98.97587	0.5
105.07010	0.7
107.08582	1.0
119.08556	0.6
122.53264	0.5
127.03969	0.6
131.08575	0.7
136.00156	0.4
142.21826	0.4
144.71922	0.5
146.97461	1.1
163.97726	0.6
205.98825	0.6
219.87134	0.5
234.89928	1.7
245.15889	0.5
250.89529	0.5
263.44064	0.6
265.91965	0.5
266.88922	0.5
275.19940	0.6
276.90958	3.6
286.14529	0.5
289.91956	0.9
296.77490	0.4
316.90533	0.6
318.92102	1.3
331.92886	1.0
463.87939	1.3
481.89224	0.8
529.33392	100.0
530.33759	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	529.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.6
67.05505	0.6
69.03396	0.7
69.07054	1.1
70.06577	0.7
70.71472	0.4
70.71828	1.5
76.26955	0.4
79.05494	0.6
81.07051	0.9
85.02888	1.4
86.09711	0.5
88.03985	0.5
91.05474	1.1
93.07017	1.0
95.08601	0.5
97.02871	0.7
101.75665	0.4
105.07023	1.3
107.08575	1.4
109.10157	0.8
119.08559	0.9
121.10148	1.0
131.56145	0.5
135.07974	0.4
137.05975	0.6
145.10196	0.4
146.97406	0.5
147.04446	0.8
149.09558	0.5
153.01765	2.1
161.09627	0.5
163.07460	0.5
163.97664	0.6
173.67053	0.5
177.05571	0.5
205.98979	0.5
208.51215	0.5
234.89891	1.5
247.84644	0.5
266.88626	0.5
274.89578	0.7
276.91003	2.1
318.91931	1.0
331.19382	0.6
331.92783	0.7
332.19421	0.6
350.20493	0.6
383.14554	0.6
434.91098	0.5
463.88116	1.4
499.19229	3.4
511.19559	1.5
513.70825	0.8
529.20361	100.0
530.20630	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	529.335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.2
64.83192	0.2
67.05481	0.3
68.72482	0.2
69.07071	0.4
69.42158	1.9
70.06597	0.3
81.07021	0.3
85.02888	0.3
89.46790	0.2
91.05464	0.2
93.07020	0.4
95.04925	0.2
95.08589	0.6
97.02924	0.4
109.10168	0.3
112.73138	0.2
121.10211	0.3
135.11656	0.2
146.97461	0.4
177.05391	0.3
182.81387	0.2
203.05276	3.7
233.89124	0.3
234.89859	0.6
248.87865	0.3
266.89142	0.4
276.90973	1.4
318.92032	0.8
319.24805	0.3
331.93063	0.3
336.93091	0.5
349.27127	14.5
367.28162	1.2
409.28229	0.6
463.88004	0.4
481.89047	0.4
511.99863	0.3
529.33411	100.0
530.34015	1.5
547.89978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
57.03425	1.0
57.07069	27.7
59.04995	0.6
67.05493	6.0
68.05820	1.7
69.07060	4.4
71.08624	29.4
73.06552	8.7
79.05497	5.2
80.05820	1.3
81.03394	3.0
81.07039	5.6
82.03785	0.7
83.08607	6.0
85.06543	0.7
85.10172	29.8
87.04456	4.7
89.06021	100.0
91.05471	5.0
91.07591	1.0
92.05833	1.2
93.07037	4.9
94.07359	1.5
95.04990	1.3
95.08021	0.6
95.08601	2.7
97.10158	2.4
98.10563	0.6
99.11733	3.2
105.07021	3.9
106.07337	0.7
107.04910	0.7
107.07053	6.8
107.08582	2.2
108.08925	1.0
109.10174	1.5
110.88717	0.6
117.07001	2.1
117.09134	5.6
118.99080	0.7
119.08585	1.8
120.08933	0.9
121.10129	1.7
122.02254	0.7
128.06218	0.6
129.06996	3.1
130.08611	3.3
131.07042	1.1
131.08546	2.8
133.08586	52.4
133.10204	1.7
135.10182	1.5
138.19952	0.7
141.16350	5.3
142.07526	0.6
143.08586	1.6
144.08907	1.6
145.10121	2.8
146.10469	1.5
147.11731	0.7
155.08511	1.2
157.10114	2.1
158.10495	0.7
159.11710	1.2
161.11745	1.4
169.10095	1.5
171.11697	2.1
171.43161	0.6
174.13655	0.8
177.11209	17.9
181.10217	0.9
183.11673	1.2
184.12102	1.2
185.13309	1.5
185.18977	6.7
186.13580	1.2
193.12271	1.5
194.12549	0.8
198.97426	1.6
212.15074	0.8
216.18735	0.6
221.13817	2.9
226.21568	1.1
229.21628	10.3
239.14857	1.4
246.42625	0.7
265.16577	1.0
273.24200	5.7
283.17447	3.2
286.59164	0.7
327.20126	1.8
349.26581	0.8
371.22662	5.0
379.30527	0.9
396.55426	0.7
436.32806	2.5
454.33951	2.7
472.34732	1.7
510.36584	2.2
511.38300	10.3
528.24988	1.0
528.29993	1.3
528.37537	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69337	3.5
55.01855	5.5
55.05502	9.6
55.80103	3.3
56.96564	4.5
57.03428	6.1
57.07061	14.3
67.05492	6.7
69.03437	18.6
69.07064	54.3
71.04978	4.5
71.08603	7.2
71.59625	5.8
72.08136	3.2
73.06545	11.3
79.05486	8.2
81.07043	9.7
83.08610	4.7
85.02866	19.3
85.10125	4.2
87.04446	8.5
89.06036	27.6
91.05474	6.9
93.07035	6.4
95.08595	9.4
97.02889	18.5
98.97620	3.9
100.11231	4.3
105.07020	7.3
106.07469	4.2
109.06539	4.8
109.10125	6.1
111.11711	72.5
111.76377	3.3
115.03928	7.7
119.08574	6.1
120.43333	3.6
129.12750	97.5
130.41052	3.4
131.08510	5.9
133.04964	9.1
133.10138	5.9
143.08540	4.8
145.10115	6.6
153.01820	10.6
199.16898	21.4
205.44096	3.4
206.75458	3.7
217.17931	30.8
232.90398	4.4
248.55029	3.7
273.65500	4.4
274.91556	4.2
283.02432	6.5
284.02710	11.7
348.26041	9.0
481.89313	5.5
491.94431	3.9
509.03311	4.1
528.32349	100.0
529.33521	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	528.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98416	1.5
55.07488	1.4
56.96558	4.3
57.03449	1.4
66.40759	1.2
67.05491	6.0
69.03419	3.6
69.07079	4.6
71.04975	3.1
71.23046	2.3
71.23370	1.5
79.05486	6.6
81.03404	2.7
81.07040	8.3
83.04980	2.1
83.08598	2.0
85.02902	6.4
91.05457	10.2
93.07045	13.3
95.04974	2.5
95.08591	4.1
97.02887	3.1
105.07023	12.6
107.04919	1.6
107.08595	10.6
109.02873	1.6
109.06504	3.8
109.10146	27.4
113.09673	1.4
117.06996	4.8
119.04958	2.3
119.08553	8.9
121.06446	2.3
121.10132	50.9
121.11014	2.8
123.08049	1.9
123.11689	2.4
127.03902	3.4
129.06941	1.5
131.08572	7.3
133.10141	8.8
135.08006	8.5
135.11664	2.8
137.09602	16.2
145.02760	1.5
145.06480	2.0
145.10098	2.9
147.04390	1.6
147.08014	3.1
147.11665	4.1
149.09604	36.8
149.10739	2.8
151.11214	3.3
153.01802	5.7
155.08562	1.5
157.10120	1.9
159.08044	3.1
159.11621	2.0
161.09538	1.7
161.13264	2.3
163.07538	5.4
167.06953	1.8
169.10039	1.8
173.09575	1.6
173.13266	1.9
175.14824	5.4
177.05389	1.5
177.09129	5.4
177.16383	3.8
183.11681	2.0
185.13248	3.0
189.12759	3.9
197.13603	1.4
203.05891	1.6
207.06755	1.6
221.04517	2.7
222.04730	2.1
225.16353	1.6
226.98708	2.0
241.07416	10.7
242.07828	8.4
259.08557	8.7
260.08884	5.6
267.17395	1.6
281.06644	1.9
285.18457	4.1
295.16986	1.9
301.09503	4.9
302.09964	4.8
303.19531	9.1
313.17950	14.2
324.10614	1.5
331.19006	100.0
349.20041	42.5
376.17209	1.4
391.98154	1.5
428.13431	1.6
468.19247	1.8
528.22638	9.4
529.21204	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	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12586	0.9
53.03937	2.7
53.34561	0.8
55.01865	3.3
55.05506	15.9
57.03432	3.3
62.15144	0.8
65.03918	2.0
67.05500	36.9
69.03429	1.4
69.07065	9.2
71.04969	1.8
71.59767	1.9
73.15152	1.0
76.80239	0.9
79.04763	1.2
79.05061	1.8
79.05490	29.6
79.05957	1.6
81.03412	22.6
81.06573	1.6
81.07052	32.1
82.14992	0.9
83.04980	3.8
83.08602	11.3
85.06528	2.2
91.05474	22.0
93.07033	25.5
95.04956	9.7
95.08594	18.4
97.06547	1.6
97.10162	8.3
100.47508	1.0
105.07017	17.7
107.08596	17.2
109.06499	1.5
109.10137	11.0
111.08100	2.0
115.05436	1.2
117.07018	9.5
118.20634	1.1
119.08569	14.5
121.10144	10.4
123.04446	1.1
123.08073	1.6
123.11675	2.3
124.93702	1.2
125.09613	6.5
128.06245	2.1
129.07005	7.9
131.08568	15.9
133.06448	1.2
133.10103	10.4
135.07993	2.3
135.11674	7.4
141.06938	1.5
142.07764	2.5
143.08574	9.0
144.09363	1.0
145.02792	1.6
145.10135	13.4
147.08043	2.3
147.11687	8.8
149.09610	1.7
149.13261	3.1
153.07048	1.1
155.08499	5.1
155.15927	1.0
157.10130	10.5
159.08043	1.1
159.11655	9.4
161.13249	3.2
167.08612	1.9
169.10094	6.9
171.11697	6.7
173.09615	1.3
173.11882	1.2
173.13197	4.9
175.11261	2.1
175.14816	1.4
177.05470	5.1
181.10167	3.7
183.11728	3.5
185.13261	5.1
187.14821	3.4
189.11198	4.4
193.12215	12.1
195.11729	1.8
197.13278	4.2
198.97421	9.9
199.14798	3.0
201.16350	1.3
209.13240	2.2
211.14873	1.7
213.16374	1.9
225.16396	2.4
237.16202	1.0
252.90570	1.0
259.20609	1.7
261.22214	3.2
275.36203	1.0
295.20572	1.1
297.22046	1.4
299.23688	1.2
301.25262	2.2
315.23306	2.0
320.60818	1.1
327.23206	2.2
417.31586	2.9
435.32605	9.3
453.33554	11.3
471.34674	6.2
491.35562	1.2
509.36325	4.4
527.23712	7.9
527.37317	100.0
528.24567	1.3
528.37836	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	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01860	3.7
55.05502	19.7
57.03424	2.1
57.07061	3.0
59.04988	1.0
62.01630	0.6
65.03921	1.4
67.05496	40.2
69.03403	2.4
69.07057	10.9
69.47658	1.1
69.48057	4.7
71.04980	1.8
71.08619	1.6
79.05484	31.7
79.25699	0.7
81.03407	33.5
81.07045	32.3
83.04961	3.2
83.08135	0.9
83.08606	12.8
85.06534	2.1
89.05998	2.4
91.05470	26.8
93.07031	26.4
95.04954	12.8
95.08592	18.0
97.06517	2.1
97.10152	11.6
99.08064	0.8
105.07016	20.4
107.04939	3.1
107.08579	16.8
109.06493	2.8
109.10139	14.2
111.08047	3.9
115.05441	1.7
117.06998	10.0
119.04961	0.8
119.08567	16.8
121.06485	2.4
121.10127	11.8
123.08040	1.0
123.11678	2.4
125.09599	7.4
128.06203	2.1
129.06984	9.5
131.08540	16.5
132.98303	0.6
133.06506	0.8
133.08560	1.4
133.10107	11.0
135.08014	2.9
135.11665	7.7
137.09613	1.2
141.06966	2.5
142.07750	3.3
143.08545	8.7
144.09225	0.7
145.10103	12.5
146.13631	0.6
147.08028	1.9
147.11673	8.9
149.09595	1.9
149.13223	4.6
153.09117	1.5
155.08508	4.4
157.10112	11.3
159.11665	9.6
161.13210	5.1
163.11206	1.3
163.14775	0.7
165.12802	0.8
167.08589	1.3
169.10088	6.1
170.10954	0.8
171.10217	1.0
171.11646	6.6
173.11852	1.5
173.13242	6.2
175.11130	3.6
175.14796	2.4
177.11296	1.1
179.08586	0.8
181.10149	3.0
183.11702	5.6
185.13234	4.5
187.14822	2.2
189.11139	5.1
193.10397	1.6
193.12201	14.8
195.11731	2.9
197.13295	4.3
199.14795	3.8
201.16396	1.4
209.13271	2.5
209.76395	0.7
211.14804	1.7
213.16426	1.1
219.11627	0.7
221.13353	1.1
223.14764	1.8
225.16357	1.9
237.16373	1.1
239.18077	0.7
243.21106	1.7
249.14780	2.0
261.19519	0.9
261.22052	5.7
273.22034	0.8
297.21973	0.9
299.23721	3.1
301.25040	3.3
309.21899	0.9
311.23831	0.9
317.24594	1.2
323.23541	0.9
327.23367	1.0
332.92868	0.9
337.25381	0.8
341.24689	1.2
417.31589	2.6
435.32474	10.2
453.33728	12.3
454.34158	1.0
471.34613	9.1
509.36203	4.2
517.13818	0.7
527.37262	100.0
528.37695	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	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
55.05506	11.1
57.03423	2.4
57.07065	2.1
63.47805	1.0
65.03931	1.4
67.05502	25.0
69.07059	11.1
71.04977	2.5
79.05487	18.1
81.03391	3.6
81.07053	23.3
83.04982	1.8
83.08630	6.1
87.66759	1.0
91.05467	19.2
93.07030	16.8
95.04940	3.4
95.08591	14.9
97.06511	2.4
97.10162	3.5
98.21455	1.8
101.30621	1.1
105.04443	1.0
105.07023	16.3
107.08584	13.1
109.10148	6.6
111.08060	2.2
116.06274	1.1
117.07008	11.8
119.08557	17.3
121.10133	6.6
123.08021	1.4
123.11639	2.2
123.15974	0.9
125.09681	1.1
128.06210	2.9
129.06996	12.1
131.08556	18.1
133.10118	10.2
135.11670	5.3
140.59622	1.3
141.07010	3.3
142.07758	2.8
143.08542	14.2
145.10115	13.4
147.11681	6.2
149.09631	1.3
149.13271	2.1
153.06938	1.1
154.07747	1.6
155.08542	9.4
156.09302	3.1
157.10114	16.4
159.11670	11.9
159.12863	1.5
161.09657	1.2
161.13307	2.8
167.08572	3.1
168.09343	1.7
169.10094	8.6
170.10970	1.4
171.11676	14.7
173.13292	6.6
175.14900	1.3
179.08574	2.3
181.10123	5.4
183.11673	10.5
184.12398	1.3
185.13257	8.1
187.11183	1.2
187.14787	2.9
193.10092	1.5
195.11739	8.0
196.74164	1.0
197.13187	8.2
199.14865	4.5
207.11743	2.8
208.76396	1.1
209.13214	5.6
211.14804	4.7
213.16446	2.0
221.13251	2.8
223.14885	3.3
225.16444	2.9
229.67610	1.1
235.14771	2.1
235.16878	1.3
237.16470	1.7
239.17867	1.8
243.98390	1.2
249.16502	1.7
255.17535	1.3
259.20660	1.6
265.19806	1.6
281.19165	1.2
297.21814	1.3
311.23615	1.9
323.23630	2.1
327.23022	1.6
341.24734	1.9
353.24582	1.6
367.26361	1.6
400.34244	1.1
417.31531	9.3
429.29749	1.2
435.32532	19.9
436.32443	1.3
453.33582	8.7
471.34793	3.4
473.34326	2.1
491.34695	2.4
509.36179	12.1
527.37280	100.0
528.37494	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	527.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85456	0.2
55.05490	0.2
67.05480	0.2
69.03432	0.3
69.07054	0.4
69.40458	1.9
74.41779	0.2
79.05481	0.2
81.07053	0.2
85.02895	0.6
91.05466	0.4
93.07027	0.4
95.08598	0.3
105.07027	0.2
107.08562	0.2
109.10161	0.3
121.10146	0.3
145.10188	0.3
149.09589	0.2
154.08359	0.2
203.03375	0.4
203.05254	5.0
203.07047	0.3
272.14554	0.5
272.65021	0.2
274.66241	0.2
275.09268	0.2
317.24506	0.3
347.25531	10.3
348.26129	0.3
365.26627	0.9
405.13504	0.7
407.26431	0.4
497.30829	0.7
500.08508	0.2
527.31873	100.0
528.32251	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41921	0.3
52.73244	0.2
53.13703	0.2
53.20227	0.2
55.05508	0.5
57.07050	0.2
57.94857	0.3
67.05501	0.5
69.07053	0.4
69.92520	0.3
70.31028	1.1
81.03420	0.4
81.07058	0.6
89.58765	0.2
91.05488	0.6
93.07008	0.3
95.08620	0.4
96.50330	0.3
97.02908	0.3
97.06487	0.3
98.21398	0.3
104.78204	0.3
105.07043	0.4
119.08601	0.3
173.09665	0.3
212.11969	0.3
222.87932	0.3
230.64275	0.4
230.66716	0.3
248.16051	0.3
298.13187	0.3
298.82297	0.3
335.02078	0.3
335.24158	0.4
349.51102	0.3
365.25867	1.2
434.02582	0.3
527.31879	100.0
528.32220	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01857	6.9
56.05018	3.2
57.03413	3.4
69.03416	9.9
70.06577	4.3
71.59350	2.5
72.08151	2.9
72.88573	2.8
79.01836	4.1
81.03413	23.1
84.08137	7.3
85.02896	13.7
91.05434	3.2
95.04959	2.8
97.02894	14.6
98.06025	2.8
99.04462	4.0
107.04946	3.5
108.04451	7.9
109.02882	44.6
110.07153	3.7
112.11234	8.1
119.04912	3.2
127.03904	32.8
138.05522	3.8
143.03334	3.5
145.02815	2.9
147.04420	4.5
148.03911	4.0
148.07590	3.6
152.07043	3.6
152.16037	3.4
153.01801	17.7
154.02173	2.8
161.07042	4.4
161.10808	2.7
163.03854	5.9
164.06953	2.9
165.08997	3.6
166.04907	6.3
168.06578	5.8
168.08006	3.3
171.02849	4.4
171.09187	4.3
174.09155	7.7
175.08636	22.1
176.07037	21.3
177.05431	5.9
178.08702	3.4
182.04428	3.6
189.10211	15.5
191.08055	3.0
194.04488	12.0
196.06070	4.7
199.05992	4.3
199.08739	14.8
200.07085	10.1
202.08737	6.6
203.08154	47.4
204.06651	6.1
205.09764	2.5
213.10165	13.1
215.08084	3.6
216.10313	2.8
217.06212	4.5
217.09714	38.2
220.09688	4.0
227.08092	21.3
228.06552	8.0
228.08852	4.8
229.09525	3.4
231.07661	5.8
231.11247	4.4
233.12776	2.8
241.09712	22.9
242.07938	7.4
245.09193	91.5
247.10808	7.8
250.07117	19.3
257.23593	2.9
259.07111	3.5
259.08234	3.1
259.10779	24.3
260.58945	2.7
263.10257	23.2
269.09232	12.6
270.07471	5.1
271.10861	6.3
273.08707	24.7
277.03568	4.6
277.11545	3.5
287.10211	51.7
289.11807	5.3
291.09698	20.1
291.17032	3.4
297.08759	4.6
303.01230	7.7
305.11282	49.7
315.09723	28.2
323.05646	3.7
323.12305	7.7
329.11316	5.6
333.10760	24.4
344.22540	2.7
347.12363	40.6
351.32153	2.4
365.13422	46.5
371.12399	4.0
375.11945	9.7
389.13348	8.1
399.12085	3.4
405.10553	3.0
407.14508	39.2
408.14578	4.2
413.13474	5.4
417.13150	9.2
431.14517	28.7
435.13773	8.4
441.12955	18.9
449.15457	28.4
459.14020	46.2
467.16461	22.2
473.15546	21.6
477.14893	24.9
485.17499	3.5
491.16556	72.3
492.01578	2.8
492.16299	4.7
509.17563	100.0
527.18567	11.4
527.31299	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	527.1579
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
55.01822	0.5
64.61380	0.4
69.03385	1.5
71.58133	0.8
73.02860	0.7
77.77059	0.4
79.68429	0.5
81.03393	0.5
85.02891	3.2
86.03151	0.5
97.02853	1.2
112.89562	0.7
113.10930	0.4
127.03866	2.0
145.01593	0.5
145.04927	1.4
154.41667	0.4
163.02652	0.6
173.02892	1.1
175.02753	0.5
183.05055	0.4
184.04994	0.5
185.04216	9.6
187.38908	0.5
193.05484	0.6
203.05254	14.1
205.03725	0.5
245.05061	2.7
246.05421	0.6
247.04836	1.4
248.04965	0.4
262.62421	0.4
274.08087	0.7
274.58353	1.1
274.79651	0.4
305.08432	0.6
347.09396	11.8
363.09244	0.5
365.10513	64.4
366.10437	0.4
427.11075	0.6
452.71814	0.5
520.24603	0.5
527.15765	100.0
528.16351	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91774	1.3
55.05490	3.0
57.07073	64.7
63.01162	1.2
67.05506	2.2
68.58427	1.2
69.07070	8.9
70.11961	5.0
71.08627	58.2
73.06552	5.6
73.59492	1.3
79.35958	1.5
79.83203	1.2
83.08604	3.3
85.10181	41.2
87.04449	4.6
89.06024	100.0
97.10154	3.9
99.11711	6.4
107.07052	5.4
111.11703	5.3
113.13274	5.2
117.09118	4.9
125.13268	2.3
127.14814	3.3
130.08640	4.4
133.08600	74.0
135.10191	1.5
177.11186	31.6
194.17661	1.2
195.12326	1.6
221.13829	5.6
227.23679	1.7
239.14871	4.6
262.33691	1.5
271.26245	5.1
283.17438	3.6
315.28885	4.7
327.20111	21.6
484.91162	1.5
509.40533	18.1
526.35791	2.5
527.37134	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	527.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41434	0.9
53.20409	1.1
57.03424	1.4
61.02917	1.9
63.27835	1.0
69.03424	9.8
69.72528	6.8
73.02893	1.9
84.04518	0.9
85.02899	15.3
86.03250	1.8
90.23689	1.0
97.02890	3.9
98.21084	3.7
103.24933	1.0
111.02092	1.0
114.68816	0.9
119.01904	1.5
127.03916	6.5
128.04279	2.3
145.01692	1.5
145.04939	4.4
157.01680	1.3
161.02997	1.6
163.02737	3.2
184.04895	1.3
184.55095	1.5
185.02837	1.3
185.04214	10.8
187.02824	2.5
203.05286	15.0
205.03609	1.5
245.05087	3.9
246.05202	2.8
247.04977	4.1
265.57883	1.8
273.58301	2.7
274.08179	2.4
274.58371	2.4
347.09512	10.4
365.10541	64.1
366.10333	1.5
367.09271	2.1
427.11188	2.3
444.89197	1.2
527.15784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.4
57.07070	58.1
60.55400	1.4
67.05483	2.5
69.07056	9.1
69.26997	18.2
71.08623	50.8
73.06532	3.3
81.07053	1.7
83.08601	4.0
83.99112	1.5
84.33238	1.4
85.10173	37.8
87.04446	3.9
89.06023	100.0
97.10144	4.0
98.20750	3.2
99.11723	6.5
107.07045	4.4
107.91540	1.6
111.11716	3.4
112.11089	1.7
113.13272	6.3
117.09125	3.6
125.13245	3.7
127.14815	4.6
130.08580	2.6
133.08591	69.8
155.06308	1.8
161.11583	2.6
177.11214	27.3
203.81990	1.6
213.56213	1.5
221.13812	3.3
222.40405	1.6
239.14903	2.8
251.68121	1.6
271.26291	4.0
276.67227	1.5
283.17490	4.4
315.28830	4.4
327.20071	23.1
509.40506	20.1
526.35449	3.2
526.42499	1.9
527.37000	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	525.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05903	1.4
55.05503	2.4
57.07066	36.5
61.88292	1.3
67.05478	2.4
69.07059	3.2
69.89588	7.5
71.08623	25.9
72.61514	1.4
73.06549	7.1
79.05478	1.5
83.08608	2.9
85.10168	23.0
87.04449	5.5
89.06016	100.0
91.05454	1.9
93.07008	1.7
95.08598	3.9
97.10152	3.3
99.11729	3.7
105.07011	2.3
107.07061	5.6
117.09116	4.9
130.08609	3.6
133.08583	41.8
146.97443	1.6
155.01614	1.4
155.17950	2.9
177.11176	11.4
183.11740	1.8
199.20592	3.1
221.13910	1.4
239.14882	2.1
243.23145	2.3
434.19705	1.3
525.35803	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	525.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.8
57.03413	2.8
57.07064	9.1
57.67879	2.9
58.06580	4.4
67.05494	32.2
69.03414	9.9
69.07066	24.2
69.97313	12.2
69.97724	6.0
70.06573	5.6
71.04978	14.4
72.08153	5.6
78.39260	3.0
78.75641	3.1
79.05463	10.0
81.03406	8.1
81.07052	58.3
81.83382	3.2
83.04967	3.4
83.08590	11.4
84.08147	16.4
85.02907	22.4
85.06536	100.0
89.03924	4.3
91.05468	16.3
93.07043	16.8
95.04940	4.5
95.08597	47.6
97.02867	7.9
97.06533	6.3
97.10159	5.6
99.08083	12.5
105.07008	5.9
106.86292	3.1
107.08568	23.6
108.17527	2.7
109.02879	6.6
109.10139	47.1
111.08055	7.9
111.11700	5.2
112.11238	40.5
113.09676	3.4
117.03374	12.7
119.04920	19.9
119.08572	12.0
121.06474	3.7
121.10133	19.3
123.08079	3.5
123.11703	19.3
123.73463	3.0
125.02303	4.0
125.09648	17.0
125.20792	3.0
127.03882	7.5
129.13853	32.4
133.10133	5.2
135.11685	23.4
137.05981	4.1
137.09569	3.9
137.13231	15.6
139.11189	5.0
145.02829	47.5
145.04785	3.4
147.04391	65.2
149.05916	3.8
149.13255	18.2
153.01811	35.2
153.12733	7.5
155.11818	4.0
163.14803	10.6
167.07048	5.8
167.08443	4.5
167.14325	4.8
171.02904	4.1
171.13803	8.2
175.14848	5.7
177.05463	84.2
177.07050	4.4
177.16399	4.7
178.05759	3.1
193.15839	6.5
204.10197	18.2
207.06424	4.1
211.16895	7.9
225.40964	3.2
233.12836	3.8
234.11215	59.3
240.55107	3.1
275.17511	21.9
279.26868	16.0
287.05524	4.4
291.26776	26.5
297.27850	13.3
305.18570	29.7
309.27856	26.5
327.28940	12.5
356.99014	8.9
361.02261	13.4
374.99692	7.0
379.03702	3.9
379.26730	5.5
423.00247	3.8
495.90454	4.2
525.30792	99.6
537.91724	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	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44545	3.0
55.05496	15.5
57.07070	4.8
59.73792	2.6
67.05504	22.8
69.03413	6.3
69.07064	46.1
69.63178	13.7
69.63599	9.1
71.66418	3.1
72.75822	3.1
79.05480	12.9
81.07053	100.0
82.07384	3.2
83.08585	14.7
84.08176	3.2
85.02888	11.6
85.06540	26.4
91.05456	5.9
93.07054	19.2
95.04966	4.6
95.08040	5.2
95.08599	57.8
97.02869	7.2
97.06538	6.1
97.10172	9.7
99.08091	58.5
104.16141	3.3
105.07041	4.0
107.08598	22.6
109.10149	46.7
111.08086	7.2
111.11695	12.4
115.62898	2.9
117.24590	2.8
119.08568	6.3
121.10114	18.4
123.11705	31.8
127.11209	11.1
132.14056	2.9
133.10133	4.0
135.11673	21.2
137.05936	4.6
137.13225	7.9
139.11179	8.5
147.04390	4.9
147.11653	7.2
149.13216	24.4
153.01814	13.8
153.12726	4.9
159.11681	3.9
163.14868	3.4
165.12816	4.9
176.48744	3.1
177.05435	10.3
177.16385	3.8
202.92378	3.0
205.19577	10.6
211.16936	6.4
213.18355	4.8
217.85915	3.0
223.20552	26.5
234.11388	4.6
241.21568	9.3
285.10095	6.3
291.26840	14.4
297.27823	7.5
305.18604	3.3
309.27832	23.7
327.28992	8.1
345.30191	3.5
420.20068	3.2
444.69702	3.1
474.52838	3.5
525.30194	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	525.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.3
67.05489	0.5
69.95730	1.2
79.05466	0.5
81.07034	0.6
88.17159	0.3
91.05463	0.6
93.07039	0.6
95.04987	0.4
96.80386	0.3
97.02898	0.4
105.07014	0.4
107.08543	0.4
119.08617	0.4
121.06521	0.3
121.10114	0.4
146.35219	0.3
147.59155	0.3
185.55530	0.3
235.28047	0.3
247.16545	0.3
276.91971	0.3
318.65390	0.3
345.23816	0.5
347.25552	4.9
363.25055	2.2
375.04391	0.3
465.14975	0.5
495.29291	1.3
525.30304	100.0
526.30664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.9
57.07058	12.2
67.05492	17.2
69.07048	41.6
70.11433	46.0
79.05461	10.2
80.10397	8.7
81.07044	100.0
83.08600	16.2
84.81114	8.5
85.02905	13.1
85.06510	25.7
87.33882	9.9
88.44089	8.9
91.05464	12.6
91.74121	7.7
93.07025	33.0
95.08582	81.8
97.10128	15.3
97.53138	8.9
99.08047	12.6
107.08568	41.1
109.10130	64.1
112.11201	9.3
119.08580	13.8
121.10123	20.2
123.11681	39.7
125.09526	9.4
133.10155	11.3
135.11652	15.4
137.13274	29.0
149.13257	49.8
153.01828	23.0
163.14836	12.3
175.14719	8.8
184.40547	9.3
223.20616	17.7
279.26834	14.2
291.26810	28.1
294.60120	9.7
297.27777	15.7
309.27911	44.6
327.29056	14.1
525.30719	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	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.05512	8.2
57.03429	2.5
57.07065	9.1
57.88381	1.2
60.78504	1.3
61.02905	1.5
67.05163	2.1
67.05495	26.0
68.56525	1.3
69.03407	8.9
69.07052	17.0
69.44816	12.5
71.04984	1.6
73.02888	2.2
79.05483	7.9
81.03397	5.1
81.06566	2.8
81.07046	45.2
83.04956	3.2
83.08616	8.5
85.02882	9.5
85.06532	100.0
85.63686	1.3
86.06871	4.2
89.56669	1.3
89.77312	1.2
91.05457	6.1
93.07029	16.1
95.01340	2.0
95.04935	3.6
95.08591	40.3
97.02850	7.4
97.10145	5.1
98.21526	2.3
99.08068	7.4
100.11135	1.1
102.70067	1.4
105.07021	5.4
107.08583	21.7
109.02855	5.2
109.06520	2.7
109.10140	46.9
110.10404	1.2
111.08048	4.9
111.11695	2.7
112.11219	3.2
114.09090	1.3
117.03321	1.4
119.08566	15.8
121.10102	13.7
123.08029	4.2
123.11700	18.3
125.02298	3.5
125.09619	15.9
127.03925	4.4
127.11181	1.9
129.13933	1.5
130.14149	1.4
133.10101	8.9
134.10403	1.4
135.11670	30.4
136.11919	1.8
137.09578	4.5
137.13239	9.7
139.11119	1.5
143.03381	4.1
145.02815	3.5
145.04910	1.5
147.04356	6.3
147.11676	2.6
149.09683	1.6
149.13248	11.3
151.11246	3.3
151.14790	4.0
153.01813	66.7
153.02893	2.4
153.12675	3.6
163.14757	8.0
165.09106	1.6
165.16243	1.4
166.08611	2.0
167.14316	2.7
169.12270	1.7
171.02936	7.9
171.13789	5.8
175.14783	14.4
177.05466	4.5
177.09106	1.5
177.16446	3.6
191.17923	2.2
193.15872	17.0
193.19521	1.6
195.13803	2.3
196.14105	6.0
196.32716	1.7
203.17830	1.9
205.19518	1.7
211.16885	29.1
217.19536	2.9
225.94441	1.6
273.25714	2.8
279.26743	11.3
291.26743	16.0
292.85684	1.3
297.05933	3.5
297.27893	8.4
309.27841	21.7
313.12021	1.7
315.07022	6.1
327.28906	11.0
345.29910	4.9
361.09232	2.4
363.09631	2.4
410.21222	1.5
436.51196	1.5
525.31097	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	525.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36100	0.3
54.31208	0.3
55.05513	0.4
62.07671	0.3
70.79171	1.0
71.13889	0.3
81.07057	0.5
87.37932	0.3
88.96863	0.3
95.08617	0.4
100.75255	0.3
116.89397	0.3
146.97369	0.7
153.01791	0.4
153.76208	0.4
156.86987	0.4
218.62654	0.4
264.10684	0.3
272.50861	0.4
284.31961	0.3
363.25003	2.2
363.28946	0.4
495.90240	0.5
525.30322	100.0
526.30670	1.4
537.91541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2332
Annotation	Mascaroside
Peak:m/z	Relative Intensity
53.03938	1.5
55.05507	4.6
56.73638	0.9
57.03419	1.5
57.07051	3.3
62.35030	0.7
67.05498	10.4
68.86768	0.9
69.03424	5.9
69.07058	8.8
71.04984	2.2
71.08595	1.1
79.01830	3.0
79.05474	2.2
81.03420	7.3
81.07047	14.7
83.04958	4.1
83.08617	5.2
84.08147	1.0
85.02888	5.4
85.06536	16.4
91.05454	2.7
93.07017	7.1
95.08599	21.6
97.02885	6.8
97.06547	0.9
97.10165	1.7
99.08077	2.7
105.07004	3.0
107.01288	1.8
107.08578	11.5
109.02874	5.2
109.06499	3.6
109.10146	47.9
111.08070	2.7
112.11231	1.2
113.09594	1.0
117.07015	1.1
119.08572	15.9
121.10150	6.5
123.08052	7.7
123.11726	6.6
125.02338	3.8
125.09612	3.2
127.03915	8.5
129.13910	0.9
133.10123	10.4
135.11679	41.4
137.09613	7.9
137.13210	1.6
139.11118	1.1
143.03365	4.8
145.02806	1.3
145.04988	1.5
147.04388	1.9
147.11652	1.5
149.13277	5.1
151.11157	4.1
151.14757	5.3
153.01813	100.0
153.12669	1.4
162.60916	1.2
163.14787	1.6
165.16432	2.1
171.02864	11.9
171.13840	1.0
175.14815	20.3
177.05486	2.1
177.75426	1.0
183.62534	1.0
193.15858	27.7
199.38536	0.9
204.96667	0.9
211.16913	48.9
273.25574	1.1
279.26834	1.9
288.24713	0.9
291.26752	3.3
297.06021	6.8
297.27866	1.3
305.18332	1.1
309.28043	4.6
315.07086	7.8
327.28891	1.7
525.30707	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	524.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05503	3.9
56.96549	2.2
57.03399	1.1
62.06081	1.1
63.98006	0.7
67.05495	4.4
69.03411	1.4
69.07079	4.2
70.50619	2.7
73.53558	0.8
79.05479	5.0
81.07053	20.6
83.04964	2.5
83.08603	2.0
85.02894	1.9
86.29601	0.7
91.05448	2.3
91.66240	0.9
93.07038	4.1
95.04954	1.1
95.08606	6.1
95.69178	0.7
97.02831	0.9
97.06488	1.4
98.97521	0.9
105.07004	3.6
107.08569	4.4
107.09247	1.3
109.06509	8.4
109.10137	3.1
111.04438	15.3
111.08062	1.4
119.08550	4.7
121.10138	4.1
123.08022	2.1
123.11665	2.7
125.05959	5.3
131.08554	1.7
133.10127	4.8
135.08046	1.6
135.11655	3.1
137.05963	100.0
137.13193	1.6
139.07498	1.0
145.10098	1.6
147.08086	1.2
147.11703	5.9
149.09584	3.6
149.13240	1.5
151.07526	2.9
151.11195	0.8
153.01860	1.3
157.10110	2.2
161.09622	6.9
161.13214	2.0
161.81900	0.8
163.11159	3.0
163.14732	1.0
164.10617	0.8
165.09088	1.4
169.53372	0.8
171.11705	1.0
173.04782	0.8
175.11191	4.8
179.10669	1.9
181.09959	1.0
182.11409	1.8
189.12566	1.3
191.11909	3.0
191.61966	1.0
193.12210	1.4
203.17923	5.3
213.16418	2.3
221.18962	1.9
223.14835	1.1
230.65953	0.8
231.17415	8.8
241.15886	1.4
249.18419	6.6
272.14536	11.4
272.64764	1.8
277.17969	44.3
295.15775	1.5
295.19006	19.5
296.19498	1.0
320.22177	4.2
351.21628	48.2
383.24249	44.1
384.24631	2.1
431.18250	1.9
492.23819	1.9
524.30414	1.5
524.81488	1.3
525.30164	2.8
535.69745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31096	1.6
53.68413	1.5
57.03440	11.8
57.38049	1.6
60.68966	1.5
69.03410	2.3
70.05560	7.5
71.04992	59.2
73.02905	6.2
74.41005	1.5
75.04474	4.4
81.07036	3.7
82.67182	1.6
83.04951	4.6
85.02901	76.7
87.04481	2.3
91.05486	8.5
95.04966	2.9
95.08628	1.7
103.05465	5.9
105.07022	2.6
107.04993	3.6
107.08587	1.6
109.10128	1.8
111.04454	1.9
115.05434	2.1
117.05544	1.8
117.07001	2.9
119.04948	7.8
121.06521	3.7
122.03640	5.3
128.06210	2.4
129.05486	19.2
129.06969	4.7
131.04916	9.4
137.05974	100.0
142.22083	1.6
143.08539	2.3
145.06470	1.8
147.04292	1.7
147.06531	3.8
149.05991	4.3
149.09555	1.5
151.07538	45.2
155.08569	1.8
157.06493	5.7
160.05225	1.9
161.05981	14.5
163.07527	30.0
165.07016	1.9
165.09142	3.1
167.08534	2.7
171.08041	3.8
174.06830	2.9
175.07552	22.8
177.05536	8.5
177.09100	36.3
179.07022	2.0
180.60979	1.8
181.06494	2.7
183.08000	2.5
187.07568	2.6
189.09059	15.9
191.07066	4.4
193.08569	2.3
193.10202	2.9
195.08069	9.0
195.10159	13.8
199.07404	2.1
201.09097	3.5
203.07019	4.4
203.10663	4.5
205.08588	2.1
207.10146	5.8
209.09663	2.0
211.07504	2.6
217.08563	4.1
219.10207	6.3
221.05960	2.5
221.09639	4.4
221.11760	7.4
223.07532	1.9
224.08354	1.7
225.09103	6.1
227.10690	9.1
231.10161	2.3
233.11752	2.0
235.09622	2.4
238.06320	1.9
241.08650	1.9
249.11198	4.8
253.08586	6.5
253.12187	6.1
255.10202	11.6
261.11258	2.6
265.08432	2.3
267.09897	1.7
269.08398	1.6
277.08578	2.5
281.11627	2.2
285.11234	6.9
287.12778	12.8
297.11203	3.1
299.12744	5.2
309.11218	2.3
311.12814	10.7
313.14389	10.5
317.11429	2.2
321.11194	2.6
323.12488	3.8
325.14496	1.9
329.14053	2.0
331.15402	71.2
335.12802	5.2
337.14404	3.8
343.15396	22.2
349.14282	4.5
353.14166	1.9
355.15259	7.4
357.17087	2.9
365.13507	2.4
367.15363	25.2
369.16953	2.0
379.15341	3.0
385.16479	16.8
397.16336	5.7
405.17001	3.9
423.18005	10.1
441.19406	8.4
459.20126	3.7
465.42538	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	34.6
57.03434	19.8
57.07076	60.0
60.08149	14.7
67.05498	68.5
70.84428	14.8
70.84759	19.9
71.08614	52.8
79.05487	38.5
81.03399	95.5
81.07055	56.3
83.08601	65.4
85.10185	17.7
86.09700	18.0
91.05483	29.9
93.07033	28.2
95.04987	21.8
95.08604	30.0
95.99786	11.4
97.10183	15.2
104.10732	59.8
105.07030	21.0
106.10114	13.2
109.10156	26.3
124.99966	16.9
129.07011	13.8
157.10103	14.5
163.11255	12.7
184.07333	63.6
193.12196	80.0
267.15823	99.8
313.27356	100.0
477.20090	13.0
505.38757	51.9
523.39819	44.9
524.37122	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	524.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	7.6
59.47037	4.4
69.57804	43.6
70.78761	4.7
71.04996	40.1
79.05466	6.4
81.07055	6.5
85.02907	48.4
91.05470	12.8
97.02827	5.6
105.06990	8.1
107.04969	5.7
107.08598	6.2
109.10200	4.8
110.81493	4.4
115.05475	4.9
115.84907	5.1
119.04909	12.4
119.08710	5.2
129.00540	4.7
129.05450	21.2
131.04909	9.0
133.10127	39.1
134.10448	23.2
135.08043	7.0
137.05969	64.1
137.09595	12.6
138.09915	11.8
145.06401	6.4
147.06506	6.6
149.05916	11.0
151.07545	68.0
153.01808	35.8
154.02142	12.9
157.06488	11.0
161.05949	8.8
163.07542	26.9
164.09232	8.0
167.08507	6.3
175.07550	11.1
177.09116	23.4
189.09085	21.1
191.14291	13.7
192.14665	7.9
193.06499	5.9
195.07965	10.6
210.26163	5.8
221.05991	6.2
221.09628	7.6
223.07597	5.9
225.09015	6.4
227.10672	19.0
247.49805	5.1
253.08548	8.3
253.12326	9.8
255.10211	13.6
285.11212	12.5
287.12726	36.3
311.12784	6.0
313.14319	37.4
331.15408	100.0
343.15518	6.5
472.21442	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
55.01867	1.4
55.05505	16.7
57.03412	5.9
57.07068	42.1
67.05496	30.5
69.07056	11.7
69.46812	12.9
71.04974	5.3
71.08623	30.4
72.09659	1.4
77.33982	1.5
79.05484	13.6
81.03409	38.5
81.07047	34.3
83.04970	7.9
83.08608	23.7
85.02404	2.4
85.02888	21.8
85.06526	2.3
85.10162	14.7
91.05470	17.4
93.07046	11.6
95.04955	15.0
95.08601	32.1
97.02866	2.0
97.10139	9.2
103.31261	1.7
105.07018	15.6
107.04919	2.4
107.08588	4.5
109.06508	2.8
109.10134	11.9
111.04445	1.6
111.08080	7.8
113.05977	3.4
119.08560	9.2
121.06464	2.0
121.10145	5.4
123.11687	5.7
126.11612	1.3
129.07004	6.2
131.08565	6.1
133.06490	2.4
133.10068	3.5
137.09601	1.9
137.13281	1.8
147.08012	2.7
147.11664	9.5
149.09590	3.2
157.10118	8.2
175.11101	11.1
193.12225	47.2
211.13272	55.2
234.84885	1.4
239.23721	6.4
244.56268	1.4
249.14830	1.9
267.15906	5.5
313.27341	6.9
318.39658	1.4
505.39182	2.6
523.39886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42124	6.7
53.03974	7.1
55.05499	23.5
57.03430	21.0
57.07078	43.3
67.05503	31.7
69.07051	16.6
70.55424	6.9
71.08630	37.8
71.59388	8.6
79.05491	11.9
81.03407	100.0
81.07024	38.9
83.08607	25.8
84.53922	7.4
85.10170	15.9
91.05463	29.4
93.07042	15.8
95.04969	16.0
95.08597	32.0
97.10153	11.7
105.07001	16.5
107.08610	10.1
109.10133	19.7
119.08572	11.9
121.10147	8.7
129.06969	9.4
131.08604	9.0
147.11618	8.5
157.10085	11.5
175.11150	12.3
193.12227	51.9
208.65576	7.9
211.13292	12.5
267.15915	73.3
313.27368	68.8
505.38687	31.6
523.39850	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81433	3.8
53.03939	4.5
54.54354	3.9
55.01867	10.5
55.05503	85.0
55.96731	4.2
57.03428	15.2
57.07064	9.7
62.33489	3.8
65.03930	5.7
65.16302	3.8
67.05499	95.4
68.90955	4.4
69.03411	7.6
69.07056	24.6
69.52410	25.4
69.52814	7.5
71.08617	7.4
72.17434	4.1
79.05486	68.1
81.03396	8.1
81.07050	100.0
83.04964	7.3
83.08612	48.1
91.05470	21.0
93.07029	55.9
95.04938	7.4
95.08594	53.3
96.73779	4.3
97.06508	5.9
97.10155	91.4
105.07014	19.8
107.08590	58.5
109.06504	7.8
109.10134	38.0
111.08078	4.5
117.07001	12.8
119.08544	19.7
121.10145	22.8
123.11680	14.7
125.08743	7.1
125.09622	91.9
131.08574	17.7
133.10100	15.6
135.08026	7.1
135.11705	21.9
143.10635	5.5
145.10092	15.5
147.11702	9.1
149.13260	13.0
159.11644	15.5
161.13252	11.0
163.14738	7.7
173.13235	11.0
175.14713	5.6
189.11189	72.4
227.12756	71.7
228.38531	4.0
243.21027	14.3
245.13802	92.8
248.47311	4.6
261.22141	68.6
279.23312	6.0
306.95343	4.1
317.24854	8.0
335.25797	62.3
431.31360	6.1
487.33893	11.2
505.35095	18.6
523.34937	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	523.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09783	3.1
55.01861	4.5
55.05503	35.5
56.96550	4.5
57.03431	8.6
57.07066	7.8
62.05924	3.4
67.05504	47.4
69.03424	5.1
69.07066	14.6
69.23768	2.9
71.08611	6.3
71.59332	3.5
71.59694	3.2
79.05488	27.7
81.03400	5.5
81.07055	46.9
83.08613	25.5
91.05484	19.4
93.07034	22.3
95.04924	5.1
95.08610	33.7
97.06438	3.4
97.10169	43.0
105.07034	9.1
107.08598	31.2
109.10152	12.9
111.08067	4.3
117.06992	7.3
119.08582	5.6
121.10144	12.2
123.11707	8.1
124.85537	2.7
125.09649	30.7
131.08549	8.3
133.10115	7.3
135.08096	5.4
135.11662	12.6
136.93094	3.7
137.13174	3.0
143.10799	3.3
145.10107	7.1
149.13249	8.6
154.94153	22.1
159.11656	6.1
161.13275	5.1
163.11235	3.9
171.10138	4.2
172.95232	100.0
173.13315	5.0
189.11237	40.5
190.07640	3.4
190.96286	69.5
195.96912	9.2
210.97600	14.1
213.97939	6.1
227.12793	30.6
228.97856	28.6
237.79019	3.0
243.21100	4.3
245.13876	36.0
246.98904	25.6
261.22189	42.5
270.00266	3.8
270.17264	3.1
279.23315	4.2
299.23584	3.9
313.20493	6.5
313.27280	9.5
317.24680	7.2
331.21667	6.5
335.25845	36.6
393.17191	3.6
449.19772	8.8
467.20807	28.0
487.34073	6.5
505.35455	13.2
523.23468	45.9
523.35687	4.3
541.24219	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48431	4.4
53.99441	4.3
54.00275	5.0
55.05492	19.1
56.96550	5.3
67.05502	31.1
69.03421	6.4
69.07059	28.0
69.36362	10.3
69.36761	42.1
79.05492	24.4
81.06573	6.2
81.07056	100.0
81.80264	4.7
83.08593	16.0
85.02898	13.6
85.06545	28.0
86.75764	4.6
91.05473	17.2
93.07047	44.9
94.86890	4.5
94.87685	4.8
95.04966	7.3
95.08605	81.4
97.02890	5.6
97.06490	5.2
97.10139	9.4
98.21480	11.7
98.97579	16.2
99.08079	12.8
105.07005	18.4
107.08609	39.9
109.06444	5.6
109.10149	46.4
116.98647	5.4
117.06985	5.7
119.08572	19.6
121.10149	32.7
123.08091	4.9
123.11699	31.0
127.03855	5.2
128.98553	6.8
131.08598	5.8
133.10124	17.6
135.11674	26.9
137.09537	5.1
137.13231	12.0
145.10117	9.9
147.11661	18.3
149.13219	20.6
149.14256	4.2
153.01831	7.9
153.12784	5.4
155.10672	5.4
159.11667	13.7
161.13229	9.8
163.14804	10.7
166.18567	4.7
168.86247	4.6
169.28157	4.8
173.13260	5.1
175.14835	8.0
177.16426	9.0
177.24583	4.2
179.06882	5.6
187.14847	6.6
195.17458	8.2
213.18631	7.2
219.01819	7.5
237.02873	9.7
255.70456	4.7
289.25305	28.7
295.26465	8.0
304.99829	5.3
307.26279	22.6
325.27521	6.6
349.15256	7.2
361.09326	8.6
463.18448	32.1
523.28253	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57309	3.5
55.05502	18.1
57.07059	6.3
58.00547	3.4
65.88050	4.1
67.05489	27.8
69.07062	25.6
69.69998	3.4
70.11850	19.4
71.04976	5.3
72.20385	3.3
79.05481	22.0
81.03383	4.5
81.07043	100.0
83.08605	11.1
85.02890	11.2
85.06534	18.7
91.05475	15.6
93.07049	44.0
95.04972	8.8
95.08591	70.5
97.02879	7.0
97.06501	5.0
97.10168	7.8
98.20874	6.0
99.08084	11.3
105.06991	24.2
107.08582	38.2
109.10150	42.2
111.08052	5.2
111.11761	4.4
113.09638	5.9
117.07013	5.4
119.08542	20.7
121.10137	22.9
123.11698	29.1
125.09663	4.6
127.11192	4.2
131.08598	9.2
133.10110	18.3
135.11658	26.4
137.09579	4.3
137.13252	9.3
139.11211	5.9
145.10106	9.4
147.11656	22.3
149.13269	18.9
151.11201	4.9
153.01828	10.5
159.11679	5.4
161.13234	10.4
163.14793	9.4
165.12730	7.0
173.13239	5.9
175.14836	11.3
177.16345	8.4
187.14902	4.5
189.16432	5.9
191.18063	4.1
195.17432	5.1
203.17834	4.1
213.18468	7.6
271.24112	9.8
289.25235	24.5
307.26266	20.3
325.27451	9.4
523.28369	12.5
540.80225	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	523.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88103	5.4
55.05498	21.0
57.03423	5.6
57.07058	11.1
65.47116	5.3
66.17207	4.7
67.05499	29.9
69.03419	6.4
69.07068	35.4
71.04968	7.5
71.11081	14.0
77.08644	5.2
79.05481	21.3
81.07049	100.0
83.08604	11.4
85.02884	15.9
85.06520	15.1
91.05463	21.6
93.07034	51.0
95.04950	11.3
95.08591	75.3
97.02884	6.0
97.06540	7.4
97.10148	11.6
99.08078	14.9
105.07035	37.1
107.08580	45.1
109.10139	59.1
111.08078	10.4
111.11702	8.5
116.98609	6.2
117.06982	7.5
119.08563	31.4
121.10152	30.8
123.08083	6.5
123.11666	41.1
131.08568	12.7
133.10107	22.7
135.11679	28.7
137.09616	8.5
137.13235	12.2
139.11176	6.0
145.10126	15.1
147.11678	23.0
149.05992	6.6
149.13223	15.1
153.01834	24.2
158.21194	6.2
159.11679	12.6
161.13231	12.7
163.14781	9.9
165.12703	5.4
176.61392	5.9
177.16399	9.7
189.16365	6.2
189.36890	5.4
193.08578	9.7
193.15929	5.4
195.17424	6.8
213.18517	10.6
227.80330	5.6
238.34773	5.6
271.24170	7.2
277.25241	12.4
289.25211	26.6
295.26239	7.2
307.26288	17.1
325.27115	7.8
351.24857	5.5
394.52872	5.1
433.23978	6.8
523.20416	5.5
523.27740	41.4
END